NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
473194 2jn9 cing 1-original 6 STAR chemical shift



save_assigned_chemical_shifts
   _Saveframe_category assigned_chemical_shifts

   loop_
     _Atom_shift_assign_ID
     _Residue_seq_code
     _Residue_label
     _Atom_name
     _Atom_type
     _Chem_shift_value
     _Chem_shift_value_error
     _Chem_shift_ambiguity_code

1 1 Met CA C 55.03 . 1
4222 1 Met CB C 33.8 . 1
4223 1 Met CG C 30.9 . 1
6500 1 Met CE  C 16.9 . 1
6501 1 Met HE H 2.16 . 1
4226 1 Met HA H 4.11 . 1
4224 1 Met HB2 H 2.12 . 2
4225 1 Met HB3 H 2.12 . 2
4229 1 Met HG3 H 2.59 . 2
4228 1 Met HG2 H 2.59 . 2
7000 2 Val N N 125.8 . 1
7001 2 Val H  H 8.44 . 1
7002 2 Val CA C 62.9 . 1
7003 2 Val CB C 32.1 . 1
7004 2 Val CG1 C 21.3 . 2
7005 2 Val CG2 C 21.1 . 2
7006 2 Val HA H 3.79 . 1
7007 2 Val HB H 1.56 . 1
7008 2 Val HG1 H 0.11 . 2
7009 2 Val HG2 H 0.63 . 2
2 3 Lys H H 8.98 . 1
593 3 Lys HA H 4.65 . 1
594 3 Lys HB2 H 1.83 . 2
595 3 Lys HB3 H 1.83 . 2
596 3 Lys HG2 H 1.45 . 2
597 3 Lys HG3 H 1.45 . 2
598 3 Lys HD2 H 1.67 . 2
599 3 Lys HD3 H 1.635 . 2
600 3 Lys HE2 H 2.98 . 2
601 3 Lys HE3 H 2.98 . 2
3 3 Lys CA C 57.1 . 1
4 3 Lys CB C 36.4 . 1
590 3 Lys CG C 24.7 . 1
591 3 Lys CD C 29.3 . 1
592 3 Lys CE C 41.8 . 1
5 3 Lys N N 124.6 . 1
6 4 Thr H H 7.74 . 1
560 4 Thr HA H 4.31 . 1
7 4 Thr HB H 4.02 . 1
8 4 Thr HG2 H 1.07 . 1
9 4 Thr CA C 64.99 . 1
10 4 Thr CB C 68.7 . 1
11 4 Thr CG2 C 22.2 . 1
12 4 Thr N N 117.9 . 1
13 5 Leu H H 8.46 . 1
1113 5 Leu HA H 4.85 . 1
1114 5 Leu HB3 H 1.25 . 2
1115 5 Leu HB2 H 1.41 . 2
1116 5 Leu HG H 0.93 . 1
1117 5 Leu HD1 H 0.51 . 1
1118 5 Leu HD2 H -0.12 . 1
14 5 Leu CA C 52.7 . 1
15 5 Leu CB C 45.19 . 1
9915 5 Leu CG C 27.61 . 1
9916 5 Leu CD2 C 26.2 . 1
9917 5 Leu CD1 C 22.99 . 1
9918 5 Leu N N 130.6 . 1
2217 6 Arg H H 9.05 . 1
17 6 Arg HA H 5.50 . 1
2215 6 Arg HB2 H 1.40 . 2
2214 6 Arg HB3 H 1.68 . 2
2213 6 Arg HG2 H 1.47 . 2
2212 6 Arg HG3 H 1.20 . 2
2211 6 Arg HD2 H 2.99 . 2
2210 6 Arg HD3 H 3.06 . 2
18 6 Arg CA C 54.35 . 1
19 6 Arg CB C 33.08 . 1
9990 6 Arg CG C 28.2 . 1
9919 6 Arg CD C 43.5 . 1
20 6 Arg N N 123.1 . 1
21 7 Leu H H 8.29 . 1
2216 7 Leu HA H 4.87 . 1
2218 7 Leu HB2 H 1.586 . 2
2219 7 Leu HB3 H 0.93 . 2
2220 7 Leu HG H 1.19 . 1
2221 7 Leu HD1 H 0.23 . 1
2222 7 Leu HD2 H 0.496 . 1
22 7 Leu CA C 52.27 . 1
23 7 Leu CB C 43.8 . 1
9923 7 Leu CG C 25.97 . 1
9924 7 Leu CD1 C 24.5 . 1
9935 7 Leu CD2 C 24.9 . 1
24 7 Leu N N 121.3 . 1
25 8 Asn H H 9.22 . 1
2225 8 Asn HA H 4.58 . 1
2224 8 Asn HB2 H 3.14 . 2
2223 8 Asn HB3 H 3.07 . 2
26 8 Asn CA C 54.18 . 1
27 8 Asn CB C 36.4 . 1
28 8 Asn N N 121.7 . 1
1003 8 Asn ND2 N 115.1 . 1
1004 8 Asn HD21 H 7.02 . 2
1005 8 Asn HD22 H 7.78 . 2
6000 9 Asn CA C 54.8 . 1
6001 9 Asn CB C 38.2 . 1
6002 9 Asn HA H 4.18 . 1
6003 9 Asn HB2 H 3.00 . 2
6003 9 Asn HB3 H 3.10 . 2
6003 9 Asn ND2 N 113.0 . 1
6004 9 Asn HD21 H 6.89 . 2
6005 9 Asn HD22 H 7.61 . 2
31 10 Val H H 8.22 . 1
32 10 Val HA H 4.09 . 1
33 10 Val HB H 2.34 . 1
34 10 Val HG1 H 0.87 . 1
37 10 Val HG2 H 1.00 . 1
38 10 Val CA C 62.82 . 1
39 10 Val CB C 32.45 . 1
40 10 Val CG1 C 20.95 . 1
41 10 Val CG2 C 21.54 . 1
42 10 Val N N 124.5 . 1
43 11 Thr H H 8.496 . 1
44 11 Thr HA H 4.67 . 1
45 11 Thr HB H 4.006 . 1
46 11 Thr HG2 H 1.15 . 1
47 11 Thr CA C 63.83 . 1
48 11 Thr CB C 68.98 . 1
49 11 Thr CG2 C 22.26 . 1
50 11 Thr N N 123.6 . 1
51 12 Leu H H 9.70 . 1
52 12 Leu HA H 4.67 . 1
53 12 Leu HB2 H 1.34 . 2
953 12 Leu HB3 H 1.41 . 2
954 12 Leu HG H 1.483 . 1
955 12 Leu HD1 H 0.676 . 1
956 12 Leu HD2 H 0.83 . 1
54 12 Leu CA C 53.48 . 1
9955 12 Leu CB C 46.06 . 1
9956 12 Leu CG C 26.87 . 1
9957 12 Leu CD1 C 26.04 . 1
9958 12 Leu CD2 C 23.69 . 1
56 12 Leu N N 129.9 . 1
57 13 Glu H H 8.50 . 1
2254 13 Glu HA H 4.85 . 1
2253 13 Glu HB2 H 1.87 . 2
2252 13 Glu HB3 H 1.87 . 2
2251 13 Glu HG2 H 2.00 . 2
2250 13 Glu HG3 H 2.18 . 2
58 13 Glu CA C 54.5 . 1
59 13 Glu CB C 31.6 . 1
6659 13 Glu CG C 36.96 . 1
60 13 Glu N N 121.1 . 1
61 14 Met H H 9.34 . 1
6661 14 Met HA H 4.75 . 1
9661 14 Met HB2 H 1.89 . 2
9663 14 Met HB3 H 2.186 . 2
9662 14 Met HG2 H 2.17 . 2
9664 14 Met HG3 H 1.79 . 2
9665 14 Met HE H 1.288 . 1
62 14 Met CA C 55.38 . 1
63 14 Met CB C 33.823 . 1
9963 14 Met CG C 31.71 . 1
9964 14 Met CE C 16.31 . 1
64 14 Met N N 124.3 . 1
65 15 Ala H H 9.04 . 1
66 15 Ala HA H 4.49 . 1
67 15 Ala HB H 1.402 . 1
68 15 Ala CA C 52.57 . 1
69 15 Ala CB C 19.87 . 1
70 15 Ala N N 125.9 . 1
71 16 Ala H H 7.88 . 1
72 16 Ala HA H 4.526 . 1
73 16 Ala HB H 1.522 . 1
74 16 Ala CA C 52.58 . 1
75 16 Ala CB C 21.4 . 1
76 16 Ala N N 119.4 . 1
77 17 Tyr H H 8.27 . 1
2277 17 Tyr HA H 5.29 . 1
2278 17 Tyr HB2 H 3.23 . 2
2279 17 Tyr HB3 H 2.68 . 2
78 17 Tyr CA C 59.16 . 1
79 17 Tyr CB C 41.7 . 1
80 17 Tyr N N 120.3 . 1
9980 17 Tyr HD1 H 7.17 . 2
9981 17 Tyr HD2 H 7.17 . 2
9081 17 Tyr HE1 H 6.64 . 2
9082 17 Tyr HE2 H 6.64 . 2
9100 17 Tyr CD1 C 133.1 . 2
9101 17 Tyr CD2 C 133.1 . 2
9100 17 Tyr CE1 C 118.0 . 2
9101 17 Tyr CE2 C 118.0 . 2
81 18 Gln H H 8.61 . 1
2280 18 Gln HA H 4.35 . 1
2281 18 Gln HB2 H 2.02 . 2
2282 18 Gln HB3 H 1.89 . 2
2283 18 Gln HG2 H 2.32 . 2
2284 18 Gln HG3 H 2.32 . 2
82 18 Gln CA C 54.92 . 1
83 18 Gln CB C 32.57 . 1
9983 18 Gln CG  C 33.91 . 1
84 18 Gln N N 128.0 . 1
1000 18 Gln NE2 N 112.3 . 1
1001 18 Gln HE21 H 7.583 . 2
1002 18 Gln HE22 H 6.80 . 2
2285 19 Glu H H 8.37 . 1
2286 19 Glu HA H 5.015 . 1
2287 19 Glu HB2 H 2.05 . 2
2288 19 Glu HB3 H 2.00 . 2
2289 19 Glu HG2 H 2.05 . 2
2290 19 Glu HG3 H 2.17 . 2
85 19 Glu CA C 54.7 . 1
86 19 Glu CB C 34.8 . 1
2291 19 Glu CG C 36.5 . 1
87 19 Glu N N 122.9 . 1
88 20 Glu H H 8.92 . 1
2297 20 Glu HA H 4.74 . 1
2296 20 Glu HB2 H 1.87 . 2
2295 20 Glu HB3 H 2.165 . 2
2294 20 Glu HG2 H 2.25 . 2
2293 20 Glu HG3 H 2.28 . 2
89 20 Glu CA C 55.1 . 1
90 20 Glu CB C 33.8 . 1
2292 20 Glu CG C 36.2 . 1
91 20 Glu N N 123.3 . 1
92 21 Ser H H 9.07 . 1
93 21 Ser HA H 4.43 . 1
94 21 Ser HB2 H 3.76 . 2
95 21 Ser HB3 H 3.83 . 2
96 21 Ser CA C 59.3 . 1
97 21 Ser CB C 65.0 . 1
98 21 Ser N N 114.8 . 1
99 22 Glu H H 7.67 . 1
2298 22 Glu HA H 4.50 . 1
2299 22 Glu HB2 H 1.95 . 2
2300 22 Glu HB3 H 1.81 . 2
2301 22 Glu HG2 H 2.16 . 2
2302 22 Glu HG3 H 2.16 . 2
100 22 Glu CA C 53.1 . 1
101 22 Glu CB C 31.75 . 1
1101 22 Glu CG C 35.4 . 1
102 22 Glu N N 119.913 . 1
522 23 Pro HA H 4.636 . 1
103 23 Pro HB2 H 2.16 . 2
104 23 Pro HB3 H 2.42 . 2
105 23 Pro HG2 H 1.81 . 2
106 23 Pro HG3 H 2.05 . 2
107 23 Pro HD2 H 3.84 . 2
108 23 Pro HD3 H 3.48 . 2
523 23 Pro CA C 64.2 . 1
524 23 Pro CB C 34.2 . 1
109 23 Pro CG C 25.07 . 1
110 23 Pro CD C 50.03 . 1
1000 24 Lys H H   7.37 . 1
1001 24 Lys HA H   4.48 . 1
1002 24 Lys HB2 H   1.48 . 2
1003 24 Lys HB3 H   1.77 . 2
1004 24 Lys HG2 H   1.25 . 2
1005 24 Lys HG3 H   1.34 . 2
1006 24 Lys HD2 H   1.63 . 2
1007 24 Lys HD3 H   1.71 . 2
1008 24 Lys HE2 H   2.97 . 2
1009 24 Lys HE3 H   2.97 . 2
1010 24 Lys N N 119.4 . 1
111 24 Lys CA C 54.2 . 1
112 24 Lys CB C 36.4 . 1
1111 24 Lys CG C 24.7 . 1
1112 24 Lys CD C 29.4 . 1
1113 24 Lys CE C 42.0 . 1
113 25 Arg H H 8.73 . 1
1114 25 Arg HA H 4.47 . 1
1115 25 Arg HB2 H 1.17 . 2
1116 25 Arg HB3 H 1.443 . 2
1117 25 Arg HG3 H 1.37 . 2
1118 25 Arg HG2 H 1.135 . 2
1119 25 Arg HD3 H 3.08 . 2
1120 25 Arg HD2 H 2.75 . 2
114 25 Arg CA C 57.0 . 1
115 25 Arg CB C 28.9 . 1
1121 25 Arg CG C 26.7 . 1
1122 25 Arg CD C 43.23 . 1
116 25 Arg N N 121.9 . 1
1123 26 Lys N N 124.5 . 1
1124 26 Lys H H 8.22 . 1
1125 26 Lys HA H 5.27 . 1
1126 26 Lys HB2 H 1.64 . 2
1127 26 Lys HB3 H 1.54 . 2
1128 26 Lys HG2 H 1.09 . 2
1129 26 Lys HG3 H 1.43 . 2
1130 26 Lys HD2 H 1.466 . 2
1131 26 Lys HD3 H 1.466 . 2
1132 26 Lys HE2 H 2.719 . 2
1133 26 Lys HE3 H 2.74 . 2
1134 26 Lys CA C 55.0 . 1
118 26 Lys CB C 36.9 . 1
1135 26 Lys CG C 24.0 . 1
1136 26 Lys CD C 29.86 . 1
1137 26 Lys CE C 41.9 . 1
119 27 Ile H H 9.10 . 1
120 27 Ile HA H 5.32 . 1
121 27 Ile HB H 2.04 . 1
122 27 Ile HG12 H 1.93 . 2
123 27 Ile HG13 H 1.35 . 2
124 27 Ile HG2 H 1.18 . 1
125 27 Ile HD1 H 0.89 . 1
126 27 Ile CA C 59.0 . 1
127 27 Ile CB C 42.48 . 1
570 27 Ile CG2 C 18.6 . 1
9570 27 Ile CG1 C 26.1 . 1
128 27 Ile CD1 C 15.33 . 1
129 27 Ile N N 116.4 . 1
130 28 Ala H H 8.73 . 1
131 28 Ala HA H 5.46 . 1
132 28 Ala HB H 1.313 . 1
133 28 Ala CA C 50.6 . 1
134 28 Ala CB C 21.96 . 1
135 28 Ala N N 124.9 . 1
136 29 Phe H H 8.75 . 1
550 29 Phe HA H 5.42 . 1
551 29 Phe HB2 H 3.45 . 2
552 29 Phe HB3 H 3.59 . 2
137 29 Phe CA C 55.68 . 1
138 29 Phe CB C 43.1 . 1
139 29 Phe N N 118.8 . 1
9000 29 Phe HD1 H 6.78 . 2
9001 29 Phe HD2 H 6.78 . 2
9100 29 Phe CD1 C 132.4 . 2
9101 29 Phe CD2 C 132.4 . 2
140 30 Thr H H 7.98 . 1
141 30 Thr HA H 5.69 . 1
142 30 Thr HB H 3.965 . 1
143 30 Thr HG2 H 1.15 . 1
144 30 Thr CA C 59.9 . 1
145 30 Thr CB C 71.13 . 1
146 30 Thr CG2 C 22.6 . 1
147 30 Thr N N 114.1 . 1
148 31 Leu H H 9.36 . 1
3140 31 Leu HA H 5.02 . 1
3141 31 Leu HB2 H 1.58 . 2
3142 31 Leu HB3 H 1.67 . 2
3143 31 Leu HG H 1.835 . 1
3144 31 Leu HD1 H 0.96 . 1
3145 31 Leu HD2 H 1.01 . 1
149 31 Leu CA C 52.99 . 1
150 31 Leu CB C 45.4 . 1
3146 31 Leu CG C 26.81 . 1
3147 31 Leu CD1 C 26.4 . 1
3148 31 Leu CD2 C 24.06 . 1
151 31 Leu N N 125.3 . 1
152 32 Asn H H 9.16 . 1
153 32 Asn HA H 5.21 . 1
154 32 Asn HB2 H 2.542 . 2
155 32 Asn HB3 H 2.722 . 2
156 32 Asn CA C 52.66 . 1
157 32 Asn CB C 38.6 . 1
158 32 Asn N N 123.6 . 1
1008 32 Asn ND2 N 109.1 . 1
1007 32 Asn HD21 H 7.30 . 2
1006 32 Asn HD22 H 6.63 . 2
159 33 Val HA H 4.08 . 1
160 33 Val HB H 1.67 . 1
161 33 Val HG2 H 0.195 . 1
162 33 Val HG1 H 0.73 . 1
163 33 Val CA C 61.94 . 1
164 33 Val CB C 34.6 . 1
165 33 Val CG2 C 20.68 . 1
166 33 Val CG1 C 21.68 . 1
9166 33 Val N  N 124.5 . 1
9167 33 Val H H 8.88 . 1
167 34 Thr H H 7.65 . 1
168 34 Thr HA H 5.13 . 1
169 34 Thr HB H 4.792 . 1
170 34 Thr HG2 H 1.25 . 1
171 34 Thr CA C 59.2 . 1
172 34 Thr CB C 72.83 . 1
173 34 Thr CG2 C 21.780 . 1
174 34 Thr N N 114.3 . 1
175 35 Ser H H 9.33 . 1
176 35 Ser HA H 4.02 . 1
177 35 Ser HB2 H 3.88 . 2
6677 35 Ser HB3 H 3.97 . 2
178 35 Ser CA C 62.0 . 1
179 35 Ser CB C 62.4 . 1
180 35 Ser N N 116.2 . 1
1177 36 Glu H H 8.36 . 1
1178 36 Glu HA H 4.33 . 1
1179 36 Glu HB2 H 2.05 . 2
1180 36 Glu HB3 H 2.11 . 2
1181 36 Glu HG2 H 2.365 . 2
1182 36 Glu HG3 H 2.365 . 2
182 36 Glu CA C 58.9 . 1
183 36 Glu CB C 30.2 . 1
1183 36 Glu CG C 36.96 . 1
184 36 Glu N N 119.2 . 1
185 37 Thr H H 7.58 . 1
186 37 Thr HA H 4.65 . 1
187 37 Thr HB H 4.6 . 1
188 37 Thr HG2 H 1.24 . 1
189 37 Thr CA C 61.62 . 1
190 37 Thr CB C 70.63 . 1
191 37 Thr CG2 C 22.52 . 1
192 37 Thr N N 108.8 . 1
6500 38 Tyr H H 7.99 . 1
6501 38 Tyr HA H 3.89 . 1
6502 38 Tyr HB2 H 3.12 . 2
6503 38 Tyr HB3 H 2.86 . 2
6504 38 Tyr CA C 61.98 . 1
6505 38 Tyr CB C 38.6 . 1
6506 38 Tyr N N 121.7 . 1
9200 38 Tyr HD1 H 6.88 . 2
9201 38 Tyr HD2 H 6.88 . 2
9202 38 Tyr HE1 H 6.78 . 2
9203 38 Tyr HE2 H 6.78 . 2
9204 38 Tyr CD1 C 133.0 . 2
9205 38 Tyr CD2 C 133.0 . 2
9206 38 Tyr CE1 C 118.2 . 2
9207 38 Tyr CE2 C 118.2 . 2
193 39 His CA C 60.45 . 1
194 39 His CB C 28.35 . 1
1190 39 His HA H 3.95 . 1
1191 39 His HB2 H 3.246 . 2
9192 39 His N N 116.4 . 1
9193 39 His H H 8.77 . 1
1192 39 His HB3 H 3.21 . 2
7800 39 His CE1 C 136.2 . 1
7801 39 His HE1 H 8.46 . 1
195 40 Asp H H 8.18 . 1
1193 40 Asp HA H 4.28 . 1
1194 40 Asp HB2 H 2.66 . 2
1195 40 Asp HB3 H 2.78 . 2
196 40 Asp CA C 57.23 . 1
197 40 Asp CB C 39.98 . 1
198 40 Asp N N 117.2 . 1
199 41 Ile H H 7.70 . 1
1196 41 Ile HA H 3.74 . 1
1197 41 Ile HB H 1.80 . 1
1198 41 Ile HG13 H 1.21 . 2
1199 41 Ile HG12 H 1.56 . 2
1200 41 Ile HG2 H 0.63 . 1
1201 41 Ile HD1 H 0.75 . 1
200 41 Ile N N 120.6 . 1
1202 41 Ile CA C 63.4 . 1
1203 41 Ile CB C 37.0 . 1
1204 41 Ile CG1 C 29.14 . 1
1205 41 Ile CG2 C 17.75 . 1
1206 41 Ile CD1 C 12.06 . 1
201 42 Ala H H 8.63 . 1
202 42 Ala HA H 3.79 . 1
203 42 Ala HB H 1.13 . 1
204 42 Ala CA C 55.78 . 1
205 42 Ala CB C 17.4 . 1
206 42 Ala N N 122.9 . 1
207 43 Val H H 7.65 . 1
35 43 Val HA H 3.39 . 1
208 43 Val HB H 1.96 . 1
209 43 Val HG2 H 0.79 . 1
210 43 Val HG1 H 0.86 . 1
36 43 Val CA C 65.7 . 1
211 43 Val CB C 31.74 . 1
212 43 Val CG2 C 22.28 . 1
213 43 Val CG1 C 21.45 . 1
214 43 Val N N 114.6 . 1
215 44 Leu H H 7.25 . 1
1207 44 Leu HA H 4.30 . 1
1208 44 Leu HB2 H 2.10 . 2
1209 44 Leu HB3 H 1.726 . 2
1210 44 Leu HG H 1.61 . 1
1211 44 Leu HD2 H 0.91 . 1
1212 44 Leu HD1 H 1.04 . 1
216 44 Leu N N 122.8 . 1
1213 44 Leu CA C 57.9 . 1
1214 44 Leu CB C 42.25 . 1
1215 44 Leu CG C 27.1 . 1
1216 44 Leu CD2 C 26.04 . 1
1217 44 Leu CD1 C 23.57 . 1
7890 45 Leu H H 8.06 . 1
8392    45      Leu HA  H       4.43    .       1
8391    45      Leu HB2 H       1.67    .       2
8390    45      Leu HB3 H       1.60    .       2
8389    45      Leu HG  H       1.58    .       1
8388    45      Leu HD1 H       0.90    .       1
8387    45      Leu HD2 H       0.84    .       1
8382    45      Leu CA  C       55.2    .       1
8383    45      Leu CB  C       41.6    .       1
8384    45      Leu CG  C       26.9    .       1
8385    45      Leu CD1 C       25.06   .       1
8386    45      Leu CD2 C       23.7    .       1
379     46      Tyr H   H       8.04    .       1
8400    46      Tyr CA  C       56.9    .       1
8401    46      Tyr CB  C       40.5    .       1
8403    46      Tyr HA  H       5.38    .       1
8404    46      Tyr HB2 H       3.42    .       2
8405    46      Tyr HB3 H       2.90    .       2
380     46      Tyr N   N       122.7   .       1
7330    46      Tyr HD1 H       6.96    .       2
7331    46      Tyr HD2 H       6.96    .       2                      
6410    46      Tyr HE1 H       6.48    .       2
6411    46      Tyr HE2 H       6.48    .       2                      
6400 46 Tyr CE1 C 117.6 . 2
6401 46 Tyr CE2 C 117.6 . 2
6402 46 Tyr CD1 C 132.8 . 2
6403 46 Tyr CD2 C 132.8 . 2
4000    47      Glu HA  H       4.00    .       1
4001    47      Glu HB2 H       1.94    .       2
4002    47      Glu HB3 H       2.06    .       2
4003    47      Glu HG2 H       2.36    .       2
4004    47      Glu HG3 H       2.57    .       2
4005    47      Glu CA  C       57.7    .       1
4006    47      Glu CB  C       29.8    .       1
4007    47      Glu CG  C       36.9    .       1
220 48 Lys HA H 4.66 . 1
221 48 Lys HB2 H 1.79 . 2
222 48 Lys HB3 H 1.79 . 2
223 48 Lys HG2 H 1.44 . 2
224 48 Lys HG3 H 1.49 . 2
9225 48 Lys HD2 H 1.65 . 2
9226 48 Lys HD3 H 1.65 . 2
225 48 Lys HE2 H 2.93 . 2
226 48 Lys HE3 H 2.93 . 2
227 48 Lys CA C 57.45 . 1
228 48 Lys CB C 36.8 . 1
229 48 Lys CG C 25.6 . 1
9505 48 Lys CD C 29.28 . 1
9506 48 Lys CE C 41.9 . 1
231 49 Thr H H 7.54 . 1
232 49 Thr HA H 4.83 . 1
233 49 Thr HB H 3.785 . 1
234 49 Thr HG2 H 1.096 . 1
235 49 Thr CA C 60.36 . 1
236 49 Thr CB C 70.85 . 1
6320 49 Thr CG2 C 22.11 . 1
237 49 Thr N N 115.8 . 1
238 50 Phe H H 9.03 . 1
239 50 Phe HA H 5.15 . 1
240 50 Phe HB2 H 2.76 . 2
241 50 Phe HB3 H 2.32 . 2
242 50 Phe CA C 55.68 . 1
243 50 Phe CB C 44.22 . 1
244 50 Phe N N 118.3 . 1
9003 50 Phe HD1 H 6.82 . 2
9004 50 Phe HD2 H 6.82 . 2
7300 50 Phe CD1 C 132.3 . 2
7301 50 Phe CD2 C 132.3 . 2
7303 50 Phe HE1 H 7.32 . 2
7304 50 Phe HE2 H 7.32 . 2
7305 50 Phe CE1 C 131.1 . 2
7306 50 Phe CE2 C 131.1 . 2
245 51 Asn H H 8.81 . 1
246 51 Asn N N 121.1 . 1
6302 51 Asn CA C 53.96 . 1
6303 51 Asn CB C 37.9 . 1
6304 51 Asn HA H 4.92 . 1
6305 51 Asn HB2 H 2.83 . 2
6306 51 Asn HB3 H 2.83 . 2
1009 51 Asn ND2 N 114.9 . 1
1010 51 Asn HD21 H 7.77 . 2
1011 51 Asn HD22 H 7.00 . 2
247 52 Val HA H 4.37 . 1
248 52 Val HB H 0.94 . 1
249 52 Val HG1 H 0.36 . 1
250 52 Val HG2 H 0.504 . 1
251 52 Val CA C 61.66 . 1
252 52 Val CB C 32.59 . 1
253 52 Val CG1 C 21.95 . 1
254 52 Val CG2 C 21.49 . 1
6300 52 Val N N 129.3 . 1
6301 52 Val H H 9.14 . 1
255 53 Glu H H 9.02 . 1
6255 53 Glu HA H 5.09 . 1
6256 53 Glu HB2 H 1.847 . 2
6257 53 Glu HB3 H 1.62 . 2
6258 53 Glu HG2 H 2.13 . 2
6259 53 Glu HG3 H 2.25 . 2
256 53 Glu CA C 55.5 . 1
257 53 Glu CB C 31.94 . 1
6260 53 Glu CG C 36.6 . 1
258 53 Glu N N 125.4 . 1
259 54 Val H H 8.84 . 1
260 54 Val HA H 4.68 . 1
261 54 Val HB H 2.24 . 1
262 54 Val HG1 H 0.65 . 1
263 54 Val HG2 H 0.86 . 1
264 54 Val CA C 58.9 . 1
265 54 Val CB C 31.9 . 1
540 54 Val CG1 C 22.53 . 1
541 54 Val CG2 C 19.6 . 1
266 54 Val N N 123.1 . 1
267 55 Pro HA H 4.48 . 1
268 55 Pro HB2 H 2.035 . 2
269 55 Pro HB3 H 2.37 . 2
270 55 Pro HG2 H 2.025 . 2
271 55 Pro HG3 H 1.875 . 2
525 55 Pro HD2 H 3.24 . 2
526 55 Pro HD3 H 3.77 . 2
272 55 Pro CA C 65.72 . 1
273 55 Pro CB C 32.04 . 1
527 55 Pro CG C 27.26 . 1
528 55 Pro CD C 50.52 . 1
274 56 Glu H H 10.05 . 1
275 56 Glu HA H 4.145 . 1
276 56 Glu HB2 H 2.22 . 2
277 56 Glu HB3 H 1.97 . 2
278 56 Glu HG2 H 2.33 . 2
8278 56 Glu HG3 H 2.33 . 2
279 56 Glu CA C 58.58 . 1
280 56 Glu CB C 30.00 . 1
8280 56 Glu CG C 37.9 . 1
281 56 Glu N N 118.00 . 1
282 57 Arg H H 7.55 . 1
283 57 Arg HA H 4.48 . 1
284 57 Arg HB2 H 1.524 . 2
285 57 Arg HB3 H 2.346 . 2
8285 57 Arg HG2 H 1.836 . 2
8286 57 Arg HG3 H 1.24 . 2
8287 57 Arg HD2 H 3.22 . 2
8288 57 Arg HD3 H 3.27 . 2
286 57 Arg CA C 52.56 . 1
287 57 Arg CB C 29.99 . 1
8281 57 Arg CG C 26.02 . 1
8282 57 Arg CD C 40.5 . 1
288 57 Arg N N 116.4 . 1
289 58 Asp H H 7.92 . 1
290 58 Asp HA H 4.25 . 1
291 58 Asp HB2 H 2.54 . 2
292 58 Asp HB3 H 3.04 . 2
293 58 Asp CA C 55.42 . 1
294 58 Asp CB C 39.86 . 1
295 58 Asp N N 118.4 . 1
296 59 Leu H H 6.93 . 1
297 59 Leu HA H 4.77 . 1
298 59 Leu HB2 H 1.64 . 2
299 59 Leu HB3 H 1.43 . 2
300 59 Leu HG H 1.502 . 1
301 59 Leu HD1 H 0.93 . 1
302 59 Leu HD2 H 0.901 . 1
303 59 Leu CA C 53.83 . 1
304 59 Leu CB C 45.8 . 1
305 59 Leu CG C 27.17 . 1
7305 59 Leu CD1 C 23.98 . 1
306 59 Leu CD2 C 25.06 . 1
307 59 Leu N N 116.5 . 1
308 60 Ala H H 8.69 . 1
309 60 Ala HA H 5.353 . 1
310 60 Ala HB H 1.392 . 1
311 60 Ala CA C 52.02 . 1
312 60 Ala CB C 21.06 . 1
313 60 Ala N N 130.0 . 1
314 61 Phe H H 8.47 . 1
315 61 Phe HA H 4.933 . 1
316 61 Phe HB2 H 3.18 . 2
317 61 Phe HB3 H 3.379 . 2
318 61 Phe CA C 56.5 . 1
319 61 Phe CB C 39.72 . 1
320 61 Phe N N 117.5 . 1
9320 61 Phe HD1 H 6.89 . 2
9321 61 Phe HD2 H 6.89 . 2
9401 61 Phe HE1 H 6.91 . 2
9402 61 Phe HE2 H 6.91 . 2
9403 61 Phe CD1 C 132.6 . 2
9404 61 Phe CD2 C 132.6 . 2
9444 61 Phe CE1 C 129.8 . 2
9445 61 Phe CE2 C 129.8 . 2
321 62 Arg H H 9.27 . 1
322 62 Arg HA H 5.29 . 1
323 62 Arg HB2 H 1.86 . 2
324 62 Arg HB3 H 2.03 . 2
325 62 Arg HG2 H 1.66 . 2
326 62 Arg HG3 H 1.59 . 2
327 62 Arg HD2 H 3.26 . 2
328 62 Arg HD3 H 3.17 . 2
329 62 Arg CA C 54.95 . 1
330 62 Arg CB C 30.8 . 1
9330 62 Arg CG C 27.51 . 1
331 62 Arg CD C 43.3 . 1
332 62 Arg N N 122.5 . 1
333 63 Gly H H 9.37 . 1
334 63 Gly CA C 45.0 . 1
7334 63 Gly HA2 H 5.44 . 2
7335 63 Gly HA3 H 3.46 . 2
335 63 Gly N N 112.7 . 1
336 64 Glu H H 9.09 . 1
7339 64 Glu HA H 5.41 . 1
7340 64 Glu HB2 H 1.97 . 2
7341 64 Glu HB3 H 2.06 . 2
7342 64 Glu HG2 H 2.18 . 2
7343 64 Glu HG3 H 2.20 . 2
7336 64 Glu CA C 53.16 . 1
7337 64 Glu CB C 33.5 . 1
7338 64 Glu CG C 35.0 . 1
337 64 Glu N N 118.4 . 1
338 65 Met H H 9.32 . 1
8338 65 Met HA H 5.07 . 1
8339 65 Met HB2 H 2.04 . 2
8340 65 Met HB3 H 2.50 . 2
8341 65 Met HG2 H 2.66 . 2
8342 65 Met HG3 H 2.46 . 2
8343 65 Met HE H 2.0 . 1
339 65 Met CA C 56.7 . 1
340 65 Met CB C 34.5 . 1
8344 65 Met CG C 31.48 . 1
8345 65 Met CE C 16.87 . 1
341 65 Met N N 124.9 . 1
342 66 Thr H H 8.97 . 1
343 66 Thr HA H 4.48 . 1
344 66 Thr HB H 4.44 . 1
345 66 Thr HG2 H 1.24 . 1
346 66 Thr CA C 61.97 . 1
347 66 Thr CB C 69.16 . 1
348 66 Thr CG2 C 23.4 . 1
349 66 Thr N N 120.3 . 1
350 67 Asn H H 7.85 . 1
8350 67 Asn HA H 4.85 . 1
8351 67 Asn HB2 H 2.54 . 2
8352 67 Asn HB3 H 2.70 . 2
351 67 Asn CA C 54.24 . 1
352 67 Asn CB C 41.9 . 1
353 67 Asn N N 119.2 . 1
1012 67 Asn ND2 N 111.7 . 1
1013 67 Asn HD21 H 6.80 . 2
1014 67 Asn HD22 H 7.43 . 2
354 68 Tyr H H 8.72 . 1
355 68 Tyr CA C 54.6 . 1
356 68 Tyr CB C 41.18 . 1
9356 68 Tyr HA H 4.611 . 1
9357 68 Tyr HB2 H 2.688 . 2
9358 68 Tyr HB3 H 2.688 . 2
357 68 Tyr N N 123.2 . 1
358 69 Ser H H 8.16 . 1
9350 69 Ser CB C  65.0 . 1
359 69 Ser CA C 58.913 . 1
9354 69 Ser HA H 4.45 . 1
9352 69 Ser HB2 H 3.88 . 2
9353 69 Ser HB2 H 3.96 . 2
360 69 Ser N N 115.0 . 1
361 70 Thr H H 8.25 . 1
362 70 Thr HA H 4.20 . 1
363 70 Thr HB H 4.045 . 1
364 70 Thr HG2 H 1.12 . 1
8365 70 Thr CA C 62.2 . 1
365 70 Thr CB C 70.06 . 1
366 70 Thr CG2 C 21.263 . 1
367 70 Thr N N 111.0 . 1
9006 71 Ser CA C 58.1 . 1
9007 71 Ser CB C 63.6 . 1
9008 71 Ser HA H 4.61 . 1
9009 71 Ser HB2 H 4.11 . 2
9010 71 Ser HB3 H 4.14 . 2
9000 72 Leu N N 122.3 . 1
9001 72 Leu H H 8.29 . 1
9002 72 Leu CA C 56.5 . 1
9102 72 Leu CB C 40.6 . 1
9303 72 Leu CG C 26.5 . 1
9302 72 Leu CD1 C 26.5 . 2
9304 72 Leu CD2 C 21.1 . 2
9003 72 Leu HA H 4.30 . 1
9203 72 Leu HB2 H 1.73 . 2
9204 72 Leu HB3 H 1.41 . 2
9206 72 Leu HD1 H 0.67 . 2
9207 72 Leu HD2 H 0.60 . 2
376 73 Thr H H 8.00 . 1
368 73 Thr HA H 5.11 . 1
369 73 Thr HB H 4.05 . 1
370 73 Thr HG2 H 0.51 . 1
371 73 Thr CA C 59.3 . 1
372 73 Thr CB C 71.95 . 1
373 73 Thr CG2 C 20.6 . 1
374 74 Asn H H 8.37 . 1
8378 74 Asn HA H 4.66 . 1
8379 74 Asn HB2 H 2.80 . 2
8380 74 Asn HB3 H 2.70 . 2
8375 74 Asn N N 121.5 . 1
8376 74 Asn CA C 52.78 . 1
8377 74 Asn CB C 38.36 . 1
1015 74 Asn ND2 N 112.1 . 1
1016 74 Asn HD21 H 6.97 . 2
1017 74 Asn HD22 H 7.64 . 2
217     75      Leu H   H       8.02    .       1
1218    75      Leu HA  H       3.97    .       1
1219    75      Leu HB2 H       1.12    .       2
1220    75      Leu HB3 H       1.17    .       2
1221    75      Leu HG  H       1.24    .       1
1222    75      Leu HD1 H       0.52    .       1
1223    75      Leu HD2 H       0.50    .       1
1224    75      Leu CA  C       55.5    .       1
1225    75      Leu CB  C       41.8    .       1
1226    75      Leu CG  C       26.7    .       1
1227    75      Leu CD1 C       24.9    .       1
1229    75      Leu CD2 C       23.7    .       1
1228    75      Leu N   N       123.2   .       1
6354    76      Tyr H   H       7.93    .       1
6355    76      Tyr CA  C       58.0    .       1
6356    76      Tyr CB  C       37.7    .       1
6359    76      Tyr HA  H       4.45    .       1
6357    76      Tyr HB2 H       3.16    .       2
6358    76      Tyr HB3 H       2.90    .       2
6360    76      Tyr N   N       116.1   .       1
6361    76      Tyr HD1 H       7.06    .       2
6362    76      Tyr HD2 H       7.06    .       2
6363    76      Tyr HE1 H       6.77    .       2
6364    76      Tyr HE2 H       6.77    .       2
6365    76      Tyr CD1 C       133.1   .       2
6366    76      Tyr CD2 C       133.1   .       2
6367    76      Tyr CE1 C       118.0   .       2
6368    76      Tyr CE2 C       118.0   .       2
1229    77      Glu CA  C       53.7    .       1
1230    77      Glu CB  C       30.2    .       1
1231    77      Glu CG  C       35.8    .       1
1232    77      Glu HA  H       4.65    .       1
1233    77      Glu HB2 H       2.02    .       2
1234    77      Glu HB3 H       1.88    .       2
1235    77      Glu HG2 H       2.216   .       2
1236    77      Glu HG3 H       2.216   .       2
6369    77      Glu H   H       7.41    .       1
6370    77      Glu N   N       122.3   .       1
381 78 Pro HA H 4.34 . 1
382 78 Pro HB2 H 2.27 . 2
383 78 Pro HB3 H 1.93 . 2
384 78 Pro HG2 H 1.99 . 2
385 78 Pro HG3 H 2.13 . 2
386 78 Pro HD2 H 3.71 . 2
387 78 Pro HD3 H 3.92 . 2
388 78 Pro CA C 64.0 . 1
389 78 Pro CB C 31.74 . 1
529 78 Pro CG C 27.77 . 1
390 78 Pro CD C 50.88 . 1
391 79 Gly H H 8.98 . 1
392 79 Gly HA2 H 3.822 . 2
393 79 Gly HA3 H 4.09 . 2
394 79 Gly CA C 45.57 . 1
395 79 Gly N N 112.3 . 1
396 80 Ala H H 7.67 . 1
397 80 Ala HA H 4.30 . 1
398 80 Ala HB H 1.41 . 1
399 80 Ala CA C 52.88 . 1
400 80 Ala CB C 20.67 . 1
401 80 Ala N N 123.2 . 1
542 81 Val H H 8.28 . 1
543 81 Val HA H 4.41 . 1
544 81 Val HB H 1.905 . 1
545 81 Val HG1 H 0.88 . 2
546 81 Val HG2 H 0.81 . 2
547 81 Val CA C 61.54 . 1
548 81 Val CB C 34.0 . 1
549 81 Val CG1 C 20.97 . 2
550 81 Val CG2 C 21.34 . 2
580 82 Ser CA C 57.18 . 1
581 82 Ser CB C 65.2 . 1
582 82 Ser HA H 4.685 . 1
583 82 Ser HB2 H 3.62 . 2
584 82 Ser HB3 H 3.69 . 2
3220 82 Ser N N 122.0 . 1
3223 82 Ser H H 8.97 . 1
585 83 Glu H H 8.36 . 1
9583 83 Glu HA H 4.50 . 1
9584 83 Glu HB2 H 1.95 . 2
9585 83 Glu HB3 H 1.81 . 2
9582 83 Glu HG2 H 2.15 . 2
9581 83 Glu HG3 H 2.15 . 2
586 83 Glu CA C 53.02 . 1
587 83 Glu CB C 31.8 . 1
9587 83 Glu CG C 35.4 . 1
588 83 Glu N N 122.8 . 1
7600 84 Phe CA C 54.84 . 1
7601 84 Phe CB C 40.69 . 1
7602 84 Phe HA H 4.92 . 1
7603 84 Phe HB2 H 2.80 . 2
7604 84 Phe HB3 H 3.12 . 2
8400 84 Phe HD1 H 7.03 . 2
8401 84 Phe HD2 H 7.03 . 2
7322 84 Phe CD1 C 130.0 . 2
7323 84 Phe CD2 C 130.0 . 2
7324 84 Phe HE1 H 7.20 . 2
7325 84 Phe HE2 H 7.20 . 2
7326 84 Phe CE1 C 131.3 . 2
7327 84 Phe CE2 C 131.3 . 2
9800 84 Phe CZ C 130.6 . 1
9801 84 Phe HZ H 7.03 . 1
3200 84 Phe N N 123.8 . 1
3201 84 Phe H H 9.16 . 1
7605 85 Tyr CA C 56.19 . 1
7606 85 Tyr CB C 37.8 . 1
7607 85 Tyr HA H 5.05 . 1
7608 85 Tyr HB2 H 2.83 . 2
7609 85 Tyr HB3 H 2.83 . 2
7610 85 Tyr N N 123.6 . 2
7611 85 Tyr H H 8.81 . 2
9208 85 Tyr HD1 H 6.95 . 2
9209 85 Tyr HD2 H 6.95 . 2
9210 85 Tyr HE1 H 6.55 . 2
9211 85 Tyr HE2 H 6.55 . 2
9212 85 Tyr CD1 C 133.2 . 2
9213 85 Tyr CD2 C 133.2 . 2
9214 85 Tyr CE1 C 118.2 . 2
9215 85 Tyr CE2 C 118.2 . 2
7406 86 Ile H H 8.34 . 1
7407 86 Ile HA H 4.52 . 1
7408 86 Ile HB H 0.36 . 1
7409 86 Ile HG12 H 1.13 . 2
7410 86 Ile HG13 H 1.22 . 2
7411 86 Ile HG2 H 0.69 . 1
7412 86 Ile HD1 H 0.83 . 1
7413 86 Ile CA C 59.34 . 1
7414 86 Ile CB C 40.3 . 1
7418 86 Ile CG1 C 28.02 . 1
7415 86 Ile CG2 C 19.66 . 1
7416 86 Ile CD1 C 14.8 . 1
7417 86 Ile N N 126.2 . 1
402 87 Glu H H 8.20 . 1
1407 87 Glu HA H 5.33 . 1
1406 87 Glu HB2 H 1.81 . 2
1405 87 Glu HB3 H 1.81 . 2
1404 87 Glu HG2 H 2.08 . 2
1403 87 Glu HG3 H 2.00 . 2
403 87 Glu CA C 54.5 . 1
404 87 Glu CB C 34.1 . 1
1404 87 Glu CG C 36.93 . 1
405 87 Glu N N 124.6 . 1
406 88 Ile H H 9.25 . 1
407 88 Ile HA H 5.08 . 1
408 88 Ile HB H 1.725 . 1
409 88 Ile HG12 H 0.89 . 2
410 88 Ile HG13 H 1.72 . 2
411 88 Ile HG2 H 0.92 . 1
412 88 Ile HD1 H 0.69 . 1
413 88 Ile CA C 59.9 . 1
414 88 Ile CB C 42.1 . 1
9414 88 Ile CG1 C 28.5 . 1
415 88 Ile CG2 C 17.95 . 1
416 88 Ile CD1 C 14.99 . 1
417 88 Ile N N 124.9 . 1
418 89 Thr H H 9.02 . 1
419 89 Thr HA H 4.96 . 1
420 89 Thr HB H 3.98 . 1
421 89 Thr HG2 H 1.38 . 1
422 89 Thr CA C 61.6 . 1
423 89 Thr CB C 70.0 . 1
1423 89 Thr CG2 C 21.6 . 1
424 89 Thr N N 122.9 . 1
425 90 Glu H H 8.91 . 1
426 90 Glu CA C 57.3 . 1
427 90 Glu CB C 30.57 . 1
1427 90 Glu CG C 35.88 . 1
1428 90 Glu HA H  4.73 . 1
1429 90 Glu HB2 H  1.93 . 2
1430 90 Glu HB3 H  1.54 . 2
1431 90 Glu HG2 H  2.626 . 2
1432 90 Glu HG3 H  2.626 . 2
428 90 Glu N N 128.6 . 1
429 91 Ile H H 8.55 . 1
430 91 Ile HA H 4.23 . 1
431 91 Ile HB H 1.82 . 1
432 91 Ile HG12 H 1.49 . 2
433 91 Ile HG13 H 1.06 . 2
434 91 Ile HG2 H 0.96 . 1
435 91 Ile HD1 H 0.835 . 1
436 91 Ile CA C 61.4 . 1
437 91 Ile CB C 39.8 . 1
438 91 Ile CG1 C 27.4 . 1
9438 91 Ile CG2 C 17.96 . 1
439 91 Ile CD1 C 14.6 . 1
440 91 Ile N N 124.6 . 1
441 92 Asp H H 8.55 . 1
442 92 Asp HA H 4.612 . 1
443 92 Asp HB2 H 2.65 . 2
444 92 Asp HB3 H 2.75 . 2
445 92 Asp CA C 54.37 . 1
446 92 Asp CB C 41.57 . 1
447 92 Asp N N 124.1 . 1
448 93 Lys H H 8.53 . 1
449 93 Lys HA H 4.24 . 1
450 93 Lys HB2 H 1.86 . 2
451 93 Lys HB3 H 1.85 . 2
452 93 Lys HG2 H 1.506 . 2
453 93 Lys HG3 H 1.506 . 2
454 93 Lys HD3 H 1.72 . 2
1454 93 Lys HD2 H 1.72 . 2
455 93 Lys HE2 H 3.03 . 2
456 93 Lys HE3 H 3.03 . 2
457 93 Lys CA C 57.1 . 1
458 93 Lys CB C 32.9 . 1
459 93 Lys CG C 24.6 . 1
460 93 Lys CD C 29.1 . 1
461 93 Lys CE C 41.9 . 1
462 93 Lys N N 123.2 . 1
463 94 Asn H H 8.59 . 1
464 94 Asn HA H 4.68 . 1
465 94 Asn HB2 H 2.87 . 2
466 94 Asn HB3 H 2.80 . 2
467 94 Asn CA C 53.3 . 1
468 94 Asn CB C 38.7 . 1
469 94 Asn N N 118.8 . 1
1018 94 Asn ND2 N 113.6 . 1
1019 94 Asn HD21 H 6.98 . 2
1020 94 Asn HD22 H 7.76 . 2
470 95 Ala H H 8.11 . 1
471 95 Ala HA H 4.27 . 1
472 95 Ala HB H 1.43 . 1
473 95 Ala CA C 53.16 . 1
474 95 Ala CB C 19.1 . 1
475 95 Ala N N 123.99 . 1
476 96 Asp H H 8.29 . 1
477 96 Asp HA H 4.61 . 1
478 96 Asp HB2 H 2.65 . 2
479 96 Asp HB3 H 2.73 . 2
480 96 Asp CA C 54.4 . 1
481 96 Asp CB C 41.3 . 1
482 96 Asp N N 119.1 . 1
483 97 Ser H H 8.15 . 1
484 97 Ser HA H 4.38 . 1
485 97 Ser HB2 H 3.85 . 2
486 97 Ser HB3 H 3.93 . 2
487 97 Ser CA C 58.6 . 1
488 97 Ser CB C 63.6 . 1
489 97 Ser N N 115.8 . 1
490 98 Leu H H 8.24 . 1
491 98 Leu HA H 4.26 . 1
492 98 Leu HB2 H 1.52 . 2
493 98 Leu HB3 H 1.64 . 2
494 98 Leu HG H 1.63 . 1
495 98 Leu HD2 H 0.83 . 1
496 98 Leu HD1 H 0.89 . 1
497 98 Leu CA C 55.65 . 1
498 98 Leu CB C 42.19 . 1
499 98 Leu CG C 26.9 . 1
500 98 Leu CD2 C 23.3 . 1
501 98 Leu CD1 C 24.98 . 1
502 98 Leu N N 123.5 . 1
503 99 Glu H H 8.19 . 1
504 99 Glu HA H 4.13 . 1
505 99 Glu HB2 H 1.87 . 2
506 99 Glu HB3 H 1.87 . 2
507 99 Glu HG2 H 2.11 . 2
508 99 Glu HG3 H 2.18 . 2
509 99 Glu CA C 56.85 . 1
510 99 Glu CB C 29.9 . 1
511 99 Glu CG C 36.12 . 1
512 99 Glu N N 119.9 . 1
513 100 His HD2 H 6.96 . 1
9513 100 His H H 8.20 . 1
988 100 His HA  H 4.56 . 1
989 100 His HB2 H 3.05 . 2
990 100 His HB3 H 2.99 . 2
514 100 His CA C 55.835 . 1
515 100 His CB C 30.37 . 1
516 100 His N N 118.8 . 1
2000 57 Arg HE  H 8.86 . 1
2001 62 Arg HE H 7.35 . 1
2002 6 Arg HE H 7.07 . 1
2003 25 Arg HE H 7.44 . 1
2004 25 Arg NE  N 83.6 . 1
2005 62 Arg NE N 84.5 . 1
2006 57 Arg NE N 84.7 . 1
2007 6 Arg NE N 84.3 . 1


   stop_

save_

!
! ACO file produced by PDBStat
! Version:  4.01 *DEVEL* 2005-07-19 (troberto.quifis.uv.es)
!
 dihedral
   assign (resid   3 and name C   )   (resid   4 and name N   )
          (resid   4 and name CA  )   (resid   4 and name C   )   1.0    -72.62    40.00   2 
   assign (resid   4 and name N   )   (resid   4 and name CA  )
          (resid   4 and name C   )   (resid   5 and name N   )   1.0    128.46    50.00   2 
   assign (resid   4 and name C   )   (resid   5 and name N   )
          (resid   5 and name CA  )   (resid   5 and name C   )   1.0   -115.80    40.00   2 
   assign (resid   5 and name N   )   (resid   5 and name CA  )
          (resid   5 and name C   )   (resid   6 and name N   )   1.0    135.00    50.00   2 
   assign (resid   5 and name C   )   (resid   6 and name N   )
          (resid   6 and name CA  )   (resid   6 and name C   )   1.0   -118.60    40.00   2 
   assign (resid   6 and name N   )   (resid   6 and name CA  )
          (resid   6 and name C   )   (resid   7 and name N   )   1.0    142.92    50.00   2 
   assign (resid   6 and name C   )   (resid   7 and name N   )
          (resid   7 and name CA  )   (resid   7 and name C   )   1.0   -125.75    40.00   2 
   assign (resid   7 and name N   )   (resid   7 and name CA  )
          (resid   7 and name C   )   (resid   8 and name N   )   1.0    130.81    50.00   2 
   assign (resid  10 and name C   )   (resid  11 and name N   )
          (resid  11 and name CA  )   (resid  11 and name C   )   1.0    -98.35    40.00   2 
   assign (resid  11 and name N   )   (resid  11 and name CA  )
          (resid  11 and name C   )   (resid  12 and name N   )   1.0    128.93    50.00   2 
   assign (resid  11 and name C   )   (resid  12 and name N   )
          (resid  12 and name CA  )   (resid  12 and name C   )   1.0   -121.01    40.00   2 
   assign (resid  12 and name N   )   (resid  12 and name CA  )
          (resid  12 and name C   )   (resid  13 and name N   )   1.0    148.43    50.00   2 
   assign (resid  12 and name C   )   (resid  13 and name N   )
          (resid  13 and name CA  )   (resid  13 and name C   )   1.0   -119.06    40.00   2 
   assign (resid  13 and name N   )   (resid  13 and name CA  )
          (resid  13 and name C   )   (resid  14 and name N   )   1.0    130.95    50.00   2 
   assign (resid  16 and name C   )   (resid  17 and name N   )
          (resid  17 and name CA  )   (resid  17 and name C   )   1.0   -114.55    40.00   2 
   assign (resid  17 and name N   )   (resid  17 and name CA  )
          (resid  17 and name C   )   (resid  18 and name N   )   1.0    123.64    50.00   2 
   assign (resid  17 and name C   )   (resid  18 and name N   )
          (resid  18 and name CA  )   (resid  18 and name C   )   1.0   -121.82    40.00   2 
   assign (resid  18 and name N   )   (resid  18 and name CA  )
          (resid  18 and name C   )   (resid  19 and name N   )   1.0    143.53    50.00   2 
   assign (resid  18 and name C   )   (resid  19 and name N   )
          (resid  19 and name CA  )   (resid  19 and name C   )   1.0   -117.21    40.00   2 
   assign (resid  19 and name N   )   (resid  19 and name CA  )
          (resid  19 and name C   )   (resid  20 and name N   )   1.0    136.53    50.00   2 
   assign (resid  19 and name C   )   (resid  20 and name N   )
          (resid  20 and name CA  )   (resid  20 and name C   )   1.0   -121.15    40.00   2 
   assign (resid  20 and name N   )   (resid  20 and name CA  )
          (resid  20 and name C   )   (resid  21 and name N   )   1.0    146.86    50.00   2 
   assign (resid  23 and name C   )   (resid  24 and name N   )
          (resid  24 and name CA  )   (resid  24 and name C   )   1.0   -137.27    40.00   2 
   assign (resid  24 and name N   )   (resid  24 and name CA  )
          (resid  24 and name C   )   (resid  25 and name N   )   1.0    148.84    50.00   2 
   assign (resid  25 and name C   )   (resid  26 and name N   )
          (resid  26 and name CA  )   (resid  26 and name C   )   1.0   -138.86    40.00   2 
   assign (resid  26 and name N   )   (resid  26 and name CA  )
          (resid  26 and name C   )   (resid  27 and name N   )   1.0    152.22    50.00   2 
   assign (resid  26 and name C   )   (resid  27 and name N   )
          (resid  27 and name CA  )   (resid  27 and name C   )   1.0   -130.00    40.00   2 
   assign (resid  27 and name N   )   (resid  27 and name CA  )
          (resid  27 and name C   )   (resid  28 and name N   )   1.0    145.45    50.00   2 
   assign (resid  27 and name C   )   (resid  28 and name N   )
          (resid  28 and name CA  )   (resid  28 and name C   )   1.0   -124.29    40.00   2 
   assign (resid  28 and name N   )   (resid  28 and name CA  )
          (resid  28 and name C   )   (resid  29 and name N   )   1.0    143.12    50.00   2 
   assign (resid  28 and name C   )   (resid  29 and name N   )
          (resid  29 and name CA  )   (resid  29 and name C   )   1.0   -130.77    40.00   2 
   assign (resid  29 and name N   )   (resid  29 and name CA  )
          (resid  29 and name C   )   (resid  30 and name N   )   1.0    151.83    50.00   2 
   assign (resid  29 and name C   )   (resid  30 and name N   )
          (resid  30 and name CA  )   (resid  30 and name C   )   1.0   -122.13    40.00   2 
   assign (resid  30 and name N   )   (resid  30 and name CA  )
          (resid  30 and name C   )   (resid  31 and name N   )   1.0    141.85    50.00   2 
   assign (resid  30 and name C   )   (resid  31 and name N   )
          (resid  31 and name CA  )   (resid  31 and name C   )   1.0   -116.73    40.00   2 
   assign (resid  31 and name N   )   (resid  31 and name CA  )
          (resid  31 and name C   )   (resid  32 and name N   )   1.0    132.17    50.00   2 
   assign (resid  31 and name C   )   (resid  32 and name N   )
          (resid  32 and name CA  )   (resid  32 and name C   )   1.0    -89.73    40.00   2 
   assign (resid  32 and name N   )   (resid  32 and name CA  )
          (resid  32 and name C   )   (resid  33 and name N   )   1.0    126.52    50.00   2 
   assign (resid  33 and name C   )   (resid  34 and name N   )
          (resid  34 and name CA  )   (resid  34 and name C   )   1.0   -116.24    40.00   2 
   assign (resid  34 and name N   )   (resid  34 and name CA  )
          (resid  34 and name C   )   (resid  35 and name N   )   1.0    161.77    50.00   2 
   assign (resid  34 and name C   )   (resid  35 and name N   )
          (resid  35 and name CA  )   (resid  35 and name C   )   1.0    -61.84    40.00   2 
   assign (resid  35 and name N   )   (resid  35 and name CA  )
          (resid  35 and name C   )   (resid  36 and name N   )   1.0    -32.85    50.00   2 
   assign (resid  35 and name C   )   (resid  36 and name N   )
          (resid  36 and name CA  )   (resid  36 and name C   )   1.0    -67.44    40.00   2 
   assign (resid  36 and name N   )   (resid  36 and name CA  )
          (resid  36 and name C   )   (resid  37 and name N   )   1.0    -30.94    50.00   2 
   assign (resid  37 and name C   )   (resid  38 and name N   )
          (resid  38 and name CA  )   (resid  38 and name C   )   1.0    -60.96    40.00   2 
   assign (resid  38 and name N   )   (resid  38 and name CA  )
          (resid  38 and name C   )   (resid  39 and name N   )   1.0    -40.66    50.00   2 
   assign (resid  38 and name C   )   (resid  39 and name N   )
          (resid  39 and name CA  )   (resid  39 and name C   )   1.0    -59.85    40.00   2 
   assign (resid  39 and name N   )   (resid  39 and name CA  )
          (resid  39 and name C   )   (resid  40 and name N   )   1.0    -46.10    50.00   2 
   assign (resid  39 and name C   )   (resid  40 and name N   )
          (resid  40 and name CA  )   (resid  40 and name C   )   1.0    -60.98    40.00   2 
   assign (resid  40 and name N   )   (resid  40 and name CA  )
          (resid  40 and name C   )   (resid  41 and name N   )   1.0    -42.17    50.00   2 
   assign (resid  40 and name C   )   (resid  41 and name N   )
          (resid  41 and name CA  )   (resid  41 and name C   )   1.0    -68.77    40.00   2 
   assign (resid  41 and name N   )   (resid  41 and name CA  )
          (resid  41 and name C   )   (resid  42 and name N   )   1.0    -40.27    50.00   2 
   assign (resid  41 and name C   )   (resid  42 and name N   )
          (resid  42 and name CA  )   (resid  42 and name C   )   1.0    -66.61    40.00   2 
   assign (resid  42 and name N   )   (resid  42 and name CA  )
          (resid  42 and name C   )   (resid  43 and name N   )   1.0    -38.84    50.00   2 
   assign (resid  42 and name C   )   (resid  43 and name N   )
          (resid  43 and name CA  )   (resid  43 and name C   )   1.0    -71.61    40.00   2 
   assign (resid  43 and name N   )   (resid  43 and name CA  )
          (resid  43 and name C   )   (resid  44 and name N   )   1.0    -41.64    50.00   2 
   assign (resid  44 and name C   )   (resid  45 and name N   )
          (resid  45 and name CA  )   (resid  45 and name C   )   1.0   -129.46    40.00   2 
   assign (resid  45 and name N   )   (resid  45 and name CA  )
          (resid  45 and name C   )   (resid  46 and name N   )   1.0    144.57    50.00   2 
   assign (resid  49 and name C   )   (resid  50 and name N   )
          (resid  50 and name CA  )   (resid  50 and name C   )   1.0   -127.90    40.00   2 
   assign (resid  50 and name N   )   (resid  50 and name CA  )
          (resid  50 and name C   )   (resid  51 and name N   )   1.0    147.94    50.00   2 
   assign (resid  50 and name C   )   (resid  51 and name N   )
          (resid  51 and name CA  )   (resid  51 and name C   )   1.0    -82.75    40.00   2 
   assign (resid  51 and name N   )   (resid  51 and name CA  )
          (resid  51 and name C   )   (resid  52 and name N   )   1.0    126.89    50.00   2 
   assign (resid  51 and name C   )   (resid  52 and name N   )
          (resid  52 and name CA  )   (resid  52 and name C   )   1.0   -100.27    40.00   2 
   assign (resid  52 and name N   )   (resid  52 and name CA  )
          (resid  52 and name C   )   (resid  53 and name N   )   1.0    129.04    50.00   2 
   assign (resid  52 and name C   )   (resid  53 and name N   )
          (resid  53 and name CA  )   (resid  53 and name C   )   1.0   -118.15    40.00   2 
   assign (resid  53 and name N   )   (resid  53 and name CA  )
          (resid  53 and name C   )   (resid  54 and name N   )   1.0    143.37    50.00   2 
   assign (resid  53 and name C   )   (resid  54 and name N   )
          (resid  54 and name CA  )   (resid  54 and name C   )   1.0   -103.11    40.00   2 
   assign (resid  54 and name N   )   (resid  54 and name CA  )
          (resid  54 and name C   )   (resid  55 and name N   )   1.0    128.84    50.00   2 
   assign (resid  59 and name C   )   (resid  60 and name N   )
          (resid  60 and name CA  )   (resid  60 and name C   )   1.0   -119.89    40.00   2 
   assign (resid  60 and name N   )   (resid  60 and name CA  )
          (resid  60 and name C   )   (resid  61 and name N   )   1.0    133.60    50.00   2 
   assign (resid  60 and name C   )   (resid  61 and name N   )
          (resid  61 and name CA  )   (resid  61 and name C   )   1.0   -125.22    40.00   2 
   assign (resid  61 and name N   )   (resid  61 and name CA  )
          (resid  61 and name C   )   (resid  62 and name N   )   1.0    136.38    50.00   2 
   assign (resid  61 and name C   )   (resid  62 and name N   )
          (resid  62 and name CA  )   (resid  62 and name C   )   1.0   -111.69    40.00   2 
   assign (resid  62 and name N   )   (resid  62 and name CA  )
          (resid  62 and name C   )   (resid  63 and name N   )   1.0    140.05    50.00   2 
   assign (resid  63 and name C   )   (resid  64 and name N   )
          (resid  64 and name CA  )   (resid  64 and name C   )   1.0   -124.39    40.00   2 
   assign (resid  64 and name N   )   (resid  64 and name CA  )
          (resid  64 and name C   )   (resid  65 and name N   )   1.0    141.77    50.00   2 
   assign (resid  64 and name C   )   (resid  65 and name N   )
          (resid  65 and name CA  )   (resid  65 and name C   )   1.0    -84.34    40.00   2 
   assign (resid  65 and name N   )   (resid  65 and name CA  )
          (resid  65 and name C   )   (resid  66 and name N   )   1.0    131.10    50.00   2 
   assign (resid  86 and name C   )   (resid  87 and name N   )
          (resid  87 and name CA  )   (resid  87 and name C   )   1.0   -126.33    40.00   2 
   assign (resid  87 and name N   )   (resid  87 and name CA  )
          (resid  87 and name C   )   (resid  88 and name N   )   1.0    132.86    50.00   2 
   assign (resid  87 and name C   )   (resid  88 and name N   )
          (resid  88 and name CA  )   (resid  88 and name C   )   1.0   -126.96    40.00   2 
   assign (resid  88 and name N   )   (resid  88 and name CA  )
          (resid  88 and name C   )   (resid  89 and name N   )   1.0    130.92    50.00   2 
   assign (resid  88 and name C   )   (resid  89 and name N   )
          (resid  89 and name CA  )   (resid  89 and name C   )   1.0   -109.85    40.00   2 
   assign (resid  89 and name N   )   (resid  89 and name CA  )
          (resid  89 and name C   )   (resid  90 and name N   )   1.0    125.44    50.00   2 
   assign (resid  92 and name C   )   (resid  93 and name N   )
          (resid  93 and name CA  )   (resid  93 and name C   )   1.0    -71.34    40.00   2 
   assign (resid  93 and name N   )   (resid  93 and name CA  )
          (resid  93 and name C   )   (resid  94 and name N   )   1.0    -29.15    50.00   2 
 end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  14.867   5.162   2.981
    2   2H    MET   1          2H        MET   1  14.583   5.004   1.313
    3   3H    MET   1          3H        MET   1  13.814   3.971   2.403
    4    HA   MET   1           HA       MET   1  12.536   5.755   3.317
    5   1HB   MET   1          2HB       MET   1  14.036   7.445   1.298
    6   2HB   MET   1          1HB       MET   1  12.631   7.991   2.205
    7   1HG   MET   1          2HG       MET   1  13.859   7.686   4.292
    8   2HG   MET   1          1HG       MET   1  15.265   7.139   3.385
    9   1HE   MET   1          1HE       MET   1  15.284   9.078   0.876
   10   2HE   MET   1          2HE       MET   1  16.717   8.675   1.822
   11   3HE   MET   1          3HE       MET   1  16.337  10.362   1.467
   12    H    VAL   2           H        VAL   2  10.804   4.670   2.594
   13    HA   VAL   2           HA       VAL   2  10.490   4.067  -0.203
   14    HB   VAL   2           HB       VAL   2   8.502   3.609   2.024
   15   1HG1  VAL   2          1HG1      VAL   2   7.669   1.819   0.540
   16   2HG1  VAL   2          2HG1      VAL   2   8.798   2.356  -0.702
   17   3HG1  VAL   2          3HG1      VAL   2   7.505   3.427  -0.167
   18   1HG2  VAL   2          1HG2      VAL   2  10.697   1.809   1.009
   19   2HG2  VAL   2          2HG2      VAL   2   9.429   1.329   2.136
   20   3HG2  VAL   2          3HG2      VAL   2  10.605   2.557   2.602
   21    H    LYS   3           H        LYS   3  10.430   6.258  -0.978
   22    HA   LYS   3           HA       LYS   3   7.823   7.560  -0.630
   23   1HB   LYS   3          2HB       LYS   3   9.798   9.009  -0.399
   24   2HB   LYS   3          1HB       LYS   3  10.333   8.546  -2.009
   25   1HG   LYS   3          2HG       LYS   3   8.310   9.563  -2.960
   26   2HG   LYS   3          1HG       LYS   3   7.817  10.063  -1.343
   27   1HD   LYS   3          2HD       LYS   3   8.871  11.912  -2.510
   28   2HD   LYS   3          1HD       LYS   3   9.865  11.406  -1.144
   29   1HE   LYS   3          2HE       LYS   3  11.300  10.130  -2.665
   30   2HE   LYS   3          1HE       LYS   3  10.301  10.630  -4.029
   31   1HZ   LYS   3          1HZ       LYS   3  10.956  12.886  -3.708
   32   2HZ   LYS   3          2HZ       LYS   3  12.362  11.942  -3.741
   33   3HZ   LYS   3          3HZ       LYS   3  11.762  12.519  -2.265
   34    H    THR   4           H        THR   4  10.033   6.317  -3.093
   35    HA   THR   4           HA       THR   4   8.105   6.579  -5.203
   36    HB   THR   4           HB       THR   4  10.648   4.951  -5.245
   37    HG1  THR   4           HG1      THR   4  10.261   7.721  -5.841
   38   1HG2  THR   4          1HG2      THR   4   9.108   6.328  -7.450
   39   2HG2  THR   4          2HG2      THR   4   9.094   4.595  -7.123
   40   3HG2  THR   4          3HG2      THR   4  10.582   5.385  -7.643
   41    H    LEU   5           H        LEU   5   6.330   5.413  -4.535
   42    HA   LEU   5           HA       LEU   5   6.689   2.492  -4.433
   43   1HB   LEU   5          2HB       LEU   5   5.984   3.559  -2.265
   44   2HB   LEU   5          1HB       LEU   5   4.519   4.089  -3.067
   45    HG   LEU   5           HG       LEU   5   3.967   1.688  -3.505
   46   1HD1  LEU   5          1HD1      LEU   5   5.154  -0.019  -2.227
   47   2HD1  LEU   5          2HD1      LEU   5   6.283   1.201  -1.638
   48   3HD1  LEU   5          3HD1      LEU   5   6.238   0.797  -3.355
   49   1HD2  LEU   5          1HD2      LEU   5   4.349   2.437  -0.610
   50   2HD2  LEU   5          2HD2      LEU   5   3.216   1.240  -1.241
   51   3HD2  LEU   5          3HD2      LEU   5   3.004   2.948  -1.628
   52    H    ARG   6           H        ARG   6   5.609   1.377  -5.963
   53    HA   ARG   6           HA       ARG   6   3.399   2.773  -7.317
   54   1HB   ARG   6          2HB       ARG   6   5.576   1.100  -8.574
   55   2HB   ARG   6          1HB       ARG   6   4.093   1.544  -9.409
   56   1HG   ARG   6          2HG       ARG   6   4.661   3.919  -9.101
   57   2HG   ARG   6          1HG       ARG   6   6.177   3.436  -8.340
   58   1HD   ARG   6          2HD       ARG   6   5.342   2.709 -11.145
   59   2HD   ARG   6          1HD       ARG   6   6.419   4.041 -10.728
   60    HE   ARG   6           HE       ARG   6   7.209   1.401  -9.788
   61   1HH1  ARG   6          1HH1      ARG   6   7.521   3.880 -12.234
   62   2HH1  ARG   6          2HH1      ARG   6   9.066   3.325 -12.794
   63   1HH2  ARG   6          1HH2      ARG   6   9.207   0.625 -10.527
   64   2HH2  ARG   6          2HH2      ARG   6  10.011   1.436 -11.849
   65    H    LEU   7           H        LEU   7   1.565   1.725  -7.444
   66    HA   LEU   7           HA       LEU   7   1.522  -1.134  -6.752
   67   1HB   LEU   7          2HB       LEU   7  -0.725   0.890  -6.701
   68   2HB   LEU   7          1HB       LEU   7  -0.858  -0.795  -6.235
   69    HG   LEU   7           HG       LEU   7   0.803   1.298  -4.830
   70   1HD1  LEU   7          1HD1      LEU   7  -1.750  -0.095  -4.035
   71   2HD1  LEU   7          2HD1      LEU   7  -1.572   1.606  -4.467
   72   3HD1  LEU   7          3HD1      LEU   7  -0.805   0.983  -3.007
   73   1HD2  LEU   7          1HD2      LEU   7   0.321  -1.600  -4.138
   74   2HD2  LEU   7          2HD2      LEU   7   1.192  -0.431  -3.147
   75   3HD2  LEU   7          3HD2      LEU   7   1.839  -0.914  -4.714
   76    H    ASN   8           H        ASN   8   2.036  -1.902  -8.774
   77    HA   ASN   8           HA       ASN   8   1.742  -2.597 -10.909
   78   1HB   ASN   8          2HB       ASN   8  -0.304  -3.569  -9.827
   79   2HB   ASN   8          1HB       ASN   8  -1.203  -2.168 -10.392
   80   1HD2  ASN   8          1HD2      ASN   8   1.363  -3.717 -12.243
   81   2HD2  ASN   8          2HD2      ASN   8   0.325  -4.342 -13.481
   82    H    ASN   9           H        ASN   9   2.780  -0.539 -11.482
   83    HA   ASN   9           HA       ASN   9   3.085   1.089 -13.023
   84   1HB   ASN   9          2HB       ASN   9   0.262   0.465 -13.900
   85   2HB   ASN   9          1HB       ASN   9   1.352   1.560 -14.738
   86   1HD2  ASN   9          1HD2      ASN   9   0.521  -1.715 -14.107
   87   2HD2  ASN   9          2HD2      ASN   9   1.635  -2.441 -15.214
   88    H    VAL  10           H        VAL  10   0.601   1.266 -10.710
   89    HA   VAL  10           HA       VAL  10   0.090   4.097 -11.215
   90    HB   VAL  10           HB       VAL  10  -1.119   2.307  -9.094
   91   1HG1  VAL  10          1HG1      VAL  10  -2.823   4.055  -8.913
   92   2HG1  VAL  10          2HG1      VAL  10  -1.967   5.020 -10.118
   93   3HG1  VAL  10          3HG1      VAL  10  -1.218   4.694  -8.554
   94   1HG2  VAL  10          1HG2      VAL  10  -2.121   3.067 -11.833
   95   2HG2  VAL  10          2HG2      VAL  10  -3.108   2.300 -10.590
   96   3HG2  VAL  10          3HG2      VAL  10  -1.713   1.448 -11.257
   97    H    THR  11           H        THR  11   1.572   5.434 -10.422
   98    HA   THR  11           HA       THR  11   3.209   4.799  -8.188
   99    HB   THR  11           HB       THR  11   4.014   6.283  -9.963
  100    HG1  THR  11           HG1      THR  11   4.120   8.169  -8.028
  101   1HG2  THR  11          1HG2      THR  11   1.899   7.408 -10.482
  102   2HG2  THR  11          2HG2      THR  11   3.195   8.567 -10.185
  103   3HG2  THR  11          3HG2      THR  11   1.980   8.266  -8.943
  104    H    LEU  12           H        LEU  12   3.106   5.594  -6.067
  105    HA   LEU  12           HA       LEU  12   0.479   6.695  -5.315
  106   1HB   LEU  12          2HB       LEU  12   0.497   4.257  -5.066
  107   2HB   LEU  12          1HB       LEU  12   1.906   4.372  -4.028
  108    HG   LEU  12           HG       LEU  12   0.437   5.831  -2.510
  109   1HD1  LEU  12          1HD1      LEU  12  -1.954   5.432  -2.661
  110   2HD1  LEU  12          2HD1      LEU  12  -1.719   4.483  -4.129
  111   3HD1  LEU  12          3HD1      LEU  12  -1.355   6.210  -4.128
  112   1HD2  LEU  12          1HD2      LEU  12  -0.530   3.832  -1.439
  113   2HD2  LEU  12          2HD2      LEU  12   1.162   3.622  -1.889
  114   3HD2  LEU  12          3HD2      LEU  12  -0.107   2.889  -2.870
  115    H    GLU  13           H        GLU  13   0.424   8.039  -3.612
  116    HA   GLU  13           HA       GLU  13   2.867   8.400  -2.020
  117   1HB   GLU  13          2HB       GLU  13   0.755  10.369  -2.857
  118   2HB   GLU  13          1HB       GLU  13   1.665  10.634  -1.380
  119   1HG   GLU  13          2HG       GLU  13   2.823  11.867  -2.943
  120   2HG   GLU  13          1HG       GLU  13   3.748  10.372  -2.855
  121    H    MET  14           H        MET  14   2.277   9.155   0.301
  122    HA   MET  14           HA       MET  14  -0.232   8.180   1.295
  123   1HB   MET  14          2HB       MET  14   1.010   6.578   2.917
  124   2HB   MET  14          1HB       MET  14   0.661   6.026   1.281
  125   1HG   MET  14          2HG       MET  14   2.873   5.368   1.850
  126   2HG   MET  14          1HG       MET  14   2.977   6.652   0.648
  127   1HE   MET  14          1HE       MET  14   6.156   7.403   2.671
  128   2HE   MET  14          2HE       MET  14   5.438   7.153   1.079
  129   3HE   MET  14          3HE       MET  14   5.509   5.822   2.232
  130    H    ALA  15           H        ALA  15   0.070   8.033   3.851
  131    HA   ALA  15           HA       ALA  15   1.474  10.498   4.636
  132   1HB   ALA  15          1HB       ALA  15  -0.961  10.769   4.620
  133   2HB   ALA  15          2HB       ALA  15  -0.296  10.903   6.249
  134   3HB   ALA  15          3HB       ALA  15  -1.111   9.420   5.748
  135    H    ALA  16           H        ALA  16   0.275   7.359   5.726
  136    HA   ALA  16           HA       ALA  16   2.610   7.183   7.484
  137   1HB   ALA  16          1HB       ALA  16   0.688   7.648   8.898
  138   2HB   ALA  16          2HB       ALA  16   1.264   6.002   9.163
  139   3HB   ALA  16          3HB       ALA  16  -0.182   6.285   8.191
  140    H    TYR  17           H        TYR  17   3.484   6.066   5.619
  141    HA   TYR  17           HA       TYR  17   2.577   3.425   5.005
  142   1HB   TYR  17          2HB       TYR  17   3.961   4.689   3.432
  143   2HB   TYR  17          1HB       TYR  17   5.270   4.754   4.604
  144    HD1  TYR  17           HD1      TYR  17   3.429   2.598   2.268
  145    HD2  TYR  17           HD2      TYR  17   6.727   2.863   4.939
  146    HE1  TYR  17           HE1      TYR  17   4.355   0.528   1.323
  147    HE2  TYR  17           HE2      TYR  17   7.659   0.792   4.003
  148    HH   TYR  17           HH       TYR  17   6.839  -1.210   2.796
  149    H    GLN  18           H        GLN  18   2.585   1.829   6.464
  150    HA   GLN  18           HA       GLN  18   4.975   1.516   8.152
  151   1HB   GLN  18          2HB       GLN  18   3.244   2.410   9.580
  152   2HB   GLN  18          1HB       GLN  18   2.090   1.217   9.000
  153   1HG   GLN  18          2HG       GLN  18   3.400  -0.560  10.032
  154   2HG   GLN  18          1HG       GLN  18   4.572   0.627  10.603
  155   1HE2  GLN  18          1HE2      GLN  18   1.341  -0.608  10.954
  156   2HE2  GLN  18          2HE2      GLN  18   1.012   0.115  12.492
  157    H    GLU  19           H        GLU  19   5.944  -0.263   7.426
  158    HA   GLU  19           HA       GLU  19   4.259  -2.551   6.693
  159   1HB   GLU  19          2HB       GLU  19   6.343  -3.400   5.535
  160   2HB   GLU  19          1HB       GLU  19   5.603  -1.969   4.833
  161   1HG   GLU  19          2HG       GLU  19   7.692  -1.185   4.813
  162   2HG   GLU  19          1HG       GLU  19   7.381  -0.830   6.509
  163    H    GLU  20           H        GLU  20   4.282  -4.317   7.880
  164    HA   GLU  20           HA       GLU  20   6.078  -4.482  10.161
  165   1HB   GLU  20          2HB       GLU  20   3.539  -5.043  10.158
  166   2HB   GLU  20          1HB       GLU  20   4.026  -6.548   9.391
  167   1HG   GLU  20          2HG       GLU  20   3.796  -6.916  11.739
  168   2HG   GLU  20          1HG       GLU  20   5.506  -7.001  11.316
  169    H    SER  21           H        SER  21   8.011  -5.309   9.825
  170    HA   SER  21           HA       SER  21   8.549  -6.761   7.406
  171   1HB   SER  21          2HB       SER  21  10.489  -6.098   9.618
  172   2HB   SER  21          1HB       SER  21  10.852  -6.424   7.922
  173    HG   SER  21           HG       SER  21   9.324  -4.486   7.615
  174    H    GLU  22           H        GLU  22   7.552  -7.772  10.431
  175    HA   GLU  22           HA       GLU  22   8.857 -10.375  10.038
  176   1HB   GLU  22          2HB       GLU  22   8.647  -8.902  12.644
  177   2HB   GLU  22          1HB       GLU  22   9.088 -10.591  12.514
  178   1HG   GLU  22          2HG       GLU  22  10.976  -9.956  11.070
  179   2HG   GLU  22          1HG       GLU  22  10.591  -8.261  11.368
  180    HA   PRO  23           HA       PRO  23   6.958 -13.595  10.973
  181   1HB   PRO  23          2HB       PRO  23   4.514 -12.514  12.320
  182   2HB   PRO  23          1HB       PRO  23   5.173 -14.155  12.374
  183   1HG   PRO  23          2HG       PRO  23   5.798 -12.083  14.164
  184   2HG   PRO  23          1HG       PRO  23   6.701 -13.594  13.965
  185   1HD   PRO  23          2HD       PRO  23   7.694 -11.040  13.409
  186   2HD   PRO  23          1HD       PRO  23   8.369 -12.560  12.777
  187    H    LYS  24           H        LYS  24   5.130 -10.816   9.992
  188    HA   LYS  24           HA       LYS  24   4.396 -12.156   7.547
  189   1HB   LYS  24          2HB       LYS  24   2.458 -11.529   9.649
  190   2HB   LYS  24          1HB       LYS  24   2.070 -10.789   8.105
  191   1HG   LYS  24          2HG       LYS  24   2.475 -13.722   8.655
  192   2HG   LYS  24          1HG       LYS  24   0.959 -12.909   8.253
  193   1HD   LYS  24          2HD       LYS  24   1.908 -12.279   6.068
  194   2HD   LYS  24          1HD       LYS  24   3.384 -13.149   6.482
  195   1HE   LYS  24          2HE       LYS  24   2.080 -14.569   5.086
  196   2HE   LYS  24          1HE       LYS  24   2.016 -15.215   6.722
  197   1HZ   LYS  24          1HZ       LYS  24  -0.171 -14.252   7.000
  198   2HZ   LYS  24          2HZ       LYS  24  -0.145 -15.250   5.626
  199   3HZ   LYS  24          3HZ       LYS  24  -0.105 -13.567   5.447
  200    H    ARG  25           H        ARG  25   5.282 -10.795   6.143
  201    HA   ARG  25           HA       ARG  25   5.698  -8.057   6.762
  202   1HB   ARG  25          2HB       ARG  25   6.054  -9.600   4.202
  203   2HB   ARG  25          1HB       ARG  25   6.369  -7.872   4.318
  204   1HG   ARG  25          2HG       ARG  25   7.922  -8.463   6.256
  205   2HG   ARG  25          1HG       ARG  25   7.788 -10.128   5.693
  206   1HD   ARG  25          2HD       ARG  25   8.690  -7.818   3.982
  207   2HD   ARG  25          1HD       ARG  25   9.781  -8.908   4.833
  208    HE   ARG  25           HE       ARG  25   8.012 -10.412   3.227
  209   1HH1  ARG  25          1HH1      ARG  25  10.797  -8.279   2.980
  210   2HH1  ARG  25          2HH1      ARG  25  11.332  -8.956   1.466
  211   1HH2  ARG  25          1HH2      ARG  25   8.736 -11.297   1.250
  212   2HH2  ARG  25          2HH2      ARG  25  10.162 -10.657   0.491
  213    H    LYS  26           H        LYS  26   3.814  -7.110   7.229
  214    HA   LYS  26           HA       LYS  26   1.767  -7.024   5.128
  215   1HB   LYS  26          2HB       LYS  26   0.979  -7.695   7.378
  216   2HB   LYS  26          1HB       LYS  26   1.548  -6.161   8.024
  217   1HG   LYS  26          2HG       LYS  26  -0.014  -4.974   6.552
  218   2HG   LYS  26          1HG       LYS  26  -0.595  -6.520   5.939
  219   1HD   LYS  26          2HD       LYS  26  -2.132  -5.683   7.598
  220   2HD   LYS  26          1HD       LYS  26  -1.316  -7.112   8.230
  221   1HE   LYS  26          2HE       LYS  26   0.107  -5.788   9.603
  222   2HE   LYS  26          1HE       LYS  26  -0.425  -4.300   8.823
  223   1HZ   LYS  26          1HZ       LYS  26  -2.540  -4.467   9.824
  224   2HZ   LYS  26          2HZ       LYS  26  -1.424  -4.792  11.064
  225   3HZ   LYS  26          3HZ       LYS  26  -2.270  -6.063  10.331
  226    H    ILE  27           H        ILE  27   1.876  -5.382   3.820
  227    HA   ILE  27           HA       ILE  27   3.247  -2.942   4.605
  228    HB   ILE  27           HB       ILE  27   2.009  -3.700   1.949
  229   1HG1  ILE  27          2HG1      ILE  27   4.899  -3.785   2.849
  230   2HG1  ILE  27          1HG1      ILE  27   3.867  -5.190   2.627
  231   1HG2  ILE  27          1HG2      ILE  27   2.192  -1.304   2.213
  232   2HG2  ILE  27          2HG2      ILE  27   3.400  -1.873   1.058
  233   3HG2  ILE  27          3HG2      ILE  27   3.878  -1.461   2.706
  234   1HD1  ILE  27          1HD1      ILE  27   5.356  -4.912   0.746
  235   2HD1  ILE  27          2HD1      ILE  27   4.743  -3.280   0.475
  236   3HD1  ILE  27          3HD1      ILE  27   3.682  -4.671   0.244
  237    H    ALA  28           H        ALA  28   1.917  -1.888   5.986
  238    HA   ALA  28           HA       ALA  28  -0.848  -1.379   5.156
  239   1HB   ALA  28          1HB       ALA  28   0.466  -0.957   7.837
  240   2HB   ALA  28          2HB       ALA  28  -0.538  -2.336   7.388
  241   3HB   ALA  28          3HB       ALA  28  -1.243  -0.721   7.469
  242    H    PHE  29           H        PHE  29  -0.729   0.334   3.752
  243    HA   PHE  29           HA       PHE  29   0.657   2.696   4.809
  244   1HB   PHE  29          2HB       PHE  29   0.484   3.569   2.415
  245   2HB   PHE  29          1HB       PHE  29   1.635   2.282   2.730
  246    HD1  PHE  29           HD1      PHE  29  -1.558   3.136   1.124
  247    HD2  PHE  29           HD2      PHE  29   1.371   0.118   1.771
  248    HE1  PHE  29           HE1      PHE  29  -2.508   1.818  -0.722
  249    HE2  PHE  29           HE2      PHE  29   0.421  -1.208  -0.066
  250    HZ   PHE  29           HZ       PHE  29  -1.521  -0.358  -1.316
  251    H    THR  30           H        THR  30  -0.411   4.399   5.403
  252    HA   THR  30           HA       THR  30  -3.291   4.397   5.273
  253    HB   THR  30           HB       THR  30  -1.491   6.575   6.349
  254    HG1  THR  30           HG1      THR  30  -1.765   4.060   7.192
  255   1HG2  THR  30          1HG2      THR  30  -3.837   7.206   6.061
  256   2HG2  THR  30          2HG2      THR  30  -3.422   7.080   7.772
  257   3HG2  THR  30          3HG2      THR  30  -4.336   5.792   6.987
  258    H    LEU  31           H        LEU  31  -4.269   5.014   3.488
  259    HA   LEU  31           HA       LEU  31  -3.038   7.038   1.750
  260   1HB   LEU  31          2HB       LEU  31  -4.046   4.595   1.141
  261   2HB   LEU  31          1HB       LEU  31  -5.482   5.573   0.929
  262    HG   LEU  31           HG       LEU  31  -2.879   6.169  -0.477
  263   1HD1  LEU  31          1HD1      LEU  31  -3.676   3.953  -1.134
  264   2HD1  LEU  31          2HD1      LEU  31  -3.853   5.120  -2.444
  265   3HD1  LEU  31          3HD1      LEU  31  -5.262   4.635  -1.500
  266   1HD2  LEU  31          1HD2      LEU  31  -4.439   8.043  -0.285
  267   2HD2  LEU  31          2HD2      LEU  31  -5.713   7.055  -0.997
  268   3HD2  LEU  31          3HD2      LEU  31  -4.296   7.490  -1.952
  269    H    ASN  32           H        ASN  32  -3.758   9.087   2.182
  270    HA   ASN  32           HA       ASN  32  -6.422   9.383   3.282
  271   1HB   ASN  32          2HB       ASN  32  -5.747  11.823   3.486
  272   2HB   ASN  32          1HB       ASN  32  -4.906  10.674   4.498
  273   1HD2  ASN  32          1HD2      ASN  32  -4.326  11.313   1.078
  274   2HD2  ASN  32          2HD2      ASN  32  -2.758  12.005   1.295
  275    H    VAL  33           H        VAL  33  -7.647   8.852   1.514
  276    HA   VAL  33           HA       VAL  33  -7.482  10.238  -0.991
  277    HB   VAL  33           HB       VAL  33  -9.706   8.573   0.207
  278   1HG1  VAL  33          1HG1      VAL  33 -10.600   8.389  -2.041
  279   2HG1  VAL  33          2HG1      VAL  33  -9.314   9.424  -2.658
  280   3HG1  VAL  33          3HG1      VAL  33 -10.521  10.082  -1.552
  281   1HG2  VAL  33          1HG2      VAL  33  -8.859   6.792  -1.251
  282   2HG2  VAL  33          2HG2      VAL  33  -7.651   7.314  -0.077
  283   3HG2  VAL  33          3HG2      VAL  33  -7.537   7.845  -1.755
  284    H    THR  34           H        THR  34  -9.006  11.862  -1.765
  285    HA   THR  34           HA       THR  34 -10.023  13.429   0.489
  286    HB   THR  34           HB       THR  34  -9.610  15.346  -0.628
  287    HG1  THR  34           HG1      THR  34  -9.814  15.507  -2.955
  288   1HG2  THR  34          1HG2      THR  34  -7.476  14.158  -0.662
  289   2HG2  THR  34          2HG2      THR  34  -7.631  15.193  -2.082
  290   3HG2  THR  34          3HG2      THR  34  -7.874  13.452  -2.230
  291    H    SER  35           H        SER  35 -12.084  14.711  -0.001
  292    HA   SER  35           HA       SER  35 -14.092  12.735  -0.473
  293   1HB   SER  35          2HB       SER  35 -15.585  14.843  -0.021
  294   2HB   SER  35          1HB       SER  35 -14.638  14.132   1.287
  295    HG   SER  35           HG       SER  35 -14.484  16.493   0.991
  296    H    GLU  36           H        GLU  36 -12.398  14.559  -2.588
  297    HA   GLU  36           HA       GLU  36 -14.300  15.672  -4.319
  298   1HB   GLU  36          2HB       GLU  36 -11.839  16.099  -4.360
  299   2HB   GLU  36          1HB       GLU  36 -11.607  14.496  -5.038
  300   1HG   GLU  36          2HG       GLU  36 -11.498  16.153  -6.776
  301   2HG   GLU  36          1HG       GLU  36 -12.926  15.142  -6.996
  302    H    THR  37           H        THR  37 -12.583  12.566  -4.579
  303    HA   THR  37           HA       THR  37 -14.657  11.630  -6.440
  304    HB   THR  37           HB       THR  37 -12.899   9.834  -6.945
  305    HG1  THR  37           HG1      THR  37 -10.865  10.184  -6.199
  306   1HG2  THR  37          1HG2      THR  37 -12.251  12.721  -7.582
  307   2HG2  THR  37          2HG2      THR  37 -13.364  11.687  -8.478
  308   3HG2  THR  37          3HG2      THR  37 -11.641  11.313  -8.452
  309    H    TYR  38           H        TYR  38 -14.148  11.575  -3.298
  310    HA   TYR  38           HA       TYR  38 -13.852   8.952  -2.434
  311   1HB   TYR  38          2HB       TYR  38 -13.605  10.859  -0.960
  312   2HB   TYR  38          1HB       TYR  38 -15.306  11.265  -1.142
  313    HD1  TYR  38           HD2      TYR  38 -13.008   8.660   0.197
  314    HD2  TYR  38           HD1      TYR  38 -16.906  10.364   0.304
  315    HE1  TYR  38           HE2      TYR  38 -13.549   7.292   2.168
  316    HE2  TYR  38           HE1      TYR  38 -17.456   9.002   2.271
  317    HH   TYR  38           HH       TYR  38 -16.704   6.895   3.330
  318    H    HIS  39           H        HIS  39 -16.562  10.345  -3.960
  319    HA   HIS  39           HA       HIS  39 -18.718   9.144  -2.693
  320   1HB   HIS  39          2HB       HIS  39 -18.433   9.705  -5.652
  321   2HB   HIS  39          1HB       HIS  39 -19.946   9.420  -4.799
  322    HD1  HIS  39           HD1      HIS  39 -20.023  11.253  -2.543
  323    HD2  HIS  39           HD2      HIS  39 -18.148  12.331  -6.097
  324    HE1  HIS  39           HE1      HIS  39 -19.956  13.771  -2.543
  325    HE2  HIS  39           HE2      HIS  39 -18.611  14.379  -4.590
  326    H    ASP  40           H        ASP  40 -17.014   7.926  -5.591
  327    HA   ASP  40           HA       ASP  40 -18.328   5.383  -5.435
  328   1HB   ASP  40          2HB       ASP  40 -15.993   6.354  -7.087
  329   2HB   ASP  40          1HB       ASP  40 -16.684   4.745  -7.226
  330    H    ILE  41           H        ILE  41 -15.357   6.759  -4.308
  331    HA   ILE  41           HA       ILE  41 -13.895   4.369  -3.923
  332    HB   ILE  41           HB       ILE  41 -13.565   7.004  -2.480
  333   1HG1  ILE  41          2HG1      ILE  41 -12.258   6.020  -5.025
  334   2HG1  ILE  41          1HG1      ILE  41 -13.579   7.183  -4.962
  335   1HG2  ILE  41          1HG2      ILE  41 -11.602   4.767  -2.984
  336   2HG2  ILE  41          2HG2      ILE  41 -12.351   5.155  -1.436
  337   3HG2  ILE  41          3HG2      ILE  41 -11.243   6.302  -2.189
  338   1HD1  ILE  41          1HD1      ILE  41 -10.826   7.551  -3.809
  339   2HD1  ILE  41          2HD1      ILE  41 -12.148   8.713  -3.699
  340   3HD1  ILE  41          3HD1      ILE  41 -11.465   8.302  -5.272
  341    H    ALA  42           H        ALA  42 -16.250   6.061  -1.974
  342    HA   ALA  42           HA       ALA  42 -15.798   4.742   0.482
  343   1HB   ALA  42          1HB       ALA  42 -18.091   5.426   1.043
  344   2HB   ALA  42          2HB       ALA  42 -18.358   5.883  -0.640
  345   3HB   ALA  42          3HB       ALA  42 -17.168   6.750   0.331
  346    H    VAL  43           H        VAL  43 -17.259   3.743  -2.476
  347    HA   VAL  43           HA       VAL  43 -18.598   1.454  -1.296
  348    HB   VAL  43           HB       VAL  43 -18.184   2.047  -4.232
  349   1HG1  VAL  43          1HG1      VAL  43 -20.190   0.318  -2.788
  350   2HG1  VAL  43          2HG1      VAL  43 -18.837  -0.244  -3.768
  351   3HG1  VAL  43          3HG1      VAL  43 -20.172   0.628  -4.523
  352   1HG2  VAL  43          1HG2      VAL  43 -20.503   2.849  -2.474
  353   2HG2  VAL  43          2HG2      VAL  43 -20.403   3.064  -4.222
  354   3HG2  VAL  43          3HG2      VAL  43 -19.300   3.939  -3.160
  355    H    LEU  44           H        LEU  44 -15.654   2.247  -3.010
  356    HA   LEU  44           HA       LEU  44 -14.817  -0.422  -3.518
  357   1HB   LEU  44          2HB       LEU  44 -13.492   2.251  -3.528
  358   2HB   LEU  44          1HB       LEU  44 -12.476   0.825  -3.477
  359    HG   LEU  44           HG       LEU  44 -12.691   1.570  -5.758
  360   1HD1  LEU  44          1HD1      LEU  44 -13.584  -0.454  -6.803
  361   2HD1  LEU  44          2HD1      LEU  44 -14.324  -0.913  -5.271
  362   3HD1  LEU  44          3HD1      LEU  44 -12.568  -0.828  -5.410
  363   1HD2  LEU  44          1HD2      LEU  44 -14.808   2.781  -5.561
  364   2HD2  LEU  44          2HD2      LEU  44 -15.670   1.249  -5.419
  365   3HD2  LEU  44          3HD2      LEU  44 -14.827   1.653  -6.916
  366    H    LEU  45           H        LEU  45 -13.524  -1.770  -2.358
  367    HA   LEU  45           HA       LEU  45 -12.252  -0.992   0.057
  368   1HB   LEU  45          2HB       LEU  45 -13.488  -2.290   1.634
  369   2HB   LEU  45          1HB       LEU  45 -14.610  -1.215   0.830
  370    HG   LEU  45           HG       LEU  45 -14.299  -4.143   0.143
  371   1HD1  LEU  45          1HD1      LEU  45 -16.339  -2.791   1.902
  372   2HD1  LEU  45          2HD1      LEU  45 -15.072  -3.895   2.438
  373   3HD1  LEU  45          3HD1      LEU  45 -16.371  -4.478   1.395
  374   1HD2  LEU  45          1HD2      LEU  45 -16.446  -2.140  -0.557
  375   2HD2  LEU  45          2HD2      LEU  45 -16.461  -3.857  -0.958
  376   3HD2  LEU  45          3HD2      LEU  45 -15.240  -2.800  -1.664
  377    H    TYR  46           H        TYR  46 -10.428  -1.879  -0.426
  378    HA   TYR  46           HA       TYR  46  -8.792  -3.478  -0.446
  379   1HB   TYR  46          2HB       TYR  46 -10.753  -5.742  -0.597
  380   2HB   TYR  46          1HB       TYR  46  -9.172  -5.690   0.167
  381    HD1  TYR  46           HD1      TYR  46  -9.103  -3.863   2.188
  382    HD2  TYR  46           HD2      TYR  46 -12.543  -5.917   0.773
  383    HE1  TYR  46           HE1      TYR  46 -10.194  -3.501   4.359
  384    HE2  TYR  46           HE2      TYR  46 -13.654  -5.569   2.946
  385    HH   TYR  46           HH       TYR  46 -12.630  -3.366   5.189
  386    H    GLU  47           H        GLU  47 -11.473  -4.963  -2.205
  387    HA   GLU  47           HA       GLU  47 -11.953  -5.081  -4.405
  388   1HB   GLU  47          2HB       GLU  47 -10.174  -2.942  -4.338
  389   2HB   GLU  47          1HB       GLU  47  -9.513  -4.022  -5.564
  390   1HG   GLU  47          2HG       GLU  47 -12.398  -3.260  -5.600
  391   2HG   GLU  47          1HG       GLU  47 -11.170  -2.173  -6.247
  392    H    LYS  48           H        LYS  48  -8.395  -5.356  -4.353
  393    HA   LYS  48           HA       LYS  48  -8.632  -7.966  -5.644
  394   1HB   LYS  48          2HB       LYS  48  -8.766  -5.828  -7.226
  395   2HB   LYS  48          1HB       LYS  48  -7.021  -5.875  -7.040
  396   1HG   LYS  48          2HG       LYS  48  -7.540  -7.043  -9.024
  397   2HG   LYS  48          1HG       LYS  48  -7.098  -8.240  -7.811
  398   1HD   LYS  48          2HD       LYS  48  -9.074  -8.887  -9.159
  399   2HD   LYS  48          1HD       LYS  48  -9.403  -8.797  -7.429
  400   1HE   LYS  48          2HE       LYS  48 -11.201  -7.796  -8.756
  401   2HE   LYS  48          1HE       LYS  48 -10.419  -6.614  -7.709
  402   1HZ   LYS  48          1HZ       LYS  48 -10.731  -5.615  -9.819
  403   2HZ   LYS  48          2HZ       LYS  48 -10.065  -6.935 -10.637
  404   3HZ   LYS  48          3HZ       LYS  48  -9.074  -5.942  -9.688
  405    H    THR  49           H        THR  49  -6.158  -8.377  -6.523
  406    HA   THR  49           HA       THR  49  -4.429  -8.172  -4.219
  407    HB   THR  49           HB       THR  49  -4.239 -10.243  -5.314
  408    HG1  THR  49           HG1      THR  49  -2.184  -9.380  -4.799
  409   1HG2  THR  49          1HG2      THR  49  -3.825 -10.547  -7.693
  410   2HG2  THR  49          2HG2      THR  49  -3.800  -8.800  -7.927
  411   3HG2  THR  49          3HG2      THR  49  -5.295  -9.604  -7.444
  412    H    PHE  50           H        PHE  50  -2.288  -7.262  -4.370
  413    HA   PHE  50           HA       PHE  50  -2.236  -4.971  -6.229
  414   1HB   PHE  50          2HB       PHE  50  -1.489  -4.977  -3.305
  415   2HB   PHE  50          1HB       PHE  50  -1.158  -3.647  -4.408
  416    HD1  PHE  50           HD1      PHE  50  -3.011  -2.341  -5.360
  417    HD2  PHE  50           HD2      PHE  50  -3.649  -5.323  -2.395
  418    HE1  PHE  50           HE1      PHE  50  -5.227  -1.385  -4.881
  419    HE2  PHE  50           HE2      PHE  50  -5.864  -4.379  -1.913
  420    HZ   PHE  50           HZ       PHE  50  -6.657  -2.408  -3.154
  421    H    ASN  51           H        ASN  51  -0.443  -4.671  -7.328
  422    HA   ASN  51           HA       ASN  51   1.872  -6.336  -6.726
  423   1HB   ASN  51          2HB       ASN  51   0.973  -6.213  -9.064
  424   2HB   ASN  51          1HB       ASN  51   1.426  -4.513  -9.102
  425   1HD2  ASN  51          1HD2      ASN  51   3.627  -3.962  -9.145
  426   2HD2  ASN  51          2HD2      ASN  51   4.835  -5.106  -9.607
  427    H    VAL  52           H        VAL  52   2.642  -5.285  -4.913
  428    HA   VAL  52           HA       VAL  52   3.200  -2.458  -4.906
  429    HB   VAL  52           HB       VAL  52   4.178  -4.550  -2.952
  430   1HG1  VAL  52          1HG1      VAL  52   5.355  -2.447  -2.773
  431   2HG1  VAL  52          2HG1      VAL  52   4.288  -2.656  -1.384
  432   3HG1  VAL  52          3HG1      VAL  52   3.829  -1.567  -2.694
  433   1HG2  VAL  52          1HG2      VAL  52   2.244  -3.985  -1.566
  434   2HG2  VAL  52          2HG2      VAL  52   1.752  -4.675  -3.113
  435   3HG2  VAL  52          3HG2      VAL  52   1.633  -2.935  -2.846
  436    H    GLU  53           H        GLU  53   4.834  -1.701  -6.078
  437    HA   GLU  53           HA       GLU  53   7.319  -3.275  -6.161
  438   1HB   GLU  53          2HB       GLU  53   5.985  -3.216  -8.316
  439   2HB   GLU  53          1HB       GLU  53   6.291  -1.488  -8.372
  440   1HG   GLU  53          2HG       GLU  53   8.553  -3.436  -8.203
  441   2HG   GLU  53          1HG       GLU  53   7.771  -3.082  -9.742
  442    H    VAL  54           H        VAL  54   8.984  -2.389  -5.386
  443    HA   VAL  54           HA       VAL  54   9.163   0.528  -5.246
  444    HB   VAL  54           HB       VAL  54   8.404  -0.219  -3.065
  445   1HG1  VAL  54          1HG1      VAL  54  10.826  -1.997  -3.034
  446   2HG1  VAL  54          2HG1      VAL  54   9.140  -2.512  -3.087
  447   3HG1  VAL  54          3HG1      VAL  54   9.768  -1.691  -1.656
  448   1HG2  VAL  54          1HG2      VAL  54  10.212   0.696  -1.695
  449   2HG2  VAL  54          2HG2      VAL  54   9.915   1.648  -3.151
  450   3HG2  VAL  54          3HG2      VAL  54  11.298   0.560  -3.077
  451    HA   PRO  55           HA       PRO  55  12.944  -0.665  -7.279
  452   1HB   PRO  55          2HB       PRO  55  13.866   1.870  -7.687
  453   2HB   PRO  55          1HB       PRO  55  12.627   1.107  -8.687
  454   1HG   PRO  55          2HG       PRO  55  12.321   3.057  -6.443
  455   2HG   PRO  55          1HG       PRO  55  11.459   2.982  -7.991
  456   1HD   PRO  55          2HD       PRO  55  10.383   2.090  -5.670
  457   2HD   PRO  55          1HD       PRO  55  10.003   1.363  -7.243
  458    H    GLU  56           H        GLU  56  12.846   1.554  -4.529
  459    HA   GLU  56           HA       GLU  56  15.611   1.748  -4.086
  460   1HB   GLU  56          2HB       GLU  56  14.078   3.287  -3.005
  461   2HB   GLU  56          1HB       GLU  56  13.328   1.966  -2.117
  462   1HG   GLU  56          2HG       GLU  56  15.514   1.551  -1.011
  463   2HG   GLU  56          1HG       GLU  56  16.136   2.997  -1.800
  464    H    ARG  57           H        ARG  57  13.248  -0.264  -2.334
  465    HA   ARG  57           HA       ARG  57  15.382  -1.748  -1.076
  466   1HB   ARG  57          2HB       ARG  57  12.387  -2.133  -0.907
  467   2HB   ARG  57          1HB       ARG  57  13.587  -2.864   0.150
  468   1HG   ARG  57          2HG       ARG  57  14.202  -0.681   1.007
  469   2HG   ARG  57          1HG       ARG  57  13.065   0.093  -0.099
  470   1HD   ARG  57          2HD       ARG  57  12.126  -0.084   2.145
  471   2HD   ARG  57          1HD       ARG  57  11.211  -1.060   0.998
  472    HE   ARG  57           HE       ARG  57  12.922  -2.858   1.987
  473   1HH1  ARG  57          1HH1      ARG  57  10.865  -0.515   3.587
  474   2HH1  ARG  57          2HH1      ARG  57  10.660  -1.477   5.023
  475   1HH2  ARG  57          1HH2      ARG  57  12.676  -4.118   3.878
  476   2HH2  ARG  57          2HH2      ARG  57  11.727  -3.502   5.206
  477    H    ASP  58           H        ASP  58  14.042  -1.866  -4.022
  478    HA   ASP  58           HA       ASP  58  13.719  -3.378  -5.667
  479   1HB   ASP  58          2HB       ASP  58  16.084  -3.820  -5.391
  480   2HB   ASP  58          1HB       ASP  58  15.755  -4.935  -4.068
  481    H    LEU  59           H        LEU  59  11.544  -3.663  -5.019
  482    HA   LEU  59           HA       LEU  59  11.044  -6.441  -4.282
  483   1HB   LEU  59          2HB       LEU  59  10.532  -4.218  -2.558
  484   2HB   LEU  59          1HB       LEU  59   9.002  -4.912  -3.055
  485    HG   LEU  59           HG       LEU  59  11.258  -6.407  -1.718
  486   1HD1  LEU  59          1HD1      LEU  59   8.555  -5.553  -0.689
  487   2HD1  LEU  59          2HD1      LEU  59  10.107  -4.866  -0.214
  488   3HD1  LEU  59          3HD1      LEU  59   9.726  -6.543   0.182
  489   1HD2  LEU  59          1HD2      LEU  59   9.994  -7.806  -3.285
  490   2HD2  LEU  59          2HD2      LEU  59   8.492  -7.327  -2.496
  491   3HD2  LEU  59          3HD2      LEU  59   9.691  -8.270  -1.611
  492    H    ALA  60           H        ALA  60  10.358  -6.901  -6.348
  493    HA   ALA  60           HA       ALA  60   7.922  -5.573  -7.256
  494   1HB   ALA  60          1HB       ALA  60   9.395  -7.930  -8.449
  495   2HB   ALA  60          2HB       ALA  60   9.587  -6.248  -8.944
  496   3HB   ALA  60          3HB       ALA  60   8.045  -7.068  -9.184
  497    H    PHE  61           H        PHE  61   6.603  -6.076  -5.503
  498    HA   PHE  61           HA       PHE  61   6.262  -8.924  -4.865
  499   1HB   PHE  61          2HB       PHE  61   7.015  -7.437  -3.036
  500   2HB   PHE  61          1HB       PHE  61   5.564  -6.468  -3.241
  501    HD1  PHE  61           HD2      PHE  61   6.533 -10.021  -2.633
  502    HD2  PHE  61           HD1      PHE  61   3.823  -6.844  -1.810
  503    HE1  PHE  61           HE2      PHE  61   5.352 -11.450  -1.013
  504    HE2  PHE  61           HE1      PHE  61   2.644  -8.265  -0.186
  505    HZ   PHE  61           HZ       PHE  61   3.405 -10.570   0.213
  506    H    ARG  62           H        ARG  62   4.252  -9.838  -4.822
  507    HA   ARG  62           HA       ARG  62   1.998  -8.147  -5.640
  508   1HB   ARG  62          2HB       ARG  62   2.923  -9.540  -7.530
  509   2HB   ARG  62          1HB       ARG  62   2.461 -10.969  -6.619
  510   1HG   ARG  62          2HG       ARG  62   0.290 -10.756  -7.134
  511   2HG   ARG  62          1HG       ARG  62   0.322  -8.993  -7.016
  512   1HD   ARG  62          2HD       ARG  62  -0.107  -9.728  -9.313
  513   2HD   ARG  62          1HD       ARG  62   1.419  -8.854  -9.187
  514    HE   ARG  62           HE       ARG  62   1.108 -11.757  -9.585
  515   1HH1  ARG  62          1HH1      ARG  62   3.152  -8.897  -9.541
  516   2HH1  ARG  62          2HH1      ARG  62   4.497  -9.704 -10.285
  517   1HH2  ARG  62          1HH2      ARG  62   2.847 -12.782 -10.627
  518   2HH2  ARG  62          2HH2      ARG  62   4.320 -11.906 -10.927
  519    H    GLY  63           H        GLY  63   1.195  -8.015  -3.598
  520   1HA   GLY  63          2HA       GLY  63   0.866 -10.491  -2.061
  521   2HA   GLY  63          1HA       GLY  63   0.795  -8.858  -1.412
  522    H    GLU  64           H        GLU  64  -1.134 -10.595  -0.695
  523    HA   GLU  64           HA       GLU  64  -3.398  -9.928  -2.429
  524   1HB   GLU  64          2HB       GLU  64  -4.559 -11.823  -1.238
  525   2HB   GLU  64          1HB       GLU  64  -3.219 -12.276  -2.275
  526   1HG   GLU  64          2HG       GLU  64  -2.928 -13.600  -0.398
  527   2HG   GLU  64          1HG       GLU  64  -1.807 -12.270  -0.138
  528    H    MET  65           H        MET  65  -5.227  -9.019  -1.600
  529    HA   MET  65           HA       MET  65  -4.984  -7.838   1.055
  530   1HB   MET  65          2HB       MET  65  -5.961  -6.837  -1.312
  531   2HB   MET  65          1HB       MET  65  -7.435  -7.315  -0.476
  532   1HG   MET  65          2HG       MET  65  -5.304  -5.479   0.596
  533   2HG   MET  65          1HG       MET  65  -6.871  -4.992  -0.039
  534   1HE   MET  65          1HE       MET  65  -7.056  -4.314   3.840
  535   2HE   MET  65          2HE       MET  65  -7.179  -3.590   2.238
  536   3HE   MET  65          3HE       MET  65  -5.628  -4.193   2.814
  537    H    THR  66           H        THR  66  -5.760  -8.964   2.700
  538    HA   THR  66           HA       THR  66  -7.128 -11.376   2.363
  539    HB   THR  66           HB       THR  66  -7.487 -11.220   4.884
  540    HG1  THR  66           HG1      THR  66  -5.723  -8.998   4.644
  541   1HG2  THR  66          1HG2      THR  66  -5.603 -12.407   3.842
  542   2HG2  THR  66          2HG2      THR  66  -5.139 -11.643   5.362
  543   3HG2  THR  66          3HG2      THR  66  -4.674 -10.905   3.827
  544    H    ASN  67           H        ASN  67  -8.297  -8.196   2.483
  545    HA   ASN  67           HA       ASN  67 -10.372  -7.370   2.137
  546   1HB   ASN  67          2HB       ASN  67 -10.762 -10.224   1.412
  547   2HB   ASN  67          1HB       ASN  67 -12.204  -9.246   1.651
  548   1HD2  ASN  67          1HD2      ASN  67  -9.298  -9.651  -0.259
  549   2HD2  ASN  67          2HD2      ASN  67  -9.836  -8.696  -1.598
  550    H    TYR  68           H        TYR  68  -9.549  -8.821   4.850
  551    HA   TYR  68           HA       TYR  68 -12.232  -8.528   6.041
  552   1HB   TYR  68          2HB       TYR  68 -10.049 -10.407   6.973
  553   2HB   TYR  68          1HB       TYR  68 -11.648 -10.240   7.686
  554    HD1  TYR  68           HD2      TYR  68 -13.491 -10.319   5.506
  555    HD2  TYR  68           HD1      TYR  68  -9.840 -12.456   5.951
  556    HE1  TYR  68           HE2      TYR  68 -14.331 -12.058   3.984
  557    HE2  TYR  68           HE1      TYR  68 -10.668 -14.199   4.429
  558    HH   TYR  68           HH       TYR  68 -12.845 -15.081   3.647
  559    H    SER  69           H        SER  69  -9.871  -6.686   5.662
  560    HA   SER  69           HA       SER  69  -8.644  -6.276   8.188
  561   1HB   SER  69          2HB       SER  69  -8.907  -4.325   5.891
  562   2HB   SER  69          1HB       SER  69  -7.710  -4.275   7.188
  563    HG   SER  69           HG       SER  69  -6.692  -5.242   5.521
  564    H    THR  70           H        THR  70 -11.688  -5.392   6.924
  565    HA   THR  70           HA       THR  70 -13.473  -4.318   7.840
  566    HB   THR  70           HB       THR  70 -11.776  -3.635  10.250
  567    HG1  THR  70           HG1      THR  70 -11.666  -5.854  10.026
  568   1HG2  THR  70          1HG2      THR  70 -13.954  -2.497  10.115
  569   2HG2  THR  70          2HG2      THR  70 -13.923  -3.666  11.436
  570   3HG2  THR  70          3HG2      THR  70 -14.754  -4.057   9.930
  571    H    SER  71           H        SER  71 -10.749  -3.019   6.760
  572    HA   SER  71           HA       SER  71 -11.384  -0.223   7.230
  573   1HB   SER  71          2HB       SER  71  -9.350   0.131   5.776
  574   2HB   SER  71          1HB       SER  71  -9.051  -0.799   7.241
  575    HG   SER  71           HG       SER  71  -8.063  -1.877   5.564
  576    H    LEU  72           H        LEU  72 -11.040   1.052   4.903
  577    HA   LEU  72           HA       LEU  72 -12.690  -0.274   2.872
  578   1HB   LEU  72          2HB       LEU  72 -13.160   2.522   3.922
  579   2HB   LEU  72          1HB       LEU  72 -13.916   1.864   2.488
  580    HG   LEU  72           HG       LEU  72 -14.821   0.039   4.132
  581   1HD1  LEU  72          1HD1      LEU  72 -14.295   2.329   6.021
  582   2HD1  LEU  72          2HD1      LEU  72 -13.510   0.749   6.068
  583   3HD1  LEU  72          3HD1      LEU  72 -15.241   0.884   6.377
  584   1HD2  LEU  72          1HD2      LEU  72 -16.793   1.430   4.547
  585   2HD2  LEU  72          2HD2      LEU  72 -16.208   1.596   2.891
  586   3HD2  LEU  72          3HD2      LEU  72 -15.878   2.862   4.074
  587    H    THR  73           H        THR  73 -12.781   1.438   0.882
  588    HA   THR  73           HA       THR  73 -11.735   2.832  -0.593
  589    HB   THR  73           HB       THR  73  -9.676   3.159   1.610
  590    HG1  THR  73           HG1      THR  73 -12.157   3.947   1.442
  591   1HG2  THR  73          1HG2      THR  73  -9.078   5.264   0.490
  592   2HG2  THR  73          2HG2      THR  73 -10.119   4.827  -0.868
  593   3HG2  THR  73          3HG2      THR  73  -8.691   3.857  -0.505
  594    H    ASN  74           H        ASN  74  -9.526   2.899  -1.886
  595    HA   ASN  74           HA       ASN  74  -8.235   0.303  -1.914
  596   1HB   ASN  74          2HB       ASN  74 -10.134  -0.255  -3.216
  597   2HB   ASN  74          1HB       ASN  74 -10.077   1.267  -4.095
  598   1HD2  ASN  74          1HD2      ASN  74  -8.476  -1.823  -3.635
  599   2HD2  ASN  74          2HD2      ASN  74  -7.718  -1.864  -5.184
  600    H    LEU  75           H        LEU  75  -8.659   3.070  -4.113
  601    HA   LEU  75           HA       LEU  75  -5.788   3.608  -3.973
  602   1HB   LEU  75          2HB       LEU  75  -7.336   3.046  -6.506
  603   2HB   LEU  75          1HB       LEU  75  -5.800   3.886  -6.502
  604    HG   LEU  75           HG       LEU  75  -6.222   1.062  -5.517
  605   1HD1  LEU  75          1HD1      LEU  75  -5.054   0.384  -7.536
  606   2HD1  LEU  75          2HD1      LEU  75  -4.956   2.064  -8.062
  607   3HD1  LEU  75          3HD1      LEU  75  -6.526   1.268  -7.942
  608   1HD2  LEU  75          1HD2      LEU  75  -4.386   2.179  -4.383
  609   2HD2  LEU  75          2HD2      LEU  75  -3.717   2.685  -5.935
  610   3HD2  LEU  75          3HD2      LEU  75  -3.769   0.973  -5.515
  611    H    TYR  76           H        TYR  76  -6.011   5.425  -6.274
  612    HA   TYR  76           HA       TYR  76  -6.917   7.323  -7.054
  613   1HB   TYR  76          2HB       TYR  76  -8.821   7.102  -4.734
  614   2HB   TYR  76          1HB       TYR  76  -8.781   8.496  -5.810
  615    HD1  TYR  76           HD2      TYR  76  -9.473   8.286  -8.141
  616    HD2  TYR  76           HD1      TYR  76  -9.706   4.978  -5.479
  617    HE1  TYR  76           HE2      TYR  76 -10.944   7.119  -9.731
  618    HE2  TYR  76           HE1      TYR  76 -11.173   3.798  -7.057
  619    HH   TYR  76           HH       TYR  76 -12.761   4.422  -8.909
  620    H    GLU  77           H        GLU  77  -6.160   9.175  -6.990
  621    HA   GLU  77           HA       GLU  77  -4.048  10.187  -5.929
  622   1HB   GLU  77          2HB       GLU  77  -5.430  11.419  -7.488
  623   2HB   GLU  77          1HB       GLU  77  -6.597  11.768  -6.224
  624   1HG   GLU  77          2HG       GLU  77  -4.981  13.137  -5.061
  625   2HG   GLU  77          1HG       GLU  77  -3.751  12.729  -6.257
  626    HA   PRO  78           HA       PRO  78  -4.693  10.487  -1.491
  627   1HB   PRO  78          2HB       PRO  78  -1.841  10.627  -1.239
  628   2HB   PRO  78          1HB       PRO  78  -2.895   9.263  -0.866
  629   1HG   PRO  78          2HG       PRO  78  -1.048   9.302  -2.916
  630   2HG   PRO  78          1HG       PRO  78  -2.463   8.238  -2.854
  631   1HD   PRO  78          2HD       PRO  78  -2.077  10.797  -4.351
  632   2HD   PRO  78          1HD       PRO  78  -2.915   9.309  -4.847
  633    H    GLY  79           H        GLY  79  -5.374  12.509  -1.002
  634   1HA   GLY  79          2HA       GLY  79  -3.597  14.787  -1.484
  635   2HA   GLY  79          1HA       GLY  79  -5.266  14.871  -0.932
  636    H    ALA  80           H        ALA  80  -5.679  15.015   1.190
  637    HA   ALA  80           HA       ALA  80  -3.893  13.985   3.191
  638   1HB   ALA  80          1HB       ALA  80  -2.772  16.101   2.690
  639   2HB   ALA  80          2HB       ALA  80  -3.469  16.122   4.309
  640   3HB   ALA  80          3HB       ALA  80  -4.273  16.974   2.992
  641    H    VAL  81           H        VAL  81  -6.490  13.351   2.562
  642    HA   VAL  81           HA       VAL  81  -8.159  14.901   4.413
  643    HB   VAL  81           HB       VAL  81  -9.151  13.381   2.025
  644   1HG1  VAL  81          1HG1      VAL  81 -10.417  15.561   3.680
  645   2HG1  VAL  81          2HG1      VAL  81 -10.810  13.843   3.766
  646   3HG1  VAL  81          3HG1      VAL  81 -11.137  14.748   2.290
  647   1HG2  VAL  81          1HG2      VAL  81  -7.557  15.052   1.342
  648   2HG2  VAL  81          2HG2      VAL  81  -8.428  16.282   2.267
  649   3HG2  VAL  81          3HG2      VAL  81  -9.197  15.513   0.875
  650    H    SER  82           H        SER  82  -9.076  11.904   2.834
  651    HA   SER  82           HA       SER  82  -9.897  10.901   5.404
  652   1HB   SER  82          2HB       SER  82 -10.458  10.023   2.573
  653   2HB   SER  82          1HB       SER  82 -11.023   9.111   3.969
  654    HG   SER  82           HG       SER  82 -12.149  11.003   4.629
  655    H    GLU  83           H        GLU  83  -8.016  10.189   6.377
  656    HA   GLU  83           HA       GLU  83  -6.110   8.531   5.122
  657   1HB   GLU  83          2HB       GLU  83  -5.367   8.053   7.475
  658   2HB   GLU  83          1HB       GLU  83  -5.432   9.755   7.046
  659   1HG   GLU  83          2HG       GLU  83  -7.576   9.959   8.213
  660   2HG   GLU  83          1HG       GLU  83  -7.485   8.257   8.663
  661    H    PHE  84           H        PHE  84  -6.514   6.584   4.365
  662    HA   PHE  84           HA       PHE  84  -8.288   4.818   5.902
  663   1HB   PHE  84          2HB       PHE  84  -8.150   5.421   3.008
  664   2HB   PHE  84          1HB       PHE  84  -8.511   3.759   3.468
  665    HD1  PHE  84           HD2      PHE  84 -10.469   3.330   4.988
  666    HD2  PHE  84           HD1      PHE  84  -9.782   7.104   3.144
  667    HE1  PHE  84           HE2      PHE  84 -12.814   3.956   5.399
  668    HE2  PHE  84           HE1      PHE  84 -12.125   7.734   3.553
  669    HZ   PHE  84           HZ       PHE  84 -13.643   6.158   4.682
  670    H    TYR  85           H        TYR  85  -7.967   2.470   5.267
  671    HA   TYR  85           HA       TYR  85  -5.105   1.908   5.581
  672   1HB   TYR  85          2HB       TYR  85  -7.554   0.311   6.315
  673   2HB   TYR  85          1HB       TYR  85  -5.920  -0.326   6.404
  674    HD1  TYR  85           HD2      TYR  85  -4.338   0.583   8.053
  675    HD2  TYR  85           HD1      TYR  85  -8.423   1.742   7.973
  676    HE1  TYR  85           HE2      TYR  85  -4.130   1.404  10.347
  677    HE2  TYR  85           HE1      TYR  85  -8.251   2.567  10.266
  678    HH   TYR  85           HH       TYR  85  -6.863   2.299  12.244
  679    H    ILE  86           H        ILE  86  -4.110   1.149   3.818
  680    HA   ILE  86           HA       ILE  86  -5.487  -1.108   2.525
  681    HB   ILE  86           HB       ILE  86  -3.292   0.533   1.234
  682   1HG1  ILE  86          2HG1      ILE  86  -5.402   1.833   1.454
  683   2HG1  ILE  86          1HG1      ILE  86  -4.986   1.483  -0.222
  684   1HG2  ILE  86          1HG2      ILE  86  -3.393  -1.803   0.524
  685   2HG2  ILE  86          2HG2      ILE  86  -3.881  -0.722  -0.780
  686   3HG2  ILE  86          3HG2      ILE  86  -5.102  -1.615   0.127
  687   1HD1  ILE  86          1HD1      ILE  86  -7.026   0.007   1.433
  688   2HD1  ILE  86          2HD1      ILE  86  -6.625  -0.315  -0.256
  689   3HD1  ILE  86          3HD1      ILE  86  -7.366   1.218   0.196
  690    H    GLU  87           H        GLU  87  -4.706  -2.320   4.340
  691    HA   GLU  87           HA       GLU  87  -1.809  -2.639   4.447
  692   1HB   GLU  87          2HB       GLU  87  -2.190  -3.956   6.494
  693   2HB   GLU  87          1HB       GLU  87  -2.861  -2.334   6.607
  694   1HG   GLU  87          2HG       GLU  87  -4.629  -4.578   5.765
  695   2HG   GLU  87          1HG       GLU  87  -4.184  -4.411   7.462
  696    H    ILE  88           H        ILE  88  -0.988  -3.961   3.072
  697    HA   ILE  88           HA       ILE  88  -2.534  -6.292   2.189
  698    HB   ILE  88           HB       ILE  88   0.042  -5.207   1.046
  699   1HG1  ILE  88          2HG1      ILE  88  -2.779  -4.728   0.072
  700   2HG1  ILE  88          1HG1      ILE  88  -1.845  -3.562   1.004
  701   1HG2  ILE  88          1HG2      ILE  88  -0.636  -6.487  -0.951
  702   2HG2  ILE  88          2HG2      ILE  88  -2.016  -7.119  -0.052
  703   3HG2  ILE  88          3HG2      ILE  88  -0.375  -7.518   0.457
  704   1HD1  ILE  88          1HD1      ILE  88  -0.181  -3.483  -0.771
  705   2HD1  ILE  88          2HD1      ILE  88  -1.787  -3.055  -1.361
  706   3HD1  ILE  88          3HD1      ILE  88  -1.122  -4.652  -1.696
  707    H    THR  89           H        THR  89  -2.067  -8.226   2.956
  708    HA   THR  89           HA       THR  89   0.187  -8.584   4.708
  709    HB   THR  89           HB       THR  89  -0.950 -11.038   4.557
  710    HG1  THR  89           HG1      THR  89  -2.639 -10.689   3.230
  711   1HG2  THR  89          1HG2      THR  89  -1.917  -8.669   6.160
  712   2HG2  THR  89          2HG2      THR  89  -0.621  -9.782   6.607
  713   3HG2  THR  89          3HG2      THR  89  -2.289 -10.354   6.526
  714    H    GLU  90           H        GLU  90   1.925  -9.919   4.406
  715    HA   GLU  90           HA       GLU  90   2.948 -10.529   1.917
  716   1HB   GLU  90          2HB       GLU  90   4.216 -10.565   4.058
  717   2HB   GLU  90          1HB       GLU  90   3.402 -12.061   4.489
  718   1HG   GLU  90          2HG       GLU  90   4.482 -13.243   2.728
  719   2HG   GLU  90          1HG       GLU  90   5.124 -11.749   2.043
  720    H    ILE  91           H        ILE  91   2.141 -11.750   0.401
  721    HA   ILE  91           HA       ILE  91  -0.170 -13.242   0.666
  722    HB   ILE  91           HB       ILE  91   0.449 -12.287  -1.447
  723   1HG1  ILE  91          2HG1      ILE  91   0.417 -15.311  -1.599
  724   2HG1  ILE  91          1HG1      ILE  91  -0.995 -14.264  -1.525
  725   1HG2  ILE  91          1HG2      ILE  91   2.298 -13.153  -2.800
  726   2HG2  ILE  91          2HG2      ILE  91   2.752 -14.233  -1.482
  727   3HG2  ILE  91          3HG2      ILE  91   2.868 -12.487  -1.268
  728   1HD1  ILE  91          1HD1      ILE  91  -0.422 -13.323  -3.689
  729   2HD1  ILE  91          2HD1      ILE  91  -0.585 -15.075  -3.780
  730   3HD1  ILE  91          3HD1      ILE  91   1.017 -14.338  -3.759
  731    H    ASP  92           H        ASP  92  -0.644 -15.260   1.184
  732    HA   ASP  92           HA       ASP  92   1.519 -17.258   1.288
  733   1HB   ASP  92          2HB       ASP  92  -1.179 -17.240   2.660
  734   2HB   ASP  92          1HB       ASP  92  -0.089 -18.616   2.663
  735    H    LYS  93           H        LYS  93   0.765 -19.501   0.759
  736    HA   LYS  93           HA       LYS  93  -0.878 -19.437  -1.657
  737   1HB   LYS  93          2HB       LYS  93   1.415 -20.533  -1.596
  738   2HB   LYS  93          1HB       LYS  93   0.707 -21.752  -0.551
  739   1HG   LYS  93          2HG       LYS  93  -0.795 -22.455  -2.286
  740   2HG   LYS  93          1HG       LYS  93  -0.259 -21.142  -3.336
  741   1HD   LYS  93          2HD       LYS  93   2.004 -22.108  -3.355
  742   2HD   LYS  93          1HD       LYS  93   1.430 -23.435  -2.341
  743   1HE   LYS  93          2HE       LYS  93  -0.083 -24.159  -4.067
  744   2HE   LYS  93          1HE       LYS  93   0.323 -22.764  -5.066
  745   1HZ   LYS  93          1HZ       LYS  93   1.479 -24.699  -5.843
  746   2HZ   LYS  93          2HZ       LYS  93   2.146 -24.990  -4.317
  747   3HZ   LYS  93          3HZ       LYS  93   2.610 -23.617  -5.198
  748    H    ASN  94           H        ASN  94  -1.647 -19.344   1.247
  749    HA   ASN  94           HA       ASN  94  -3.020 -21.698   1.969
  750   1HB   ASN  94          2HB       ASN  94  -2.437 -19.921   3.581
  751   2HB   ASN  94          1HB       ASN  94  -3.578 -18.838   2.793
  752   1HD2  ASN  94          1HD2      ASN  94  -3.170 -21.513   4.921
  753   2HD2  ASN  94          2HD2      ASN  94  -4.822 -21.623   5.447
  754    H    ALA  95           H        ALA  95  -4.082 -18.730   0.368
  755    HA   ALA  95           HA       ALA  95  -6.799 -19.653   0.154
  756   1HB   ALA  95          1HB       ALA  95  -6.297 -17.280   0.499
  757   2HB   ALA  95          2HB       ALA  95  -7.225 -17.547  -0.977
  758   3HB   ALA  95          3HB       ALA  95  -5.495 -17.228  -1.069
  759    H    ASP  96           H        ASP  96  -6.801 -21.464  -1.067
  760    HA   ASP  96           HA       ASP  96  -7.115 -22.684  -2.934
  761   1HB   ASP  96          2HB       ASP  96  -8.361 -20.763  -3.723
  762   2HB   ASP  96          1HB       ASP  96  -6.897 -20.029  -4.347
  763    H    SER  97           H        SER  97  -6.096 -23.436  -4.954
  764    HA   SER  97           HA       SER  97  -3.214 -22.939  -5.008
  765   1HB   SER  97          2HB       SER  97  -4.587 -25.627  -4.947
  766   2HB   SER  97          1HB       SER  97  -2.867 -25.370  -5.164
  767    HG   SER  97           HG       SER  97  -3.914 -24.099  -2.968
  768    H    LEU  98           H        LEU  98  -5.590 -22.285  -6.742
  769    HA   LEU  98           HA       LEU  98  -4.828 -23.704  -9.196
  770   1HB   LEU  98          2HB       LEU  98  -7.226 -23.679  -8.579
  771   2HB   LEU  98          1HB       LEU  98  -7.209 -21.928  -8.643
  772    HG   LEU  98           HG       LEU  98  -6.566 -22.135 -11.082
  773   1HD1  LEU  98          1HD1      LEU  98  -5.770 -24.422 -11.053
  774   2HD1  LEU  98          2HD1      LEU  98  -7.110 -24.249 -12.186
  775   3HD1  LEU  98          3HD1      LEU  98  -7.378 -24.996 -10.611
  776   1HD2  LEU  98          1HD2      LEU  98  -8.867 -22.594 -11.795
  777   2HD2  LEU  98          2HD2      LEU  98  -8.813 -21.534 -10.387
  778   3HD2  LEU  98          3HD2      LEU  98  -9.227 -23.239 -10.193
  779    H    GLU  99           H        GLU  99  -3.874 -22.646 -10.871
  780    HA   GLU  99           HA       GLU  99  -2.905 -19.986 -10.369
  781   1HB   GLU  99          2HB       GLU  99  -1.825 -20.198 -12.601
  782   2HB   GLU  99          1HB       GLU  99  -1.419 -21.499 -11.494
  783   1HG   GLU  99          2HG       GLU  99  -2.891 -23.005 -12.629
  784   2HG   GLU  99          1HG       GLU  99  -3.507 -21.704 -13.647
  785    H    HIS 100           H        HIS 100  -5.082 -19.107 -10.145
  786    HA   HIS 100           HA       HIS 100  -6.683 -18.761 -12.483
  787   1HB   HIS 100          2HB       HIS 100  -7.973 -17.123 -11.099
  788   2HB   HIS 100          1HB       HIS 100  -7.827 -18.717 -10.379
  789    HD1  HIS 100           HD1      HIS 100  -7.564 -15.243  -9.548
  790    HD2  HIS 100           HD2      HIS 100  -5.638 -18.724  -8.324
  791    HE1  HIS 100           HE1      HIS 100  -6.511 -14.699  -7.324
  792    HE2  HIS 100           HE2      HIS 100  -5.534 -16.882  -6.510
  793    H    HIS 101           H        HIS 101  -4.961 -18.063 -13.859
  794    HA   HIS 101           HA       HIS 101  -4.508 -15.160 -13.678
  795   1HB   HIS 101          2HB       HIS 101  -2.400 -16.347 -13.377
  796   2HB   HIS 101          1HB       HIS 101  -2.689 -17.293 -14.830
  797    HD1  HIS 101           HD1      HIS 101  -0.990 -14.311 -13.676
  798    HD2  HIS 101           HD2      HIS 101  -2.665 -15.596 -17.256
  799    HE1  HIS 101           HE1      HIS 101  -0.046 -12.803 -15.452
  800    HE2  HIS 101           HE2      HIS 101  -1.266 -13.454 -17.564
  801    H    HIS 102           H        HIS 102  -6.356 -14.674 -14.877
  802    HA   HIS 102           HA       HIS 102  -5.821 -14.389 -17.620
  803   1HB   HIS 102          2HB       HIS 102  -6.590 -16.793 -17.628
  804   2HB   HIS 102          1HB       HIS 102  -8.164 -16.225 -17.079
  805    HD1  HIS 102           HD1      HIS 102  -9.702 -15.130 -18.812
  806    HD2  HIS 102           HD2      HIS 102  -5.940 -16.103 -20.301
  807    HE1  HIS 102           HE1      HIS 102  -9.852 -14.806 -21.299
  808    HE2  HIS 102           HE2      HIS 102  -7.597 -15.494 -22.197
  809    H    HIS 103           H        HIS 103  -6.208 -12.257 -16.940
  810    HA   HIS 103           HA       HIS 103  -9.070 -11.624 -16.619
  811   1HB   HIS 103          2HB       HIS 103  -7.299 -10.736 -14.942
  812   2HB   HIS 103          1HB       HIS 103  -6.822  -9.648 -16.240
  813    HD1  HIS 103           HD1      HIS 103  -7.889  -7.422 -16.022
  814    HD2  HIS 103           HD2      HIS 103 -10.300 -10.456 -14.512
  815    HE1  HIS 103           HE1      HIS 103  -9.939  -6.280 -15.126
  816    HE2  HIS 103           HE2      HIS 103 -11.277  -8.111 -14.026
  817    H    HIS 104           H        HIS 104  -6.364  -9.751 -17.936
  818    HA   HIS 104           HA       HIS 104  -7.343 -10.287 -20.647
  819   1HB   HIS 104          2HB       HIS 104  -6.746  -7.562 -19.495
  820   2HB   HIS 104          1HB       HIS 104  -6.691  -7.875 -21.227
  821    HD1  HIS 104           HD1      HIS 104  -8.916  -6.687 -18.724
  822    HD2  HIS 104           HD2      HIS 104  -9.320  -9.095 -22.088
  823    HE1  HIS 104           HE1      HIS 104 -11.369  -6.675 -19.277
  824    HE2  HIS 104           HE2      HIS 104 -11.613  -8.327 -21.165
  825    H    HIS 105           H        HIS 105  -5.080 -10.740 -18.536
  826    HA   HIS 105           HA       HIS 105  -2.968 -10.959 -20.517
  827   1HB   HIS 105          2HB       HIS 105  -2.736  -9.463 -17.911
  828   2HB   HIS 105          1HB       HIS 105  -1.331 -10.230 -18.641
  829    HD1  HIS 105           HD1      HIS 105  -0.204  -9.029 -20.546
  830    HD2  HIS 105           HD2      HIS 105  -3.820  -7.287 -19.447
  831    HE1  HIS 105           HE1      HIS 105  -0.296  -6.828 -21.756
  832    HE2  HIS 105           HE2      HIS 105  -2.418  -5.731 -20.973
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  10.384   5.815   6.315
    2   2H    MET   1          2H        MET   1   9.239   6.646   7.248
    3   3H    MET   1          3H        MET   1   9.806   7.323   5.799
    4    HA   MET   1           HA       MET   1   8.278   4.796   5.991
    5   1HB   MET   1          2HB       MET   1   6.345   5.989   5.241
    6   2HB   MET   1          1HB       MET   1   6.979   6.866   6.627
    7   1HG   MET   1          2HG       MET   1   8.006   8.499   5.151
    8   2HG   MET   1          1HG       MET   1   7.446   7.603   3.743
    9   1HE   MET   1          1HE       MET   1   4.728   9.894   6.683
   10   2HE   MET   1          2HE       MET   1   6.491   9.910   6.732
   11   3HE   MET   1          3HE       MET   1   5.610   8.440   7.149
   12    H    VAL   2           H        VAL   2   7.281   4.340   3.823
   13    HA   VAL   2           HA       VAL   2   9.198   4.743   1.680
   14    HB   VAL   2           HB       VAL   2   6.616   3.165   1.817
   15   1HG1  VAL   2          1HG1      VAL   2   6.992   3.987  -0.459
   16   2HG1  VAL   2          2HG1      VAL   2   7.197   2.239  -0.357
   17   3HG1  VAL   2          3HG1      VAL   2   8.611   3.290  -0.442
   18   1HG2  VAL   2          1HG2      VAL   2   9.501   2.292   1.733
   19   2HG2  VAL   2          2HG2      VAL   2   8.104   1.215   1.701
   20   3HG2  VAL   2          3HG2      VAL   2   8.421   2.207   3.125
   21    H    LYS   3           H        LYS   3   8.834   6.029  -0.114
   22    HA   LYS   3           HA       LYS   3   6.596   7.904   0.201
   23   1HB   LYS   3          2HB       LYS   3   8.867   8.857   0.204
   24   2HB   LYS   3          1HB       LYS   3   9.146   8.184  -1.396
   25   1HG   LYS   3          2HG       LYS   3   7.265   9.573  -2.243
   26   2HG   LYS   3          1HG       LYS   3   7.163  10.320  -0.648
   27   1HD   LYS   3          2HD       LYS   3   9.471  11.091  -0.865
   28   2HD   LYS   3          1HD       LYS   3   9.576  10.339  -2.457
   29   1HE   LYS   3          2HE       LYS   3   7.762  12.606  -1.646
   30   2HE   LYS   3          1HE       LYS   3   9.178  12.711  -2.691
   31   1HZ   LYS   3          1HZ       LYS   3   7.943  11.040  -4.149
   32   2HZ   LYS   3          2HZ       LYS   3   7.394  12.644  -4.148
   33   3HZ   LYS   3          3HZ       LYS   3   6.556  11.466  -3.261
   34    H    THR   4           H        THR   4   8.272   5.944  -2.226
   35    HA   THR   4           HA       THR   4   6.169   6.614  -4.155
   36    HB   THR   4           HB       THR   4   8.583   4.938  -4.783
   37    HG1  THR   4           HG1      THR   4   9.530   6.730  -3.921
   38   1HG2  THR   4          1HG2      THR   4   6.958   6.903  -6.414
   39   2HG2  THR   4          2HG2      THR   4   6.802   5.146  -6.471
   40   3HG2  THR   4          3HG2      THR   4   8.296   5.915  -7.006
   41    H    LEU   5           H        LEU   5   4.445   5.339  -3.604
   42    HA   LEU   5           HA       LEU   5   4.933   2.439  -3.714
   43   1HB   LEU   5          2HB       LEU   5   3.937   3.295  -1.597
   44   2HB   LEU   5          1HB       LEU   5   2.556   3.861  -2.516
   45    HG   LEU   5           HG       LEU   5   2.061   1.522  -3.173
   46   1HD1  LEU   5          1HD1      LEU   5   4.312   0.858  -1.279
   47   2HD1  LEU   5          2HD1      LEU   5   4.303   0.601  -3.024
   48   3HD1  LEU   5          3HD1      LEU   5   3.195  -0.304  -1.994
   49   1HD2  LEU   5          1HD2      LEU   5   0.960   2.519  -1.234
   50   2HD2  LEU   5          2HD2      LEU   5   2.280   1.973  -0.199
   51   3HD2  LEU   5          3HD2      LEU   5   1.237   0.794  -0.995
   52    H    ARG   6           H        ARG   6   3.612   1.159  -5.005
   53    HA   ARG   6           HA       ARG   6   1.594   2.461  -6.659
   54   1HB   ARG   6          2HB       ARG   6   3.601   2.588  -8.025
   55   2HB   ARG   6          1HB       ARG   6   3.941   0.887  -7.748
   56   1HG   ARG   6          2HG       ARG   6   2.006   0.243  -9.033
   57   2HG   ARG   6          1HG       ARG   6   1.535   1.933  -9.226
   58   1HD   ARG   6          2HD       ARG   6   4.156   0.812 -10.205
   59   2HD   ARG   6          1HD       ARG   6   2.705   0.910 -11.202
   60    HE   ARG   6           HE       ARG   6   2.815   3.383 -10.770
   61   1HH1  ARG   6          1HH1      ARG   6   5.698   1.376 -10.676
   62   2HH1  ARG   6          2HH1      ARG   6   6.764   2.683 -11.122
   63   1HH2  ARG   6          1HH2      ARG   6   4.223   5.091 -11.334
   64   2HH2  ARG   6          2HH2      ARG   6   5.929   4.787 -11.490
   65    H    LEU   7           H        LEU   7  -0.179   1.259  -6.760
   66    HA   LEU   7           HA       LEU   7   0.041  -1.641  -6.262
   67   1HB   LEU   7          2HB       LEU   7  -2.099   0.242  -5.261
   68   2HB   LEU   7          1HB       LEU   7  -2.148  -1.502  -5.103
   69    HG   LEU   7           HG       LEU   7  -0.079   0.296  -3.835
   70   1HD1  LEU   7          1HD1      LEU   7  -2.268   0.619  -2.837
   71   2HD1  LEU   7          2HD1      LEU   7  -1.210  -0.265  -1.736
   72   3HD1  LEU   7          3HD1      LEU   7  -2.455  -1.124  -2.643
   73   1HD2  LEU   7          1HD2      LEU   7   0.544  -1.721  -2.586
   74   2HD2  LEU   7          2HD2      LEU   7   0.799  -1.912  -4.321
   75   3HD2  LEU   7          3HD2      LEU   7  -0.599  -2.660  -3.547
   76    H    ASN   8           H        ASN   8  -0.526  -2.685  -8.031
   77    HA   ASN   8           HA       ASN   8  -1.587  -3.315  -9.935
   78   1HB   ASN   8          2HB       ASN   8  -3.889  -1.849  -8.631
   79   2HB   ASN   8          1HB       ASN   8  -4.049  -2.825 -10.086
   80   1HD2  ASN   8          1HD2      ASN   8  -5.368  -3.206  -7.565
   81   2HD2  ASN   8          2HD2      ASN   8  -4.895  -4.767  -6.982
   82    H    ASN   9           H        ASN   9   0.061  -1.486 -10.599
   83    HA   ASN   9           HA       ASN   9   0.604  -0.103 -12.311
   84   1HB   ASN   9          2HB       ASN   9  -2.335  -0.229 -13.006
   85   2HB   ASN   9          1HB       ASN   9  -1.113   0.562 -13.993
   86   1HD2  ASN   9          1HD2      ASN   9   0.386  -0.689 -15.107
   87   2HD2  ASN   9          2HD2      ASN   9   0.148  -2.384 -15.376
   88    H    VAL  10           H        VAL  10  -1.637   0.804  -9.924
   89    HA   VAL  10           HA       VAL  10  -1.579   3.620 -10.736
   90    HB   VAL  10           HB       VAL  10  -3.221   2.291  -8.572
   91   1HG1  VAL  10          1HG1      VAL  10  -4.492   4.373  -8.538
   92   2HG1  VAL  10          2HG1      VAL  10  -3.412   5.061  -9.750
   93   3HG1  VAL  10          3HG1      VAL  10  -2.796   4.662  -8.147
   94   1HG2  VAL  10          1HG2      VAL  10  -3.999   3.161 -11.351
   95   2HG2  VAL  10          2HG2      VAL  10  -5.110   2.575 -10.114
   96   3HG2  VAL  10          3HG2      VAL  10  -3.876   1.501 -10.770
   97    H    THR  11           H        THR  11  -0.071   4.860  -9.862
   98    HA   THR  11           HA       THR  11   1.438   4.094  -7.588
   99    HB   THR  11           HB       THR  11   2.343   5.578  -9.358
  100    HG1  THR  11           HG1      THR  11   2.878   5.663  -6.884
  101   1HG2  THR  11          1HG2      THR  11   0.355   6.939  -9.772
  102   2HG2  THR  11          2HG2      THR  11   1.746   7.955  -9.386
  103   3HG2  THR  11          3HG2      THR  11   0.505   7.658  -8.168
  104    H    LEU  12           H        LEU  12   1.405   5.003  -5.479
  105    HA   LEU  12           HA       LEU  12  -1.118   6.316  -4.761
  106   1HB   LEU  12          2HB       LEU  12  -1.251   3.822  -4.525
  107   2HB   LEU  12          1HB       LEU  12   0.029   3.922  -3.332
  108    HG   LEU  12           HG       LEU  12  -1.458   5.377  -1.948
  109   1HD1  LEU  12          1HD1      LEU  12  -3.850   5.386  -2.465
  110   2HD1  LEU  12          2HD1      LEU  12  -3.523   4.550  -3.983
  111   3HD1  LEU  12          3HD1      LEU  12  -2.913   6.184  -3.729
  112   1HD2  LEU  12          1HD2      LEU  12  -2.510   2.640  -2.646
  113   2HD2  LEU  12          2HD2      LEU  12  -2.841   3.528  -1.158
  114   3HD2  LEU  12          3HD2      LEU  12  -1.200   2.988  -1.518
  115    H    GLU  13           H        GLU  13  -1.048   7.587  -2.942
  116    HA   GLU  13           HA       GLU  13   1.534   7.800  -1.552
  117   1HB   GLU  13          2HB       GLU  13  -0.480   9.971  -2.167
  118   2HB   GLU  13          1HB       GLU  13   0.854  10.173  -1.041
  119   1HG   GLU  13          2HG       GLU  13   2.443   9.734  -2.846
  120   2HG   GLU  13          1HG       GLU  13   1.102   9.546  -3.973
  121    H    MET  14           H        MET  14   1.372   8.282   0.745
  122    HA   MET  14           HA       MET  14  -1.138   7.339   1.908
  123   1HB   MET  14          2HB       MET  14   1.611   6.284   2.623
  124   2HB   MET  14          1HB       MET  14   0.122   5.869   3.447
  125   1HG   MET  14          2HG       MET  14   0.588   4.049   2.069
  126   2HG   MET  14          1HG       MET  14  -0.679   4.940   1.231
  127   1HE   MET  14          1HE       MET  14   3.248   4.485   1.452
  128   2HE   MET  14          2HE       MET  14   3.005   6.231   1.370
  129   3HE   MET  14          3HE       MET  14   3.756   5.383   0.020
  130    H    ALA  15           H        ALA  15  -1.432   7.952   4.075
  131    HA   ALA  15           HA       ALA  15   0.074  10.346   4.796
  132   1HB   ALA  15          1HB       ALA  15  -2.447   9.207   5.974
  133   2HB   ALA  15          2HB       ALA  15  -2.366  10.449   4.722
  134   3HB   ALA  15          3HB       ALA  15  -1.742  10.783   6.341
  135    H    ALA  16           H        ALA  16  -1.003   7.275   6.196
  136    HA   ALA  16           HA       ALA  16   1.363   7.375   7.932
  137   1HB   ALA  16          1HB       ALA  16  -1.299   6.191   8.710
  138   2HB   ALA  16          2HB       ALA  16  -0.696   7.759   9.246
  139   3HB   ALA  16          3HB       ALA  16   0.151   6.283   9.708
  140    H    TYR  17           H        TYR  17   2.490   6.208   6.396
  141    HA   TYR  17           HA       TYR  17   1.557   3.580   5.613
  142   1HB   TYR  17          2HB       TYR  17   2.894   5.033   4.077
  143   2HB   TYR  17          1HB       TYR  17   4.265   4.857   5.165
  144    HD1  TYR  17           HD2      TYR  17   1.954   2.924   2.986
  145    HD2  TYR  17           HD1      TYR  17   5.720   3.019   4.961
  146    HE1  TYR  17           HE2      TYR  17   2.630   0.885   1.786
  147    HE2  TYR  17           HE1      TYR  17   6.407   0.982   3.765
  148    HH   TYR  17           HH       TYR  17   4.655  -0.262   1.111
  149    H    GLN  18           H        GLN  18   1.425   2.312   7.417
  150    HA   GLN  18           HA       GLN  18   3.814   2.106   9.112
  151   1HB   GLN  18          2HB       GLN  18   1.717   2.662  10.272
  152   2HB   GLN  18          1HB       GLN  18   0.980   1.193   9.645
  153   1HG   GLN  18          2HG       GLN  18   2.641  -0.137  10.880
  154   2HG   GLN  18          1HG       GLN  18   3.307   1.350  11.552
  155   1HE2  GLN  18          1HE2      GLN  18   2.079  -0.957  12.868
  156   2HE2  GLN  18          2HE2      GLN  18   0.768  -0.327  13.802
  157    H    GLU  19           H        GLU  19   5.081   0.690   8.006
  158    HA   GLU  19           HA       GLU  19   3.913  -1.918   7.346
  159   1HB   GLU  19          2HB       GLU  19   5.184  -0.522   5.611
  160   2HB   GLU  19          1HB       GLU  19   6.626  -0.924   6.521
  161   1HG   GLU  19          2HG       GLU  19   4.866  -3.144   5.644
  162   2HG   GLU  19          1HG       GLU  19   5.860  -2.332   4.438
  163    H    GLU  20           H        GLU  20   4.376  -3.578   8.556
  164    HA   GLU  20           HA       GLU  20   6.546  -3.350  10.543
  165   1HB   GLU  20          2HB       GLU  20   3.885  -4.739  10.932
  166   2HB   GLU  20          1HB       GLU  20   5.167  -4.574  12.127
  167   1HG   GLU  20          2HG       GLU  20   4.866  -2.094  11.972
  168   2HG   GLU  20          1HG       GLU  20   3.445  -2.394  10.974
  169    H    SER  21           H        SER  21   8.093  -4.689  10.001
  170    HA   SER  21           HA       SER  21   7.465  -7.025   8.372
  171   1HB   SER  21          2HB       SER  21  10.145  -5.849   9.073
  172   2HB   SER  21          1HB       SER  21   9.803  -7.015   7.798
  173    HG   SER  21           HG       SER  21   8.215  -5.016   7.280
  174    H    GLU  22           H        GLU  22   7.354  -6.716  11.486
  175    HA   GLU  22           HA       GLU  22   9.437  -8.544  12.187
  176   1HB   GLU  22          2HB       GLU  22   7.790  -6.695  13.723
  177   2HB   GLU  22          1HB       GLU  22   8.324  -8.154  14.563
  178   1HG   GLU  22          2HG       GLU  22  10.591  -7.705  13.981
  179   2HG   GLU  22          1HG       GLU  22  10.106  -6.281  13.059
  180    HA   PRO  23           HA       PRO  23   6.258 -11.467  13.614
  181   1HB   PRO  23          2HB       PRO  23   3.711 -10.602  12.458
  182   2HB   PRO  23          1HB       PRO  23   4.059 -11.124  14.104
  183   1HG   PRO  23          2HG       PRO  23   3.486  -8.559  13.499
  184   2HG   PRO  23          1HG       PRO  23   4.617  -8.998  14.794
  185   1HD   PRO  23          2HD       PRO  23   5.196  -8.068  12.011
  186   2HD   PRO  23          1HD       PRO  23   6.017  -7.653  13.533
  187    H    LYS  24           H        LYS  24   6.086  -9.731  10.741
  188    HA   LYS  24           HA       LYS  24   6.801 -11.634   8.898
  189   1HB   LYS  24          2HB       LYS  24   4.406 -12.509   9.478
  190   2HB   LYS  24          1HB       LYS  24   3.840 -11.095   8.601
  191   1HG   LYS  24          2HG       LYS  24   5.050 -11.860   6.607
  192   2HG   LYS  24          1HG       LYS  24   5.570 -13.295   7.490
  193   1HD   LYS  24          2HD       LYS  24   3.160 -13.859   7.837
  194   2HD   LYS  24          1HD       LYS  24   2.748 -12.513   6.774
  195   1HE   LYS  24          2HE       LYS  24   4.073 -13.568   4.977
  196   2HE   LYS  24          1HE       LYS  24   4.392 -14.937   6.041
  197   1HZ   LYS  24          1HZ       LYS  24   1.916 -15.213   6.176
  198   2HZ   LYS  24          2HZ       LYS  24   2.595 -15.547   4.662
  199   3HZ   LYS  24          3HZ       LYS  24   1.786 -14.082   4.919
  200    H    ARG  25           H        ARG  25   6.299 -10.542   6.571
  201    HA   ARG  25           HA       ARG  25   6.561  -7.698   6.991
  202   1HB   ARG  25          2HB       ARG  25   6.560  -9.337   4.455
  203   2HB   ARG  25          1HB       ARG  25   6.743  -7.585   4.492
  204   1HG   ARG  25          2HG       ARG  25   8.691  -7.997   6.087
  205   2HG   ARG  25          1HG       ARG  25   8.595  -9.680   5.570
  206   1HD   ARG  25          2HD       ARG  25   8.938  -7.335   3.713
  207   2HD   ARG  25          1HD       ARG  25  10.260  -8.324   4.326
  208    HE   ARG  25           HE       ARG  25   8.129  -9.731   2.913
  209   1HH1  ARG  25          1HH1      ARG  25  11.346  -8.331   2.848
  210   2HH1  ARG  25          2HH1      ARG  25  11.818  -9.170   1.398
  211   1HH2  ARG  25          1HH2      ARG  25   8.734 -10.824   1.005
  212   2HH2  ARG  25          2HH2      ARG  25  10.336 -10.590   0.358
  213    H    LYS  26           H        LYS  26   4.858  -6.574   7.460
  214    HA   LYS  26           HA       LYS  26   2.301  -7.180   6.118
  215   1HB   LYS  26          2HB       LYS  26   2.346  -7.852   8.502
  216   2HB   LYS  26          1HB       LYS  26   2.746  -6.201   8.944
  217   1HG   LYS  26          2HG       LYS  26   0.578  -5.525   7.830
  218   2HG   LYS  26          1HG       LYS  26   0.186  -7.245   7.786
  219   1HD   LYS  26          2HD       LYS  26  -0.816  -6.302   9.748
  220   2HD   LYS  26          1HD       LYS  26   0.536  -7.317  10.258
  221   1HE   LYS  26          2HE       LYS  26   1.911  -5.427  10.675
  222   2HE   LYS  26          1HE       LYS  26   0.785  -4.345   9.858
  223   1HZ   LYS  26          1HZ       LYS  26   0.657  -4.172  12.285
  224   2HZ   LYS  26          2HZ       LYS  26   0.208  -5.806  12.383
  225   3HZ   LYS  26          3HZ       LYS  26  -0.813  -4.693  11.610
  226    H    ILE  27           H        ILE  27   1.727  -5.569   4.819
  227    HA   ILE  27           HA       ILE  27   2.770  -2.874   5.314
  228    HB   ILE  27           HB       ILE  27   1.372  -3.971   2.864
  229   1HG1  ILE  27          2HG1      ILE  27   4.311  -3.419   3.343
  230   2HG1  ILE  27          1HG1      ILE  27   3.576  -5.016   3.276
  231   1HG2  ILE  27          1HG2      ILE  27   2.838  -1.372   3.285
  232   2HG2  ILE  27          2HG2      ILE  27   1.093  -1.563   3.120
  233   3HG2  ILE  27          3HG2      ILE  27   2.156  -1.936   1.762
  234   1HD1  ILE  27          1HD1      ILE  27   3.705  -3.035   1.014
  235   2HD1  ILE  27          2HD1      ILE  27   2.965  -4.634   0.944
  236   3HD1  ILE  27          3HD1      ILE  27   4.703  -4.477   1.198
  237    H    ALA  28           H        ALA  28   1.438  -1.911   6.775
  238    HA   ALA  28           HA       ALA  28  -1.441  -1.870   6.153
  239   1HB   ALA  28          1HB       ALA  28  -0.979  -2.750   8.368
  240   2HB   ALA  28          2HB       ALA  28  -1.756  -1.173   8.509
  241   3HB   ALA  28          3HB       ALA  28  -0.019  -1.326   8.762
  242    H    PHE  29           H        PHE  29  -1.600  -0.178   4.734
  243    HA   PHE  29           HA       PHE  29  -0.296   2.333   5.512
  244   1HB   PHE  29          2HB       PHE  29  -0.674   3.062   3.182
  245   2HB   PHE  29          1HB       PHE  29   0.300   1.603   3.284
  246    HD1  PHE  29           HD1      PHE  29  -0.641  -0.561   2.603
  247    HD2  PHE  29           HD2      PHE  29  -2.802   3.074   2.121
  248    HE1  PHE  29           HE1      PHE  29  -2.142  -1.670   1.003
  249    HE2  PHE  29           HE2      PHE  29  -4.311   1.969   0.525
  250    HZ   PHE  29           HZ       PHE  29  -3.981  -0.405  -0.036
  251    H    THR  30           H        THR  30  -1.382   4.062   6.079
  252    HA   THR  30           HA       THR  30  -4.306   3.935   6.110
  253    HB   THR  30           HB       THR  30  -2.558   6.000   7.450
  254    HG1  THR  30           HG1      THR  30  -2.717   3.376   7.991
  255   1HG2  THR  30          1HG2      THR  30  -4.482   6.231   8.947
  256   2HG2  THR  30          2HG2      THR  30  -5.347   4.997   8.031
  257   3HG2  THR  30          3HG2      THR  30  -4.941   6.538   7.272
  258    H    LEU  31           H        LEU  31  -5.301   4.854   4.463
  259    HA   LEU  31           HA       LEU  31  -4.003   7.052   3.014
  260   1HB   LEU  31          2HB       LEU  31  -4.850   4.943   1.856
  261   2HB   LEU  31          1HB       LEU  31  -6.468   5.501   2.218
  262    HG   LEU  31           HG       LEU  31  -4.560   7.205   0.632
  263   1HD1  LEU  31          1HD1      LEU  31  -6.413   5.071  -0.407
  264   2HD1  LEU  31          2HD1      LEU  31  -4.651   5.085  -0.516
  265   3HD1  LEU  31          3HD1      LEU  31  -5.599   6.287  -1.393
  266   1HD2  LEU  31          1HD2      LEU  31  -6.632   8.130  -0.278
  267   2HD2  LEU  31          2HD2      LEU  31  -6.569   8.297   1.477
  268   3HD2  LEU  31          3HD2      LEU  31  -7.571   7.043   0.747
  269    H    ASN  32           H        ASN  32  -4.693   9.078   3.331
  270    HA   ASN  32           HA       ASN  32  -6.962   9.564   5.036
  271   1HB   ASN  32          2HB       ASN  32  -4.921  10.928   5.264
  272   2HB   ASN  32          1HB       ASN  32  -5.148  11.542   3.631
  273   1HD2  ASN  32          1HD2      ASN  32  -6.508  11.484   6.869
  274   2HD2  ASN  32          2HD2      ASN  32  -7.395  12.956   6.706
  275    H    VAL  33           H        VAL  33  -8.897   9.424   4.249
  276    HA   VAL  33           HA       VAL  33  -9.483   9.830   1.471
  277    HB   VAL  33           HB       VAL  33 -11.351   9.297   3.773
  278   1HG1  VAL  33          1HG1      VAL  33 -12.963   8.653   2.040
  279   2HG1  VAL  33          2HG1      VAL  33 -11.820   9.155   0.793
  280   3HG1  VAL  33          3HG1      VAL  33 -12.503  10.349   1.899
  281   1HG2  VAL  33          1HG2      VAL  33 -11.395   7.011   2.756
  282   2HG2  VAL  33          2HG2      VAL  33  -9.876   7.459   3.530
  283   3HG2  VAL  33          3HG2      VAL  33 -10.014   7.497   1.772
  284    H    THR  34           H        THR  34  -9.709  11.818   0.672
  285    HA   THR  34           HA       THR  34 -11.125  13.804   2.316
  286    HB   THR  34           HB       THR  34 -10.075  15.496   0.735
  287    HG1  THR  34           HG1      THR  34  -8.028  13.655   0.240
  288   1HG2  THR  34          1HG2      THR  34  -8.211  13.892   2.482
  289   2HG2  THR  34          2HG2      THR  34  -9.287  15.176   3.031
  290   3HG2  THR  34          3HG2      THR  34  -7.952  15.549   1.940
  291    H    SER  35           H        SER  35 -12.375  15.398   0.895
  292    HA   SER  35           HA       SER  35 -14.328  14.046  -0.561
  293   1HB   SER  35          2HB       SER  35 -14.525  16.351   0.468
  294   2HB   SER  35          1HB       SER  35 -13.604  16.967  -0.902
  295    HG   SER  35           HG       SER  35 -16.176  15.787  -0.875
  296    H    GLU  36           H        GLU  36 -11.279  15.391  -1.499
  297    HA   GLU  36           HA       GLU  36 -11.603  15.421  -4.297
  298   1HB   GLU  36          2HB       GLU  36  -9.820  16.597  -3.070
  299   2HB   GLU  36          1HB       GLU  36  -9.112  15.053  -2.625
  300   1HG   GLU  36          2HG       GLU  36  -8.670  14.577  -4.978
  301   2HG   GLU  36          1HG       GLU  36  -9.372  16.135  -5.420
  302    H    THR  37           H        THR  37  -9.887  13.023  -2.244
  303    HA   THR  37           HA       THR  37  -9.566  11.256  -4.468
  304    HB   THR  37           HB       THR  37  -8.647   9.697  -2.672
  305    HG1  THR  37           HG1      THR  37  -8.131  10.879  -0.681
  306   1HG2  THR  37          1HG2      THR  37  -7.434  12.448  -2.963
  307   2HG2  THR  37          2HG2      THR  37  -7.197  11.085  -4.057
  308   3HG2  THR  37          3HG2      THR  37  -6.583  11.007  -2.405
  309    H    TYR  38           H        TYR  38 -11.969  11.729  -2.081
  310    HA   TYR  38           HA       TYR  38 -13.011   9.302  -1.467
  311   1HB   TYR  38          2HB       TYR  38 -14.050  11.189  -0.518
  312   2HB   TYR  38          1HB       TYR  38 -14.392  11.901  -2.090
  313    HD1  TYR  38           HD1      TYR  38 -15.338   9.075   0.146
  314    HD2  TYR  38           HD2      TYR  38 -16.438  11.532  -3.151
  315    HE1  TYR  38           HE1      TYR  38 -17.592   8.092   0.168
  316    HE2  TYR  38           HE2      TYR  38 -18.691  10.557  -3.134
  317    HH   TYR  38           HH       TYR  38 -19.893   8.713  -0.592
  318    H    HIS  39           H        HIS  39 -13.462  10.984  -4.541
  319    HA   HIS  39           HA       HIS  39 -15.528   9.385  -5.554
  320   1HB   HIS  39          2HB       HIS  39 -13.384  10.952  -6.995
  321   2HB   HIS  39          1HB       HIS  39 -14.748  10.190  -7.805
  322    HD1  HIS  39           HD1      HIS  39 -13.777  13.378  -6.724
  323    HD2  HIS  39           HD2      HIS  39 -17.292  11.177  -6.356
  324    HE1  HIS  39           HE1      HIS  39 -15.586  15.057  -6.248
  325    HE2  HIS  39           HE2      HIS  39 -17.727  13.722  -6.189
  326    H    ASP  40           H        ASP  40 -12.109   8.803  -5.345
  327    HA   ASP  40           HA       ASP  40 -12.351   6.470  -7.104
  328   1HB   ASP  40          2HB       ASP  40 -10.484   8.143  -7.431
  329   2HB   ASP  40          1HB       ASP  40  -9.831   7.612  -5.885
  330    H    ILE  41           H        ILE  41 -11.534   7.423  -3.806
  331    HA   ILE  41           HA       ILE  41 -10.593   4.899  -2.939
  332    HB   ILE  41           HB       ILE  41 -11.927   6.873  -1.095
  333   1HG1  ILE  41          2HG1      ILE  41 -10.421   8.204  -2.471
  334   2HG1  ILE  41          1HG1      ILE  41  -9.750   8.016  -0.854
  335   1HG2  ILE  41          1HG2      ILE  41  -9.625   4.960  -0.744
  336   2HG2  ILE  41          2HG2      ILE  41 -11.261   4.767  -0.114
  337   3HG2  ILE  41          3HG2      ILE  41 -10.230   6.065   0.490
  338   1HD1  ILE  41          1HD1      ILE  41  -8.223   6.317  -1.684
  339   2HD1  ILE  41          2HD1      ILE  41  -8.048   7.833  -2.571
  340   3HD1  ILE  41          3HD1      ILE  41  -8.914   6.480  -3.299
  341    H    ALA  42           H        ALA  42 -13.794   6.187  -3.351
  342    HA   ALA  42           HA       ALA  42 -15.147   4.329  -1.665
  343   1HB   ALA  42          1HB       ALA  42 -16.144   6.451  -2.360
  344   2HB   ALA  42          2HB       ALA  42 -17.170   5.075  -2.763
  345   3HB   ALA  42          3HB       ALA  42 -16.220   5.866  -4.022
  346    H    VAL  43           H        VAL  43 -13.615   4.014  -4.664
  347    HA   VAL  43           HA       VAL  43 -15.099   1.574  -5.328
  348    HB   VAL  43           HB       VAL  43 -12.782   2.796  -6.842
  349   1HG1  VAL  43          1HG1      VAL  43 -13.165   0.474  -7.368
  350   2HG1  VAL  43          2HG1      VAL  43 -13.673   1.483  -8.722
  351   3HG1  VAL  43          3HG1      VAL  43 -14.879   0.787  -7.639
  352   1HG2  VAL  43          1HG2      VAL  43 -14.588   4.420  -6.726
  353   2HG2  VAL  43          2HG2      VAL  43 -15.735   3.207  -7.297
  354   3HG2  VAL  43          3HG2      VAL  43 -14.441   3.767  -8.357
  355    H    LEU  44           H        LEU  44 -12.073   2.765  -4.106
  356    HA   LEU  44           HA       LEU  44 -10.866   0.113  -4.090
  357   1HB   LEU  44          2HB       LEU  44  -9.550   2.113  -4.780
  358   2HB   LEU  44          1HB       LEU  44  -9.739   2.758  -3.161
  359    HG   LEU  44           HG       LEU  44  -8.512   0.768  -2.286
  360   1HD1  LEU  44          1HD1      LEU  44  -8.964  -0.765  -4.116
  361   2HD1  LEU  44          2HD1      LEU  44  -7.226  -0.583  -3.865
  362   3HD1  LEU  44          3HD1      LEU  44  -8.014   0.243  -5.208
  363   1HD2  LEU  44          1HD2      LEU  44  -7.009   2.384  -4.338
  364   2HD2  LEU  44          2HD2      LEU  44  -6.321   1.560  -2.937
  365   3HD2  LEU  44          3HD2      LEU  44  -7.408   2.929  -2.710
  366    H    LEU  45           H        LEU  45 -12.414  -0.745  -2.551
  367    HA   LEU  45           HA       LEU  45 -11.708  -0.018   0.188
  368   1HB   LEU  45          2HB       LEU  45 -14.223  -0.921   0.558
  369   2HB   LEU  45          1HB       LEU  45 -13.798   0.769   0.412
  370    HG   LEU  45           HG       LEU  45 -14.363   0.630  -2.032
  371   1HD1  LEU  45          1HD1      LEU  45 -15.496  -2.048  -1.257
  372   2HD1  LEU  45          2HD1      LEU  45 -14.141  -1.768  -2.351
  373   3HD1  LEU  45          3HD1      LEU  45 -15.759  -1.218  -2.790
  374   1HD2  LEU  45          1HD2      LEU  45 -16.774   0.696  -1.667
  375   2HD2  LEU  45          2HD2      LEU  45 -15.907   1.567  -0.402
  376   3HD2  LEU  45          3HD2      LEU  45 -16.558  -0.040  -0.080
  377    H    TYR  46           H        TYR  46 -10.298  -1.626   0.347
  378    HA   TYR  46           HA       TYR  46  -9.467  -3.686   0.779
  379   1HB   TYR  46          2HB       TYR  46 -12.350  -4.086   1.511
  380   2HB   TYR  46          1HB       TYR  46 -11.225  -5.440   1.546
  381    HD1  TYR  46           HD2      TYR  46  -9.319  -2.669   2.233
  382    HD2  TYR  46           HD1      TYR  46 -12.278  -5.137   4.021
  383    HE1  TYR  46           HE2      TYR  46  -8.538  -1.976   4.463
  384    HE2  TYR  46           HE1      TYR  46 -11.508  -4.459   6.258
  385    HH   TYR  46           HH       TYR  46  -9.166  -1.906   6.688
  386    H    GLU  47           H        GLU  47  -8.861  -3.894  -1.435
  387    HA   GLU  47           HA       GLU  47 -10.635  -5.405  -3.112
  388   1HB   GLU  47          2HB       GLU  47  -7.874  -4.310  -3.553
  389   2HB   GLU  47          1HB       GLU  47  -8.621  -5.437  -4.686
  390   1HG   GLU  47          2HG       GLU  47  -9.873  -2.827  -3.858
  391   2HG   GLU  47          1HG       GLU  47  -8.853  -3.025  -5.285
  392    H    LYS  48           H        LYS  48  -8.852  -7.002  -4.460
  393    HA   LYS  48           HA       LYS  48  -8.780  -9.161  -2.491
  394   1HB   LYS  48          2HB       LYS  48  -8.959  -9.322  -5.506
  395   2HB   LYS  48          1HB       LYS  48  -9.123 -10.659  -4.377
  396   1HG   LYS  48          2HG       LYS  48 -11.299 -10.129  -5.036
  397   2HG   LYS  48          1HG       LYS  48 -11.135  -9.432  -3.431
  398   1HD   LYS  48          2HD       LYS  48 -10.654  -7.239  -4.533
  399   2HD   LYS  48          1HD       LYS  48 -11.020  -7.999  -6.083
  400   1HE   LYS  48          2HE       LYS  48 -13.276  -8.528  -5.286
  401   2HE   LYS  48          1HE       LYS  48 -12.911  -7.756  -3.745
  402   1HZ   LYS  48          1HZ       LYS  48 -12.984  -6.424  -6.398
  403   2HZ   LYS  48          2HZ       LYS  48 -12.560  -5.659  -4.946
  404   3HZ   LYS  48          3HZ       LYS  48 -14.133  -6.256  -5.162
  405    H    THR  49           H        THR  49  -7.088  -8.277  -5.521
  406    HA   THR  49           HA       THR  49  -4.614  -9.202  -4.229
  407    HB   THR  49           HB       THR  49  -3.793  -9.608  -6.602
  408    HG1  THR  49           HG1      THR  49  -6.555  -9.753  -7.261
  409   1HG2  THR  49          1HG2      THR  49  -6.108 -11.292  -5.626
  410   2HG2  THR  49          2HG2      THR  49  -4.436 -11.432  -5.079
  411   3HG2  THR  49          3HG2      THR  49  -4.849 -11.804  -6.753
  412    H    PHE  50           H        PHE  50  -3.254  -7.621  -3.779
  413    HA   PHE  50           HA       PHE  50  -3.256  -5.225  -5.478
  414   1HB   PHE  50          2HB       PHE  50  -2.331  -5.686  -2.640
  415   2HB   PHE  50          1HB       PHE  50  -1.905  -4.240  -3.547
  416    HD1  PHE  50           HD2      PHE  50  -3.861  -2.883  -4.523
  417    HD2  PHE  50           HD1      PHE  50  -4.299  -5.733  -1.389
  418    HE1  PHE  50           HE2      PHE  50  -5.964  -1.810  -3.841
  419    HE2  PHE  50           HE1      PHE  50  -6.399  -4.667  -0.711
  420    HZ   PHE  50           HZ       PHE  50  -7.237  -2.699  -1.933
  421    H    ASN  51           H        ASN  51  -1.789  -5.424  -7.077
  422    HA   ASN  51           HA       ASN  51   0.684  -6.831  -6.753
  423   1HB   ASN  51          2HB       ASN  51  -0.275  -4.894  -8.869
  424   2HB   ASN  51          1HB       ASN  51   1.321  -5.635  -8.907
  425   1HD2  ASN  51          1HD2      ASN  51  -2.081  -6.120  -9.319
  426   2HD2  ASN  51          2HD2      ASN  51  -1.973  -7.696 -10.027
  427    H    VAL  52           H        VAL  52   1.899  -6.081  -5.124
  428    HA   VAL  52           HA       VAL  52   2.129  -3.257  -4.581
  429    HB   VAL  52           HB       VAL  52   3.600  -5.560  -3.283
  430   1HG1  VAL  52          1HG1      VAL  52   3.986  -4.014  -1.448
  431   2HG1  VAL  52          2HG1      VAL  52   3.133  -2.741  -2.323
  432   3HG1  VAL  52          3HG1      VAL  52   4.655  -3.375  -2.949
  433   1HG2  VAL  52          1HG2      VAL  52   1.043  -4.194  -2.445
  434   2HG2  VAL  52          2HG2      VAL  52   1.922  -5.391  -1.497
  435   3HG2  VAL  52          3HG2      VAL  52   1.198  -5.848  -3.040
  436    H    GLU  53           H        GLU  53   3.621  -1.961  -5.361
  437    HA   GLU  53           HA       GLU  53   6.210  -3.052  -6.191
  438   1HB   GLU  53          2HB       GLU  53   4.700  -2.823  -8.173
  439   2HB   GLU  53          1HB       GLU  53   4.570  -1.105  -7.823
  440   1HG   GLU  53          2HG       GLU  53   6.987  -0.871  -8.161
  441   2HG   GLU  53          1HG       GLU  53   7.082  -2.586  -8.561
  442    H    VAL  54           H        VAL  54   7.839  -1.960  -5.476
  443    HA   VAL  54           HA       VAL  54   7.513   0.841  -4.755
  444    HB   VAL  54           HB       VAL  54   6.907  -0.340  -2.722
  445   1HG1  VAL  54          1HG1      VAL  54   9.609  -1.655  -2.861
  446   2HG1  VAL  54          2HG1      VAL  54   8.058  -2.453  -3.132
  447   3HG1  VAL  54          3HG1      VAL  54   8.447  -1.792  -1.543
  448   1HG2  VAL  54          1HG2      VAL  54   8.099   1.727  -2.503
  449   2HG2  VAL  54          2HG2      VAL  54   9.640   0.878  -2.591
  450   3HG2  VAL  54          3HG2      VAL  54   8.569   0.622  -1.214
  451    HA   PRO  55           HA       PRO  55  11.434   0.756  -6.878
  452   1HB   PRO  55          2HB       PRO  55  11.502   3.596  -6.071
  453   2HB   PRO  55          1HB       PRO  55  11.568   2.880  -7.685
  454   1HG   PRO  55          2HG       PRO  55   9.384   4.149  -6.826
  455   2HG   PRO  55          1HG       PRO  55   9.266   2.700  -7.841
  456   1HD   PRO  55          2HD       PRO  55   8.912   2.973  -4.877
  457   2HD   PRO  55          1HD       PRO  55   7.956   2.032  -6.041
  458    H    GLU  56           H        GLU  56  11.237   2.725  -3.884
  459    HA   GLU  56           HA       GLU  56  13.915   2.949  -3.357
  460   1HB   GLU  56          2HB       GLU  56  12.997   2.764  -0.816
  461   2HB   GLU  56          1HB       GLU  56  12.879   4.204  -1.813
  462   1HG   GLU  56          2HG       GLU  56  10.675   2.214  -1.937
  463   2HG   GLU  56          1HG       GLU  56  10.808   3.238  -0.508
  464    H    ARG  57           H        ARG  57  11.869   0.192  -2.454
  465    HA   ARG  57           HA       ARG  57  14.273  -1.138  -1.410
  466   1HB   ARG  57          2HB       ARG  57  11.353  -1.819  -1.024
  467   2HB   ARG  57          1HB       ARG  57  12.691  -2.747  -0.366
  468   1HG   ARG  57          2HG       ARG  57  13.405  -0.684   0.856
  469   2HG   ARG  57          1HG       ARG  57  11.908   0.074   0.322
  470   1HD   ARG  57          2HD       ARG  57  12.111  -2.437   1.979
  471   2HD   ARG  57          1HD       ARG  57  11.727  -0.832   2.594
  472    HE   ARG  57           HE       ARG  57   9.926  -1.611   0.539
  473   1HH1  ARG  57          1HH1      ARG  57  10.679  -2.070   3.921
  474   2HH1  ARG  57          2HH1      ARG  57   9.054  -2.527   4.362
  475   1HH2  ARG  57          1HH2      ARG  57   7.767  -2.187   1.124
  476   2HH2  ARG  57          2HH2      ARG  57   7.414  -2.583   2.771
  477    H    ASP  58           H        ASP  58  12.753  -0.841  -4.219
  478    HA   ASP  58           HA       ASP  58  12.247  -2.087  -6.051
  479   1HB   ASP  58          2HB       ASP  58  14.730  -2.006  -6.083
  480   2HB   ASP  58          1HB       ASP  58  14.762  -3.560  -5.254
  481    H    LEU  59           H        LEU  59  10.433  -2.894  -4.637
  482    HA   LEU  59           HA       LEU  59  10.599  -5.826  -4.384
  483   1HB   LEU  59          2HB       LEU  59  10.164  -4.029  -2.346
  484   2HB   LEU  59          1HB       LEU  59   8.533  -4.464  -2.809
  485    HG   LEU  59           HG       LEU  59  10.688  -6.356  -1.870
  486   1HD1  LEU  59          1HD1      LEU  59   9.159  -6.668   0.035
  487   2HD1  LEU  59          2HD1      LEU  59   8.121  -5.399  -0.617
  488   3HD1  LEU  59          3HD1      LEU  59   9.759  -5.014  -0.092
  489   1HD2  LEU  59          1HD2      LEU  59   7.835  -6.927  -2.663
  490   2HD2  LEU  59          2HD2      LEU  59   8.965  -8.079  -1.954
  491   3HD2  LEU  59          3HD2      LEU  59   9.274  -7.415  -3.558
  492    H    ALA  60           H        ALA  60   9.136  -6.937  -5.544
  493    HA   ALA  60           HA       ALA  60   6.641  -5.652  -6.337
  494   1HB   ALA  60          1HB       ALA  60   6.896  -6.242  -8.671
  495   2HB   ALA  60          2HB       ALA  60   8.478  -6.954  -8.346
  496   3HB   ALA  60          3HB       ALA  60   8.238  -5.215  -8.165
  497    H    PHE  61           H        PHE  61   5.166  -6.968  -5.566
  498    HA   PHE  61           HA       PHE  61   5.034  -9.686  -6.510
  499   1HB   PHE  61          2HB       PHE  61   4.924 -10.796  -4.388
  500   2HB   PHE  61          1HB       PHE  61   6.403  -9.844  -4.380
  501    HD1  PHE  61           HD1      PHE  61   6.222  -7.484  -3.285
  502    HD2  PHE  61           HD2      PHE  61   3.453 -10.653  -2.595
  503    HE1  PHE  61           HE1      PHE  61   5.526  -6.415  -1.182
  504    HE2  PHE  61           HE2      PHE  61   2.757  -9.581  -0.495
  505    HZ   PHE  61           HZ       PHE  61   3.788  -7.463   0.214
  506    H    ARG  62           H        ARG  62   2.874 -10.555  -6.270
  507    HA   ARG  62           HA       ARG  62   0.925  -8.419  -5.915
  508   1HB   ARG  62          2HB       ARG  62   0.836 -10.011  -7.882
  509   2HB   ARG  62          1HB       ARG  62   0.374 -11.270  -6.742
  510   1HG   ARG  62          2HG       ARG  62  -1.604  -9.992  -6.117
  511   2HG   ARG  62          1HG       ARG  62  -1.141  -8.718  -7.246
  512   1HD   ARG  62          2HD       ARG  62  -2.784 -10.049  -8.323
  513   2HD   ARG  62          1HD       ARG  62  -1.234 -10.428  -9.072
  514    HE   ARG  62           HE       ARG  62  -2.203 -12.166  -6.925
  515   1HH1  ARG  62          1HH1      ARG  62  -1.541 -11.666 -10.324
  516   2HH1  ARG  62          2HH1      ARG  62  -1.743 -13.338 -10.741
  517   1HH2  ARG  62          1HH2      ARG  62  -2.458 -14.365  -7.457
  518   2HH2  ARG  62          2HH2      ARG  62  -2.206 -14.884  -9.101
  519    H    GLY  63           H        GLY  63   0.972  -8.130  -3.710
  520   1HA   GLY  63          2HA       GLY  63   0.486 -10.346  -1.919
  521   2HA   GLY  63          1HA       GLY  63   0.621  -8.645  -1.476
  522    H    GLU  64           H        GLU  64  -1.464 -11.157  -1.565
  523    HA   GLU  64           HA       GLU  64  -3.757  -9.678  -2.498
  524   1HB   GLU  64          2HB       GLU  64  -4.965 -11.666  -2.343
  525   2HB   GLU  64          1HB       GLU  64  -3.361 -12.191  -2.804
  526   1HG   GLU  64          2HG       GLU  64  -2.931 -13.134  -0.755
  527   2HG   GLU  64          1HG       GLU  64  -4.127 -12.135   0.074
  528    H    MET  65           H        MET  65  -5.582  -9.192  -1.219
  529    HA   MET  65           HA       MET  65  -4.859  -8.642   1.588
  530   1HB   MET  65          2HB       MET  65  -5.291  -6.760  -0.173
  531   2HB   MET  65          1HB       MET  65  -6.980  -7.146   0.093
  532   1HG   MET  65          2HG       MET  65  -5.058  -6.370   2.262
  533   2HG   MET  65          1HG       MET  65  -6.113  -5.240   1.420
  534   1HE   MET  65          1HE       MET  65  -7.874  -5.321   4.806
  535   2HE   MET  65          2HE       MET  65  -7.146  -4.353   3.520
  536   3HE   MET  65          3HE       MET  65  -6.135  -5.384   4.533
  537    H    THR  66           H        THR  66  -5.945  -9.714   3.029
  538    HA   THR  66           HA       THR  66  -8.669 -10.629   2.467
  539    HB   THR  66           HB       THR  66  -7.179 -12.464   1.829
  540    HG1  THR  66           HG1      THR  66  -9.195 -12.727   3.305
  541   1HG2  THR  66          1HG2      THR  66  -6.116 -12.330   4.650
  542   2HG2  THR  66          2HG2      THR  66  -5.246 -11.812   3.205
  543   3HG2  THR  66          3HG2      THR  66  -5.669 -13.515   3.423
  544    H    ASN  67           H        ASN  67  -7.376  -8.548   4.124
  545    HA   ASN  67           HA       ASN  67  -7.830  -9.605   6.840
  546   1HB   ASN  67          2HB       ASN  67  -6.179  -7.244   5.920
  547   2HB   ASN  67          1HB       ASN  67  -6.395  -7.731   7.598
  548   1HD2  ASN  67          1HD2      ASN  67  -4.078  -7.616   5.629
  549   2HD2  ASN  67          2HD2      ASN  67  -3.316  -9.168   5.797
  550    H    TYR  68           H        TYR  68  -8.846  -8.226   8.398
  551    HA   TYR  68           HA       TYR  68 -10.544  -6.111   7.235
  552   1HB   TYR  68          2HB       TYR  68 -11.799  -8.214   7.854
  553   2HB   TYR  68          1HB       TYR  68 -11.315  -7.944   9.524
  554    HD1  TYR  68           HD1      TYR  68 -13.370  -6.659   6.747
  555    HD2  TYR  68           HD2      TYR  68 -12.423  -6.309  10.879
  556    HE1  TYR  68           HE1      TYR  68 -15.354  -5.245   7.074
  557    HE2  TYR  68           HE2      TYR  68 -14.405  -4.893  11.219
  558    HH   TYR  68           HH       TYR  68 -16.870  -4.590   8.894
  559    H    SER  69           H        SER  69  -9.340  -4.376   7.857
  560    HA   SER  69           HA       SER  69  -8.593  -4.202  10.703
  561   1HB   SER  69          2HB       SER  69  -7.200  -2.822   8.403
  562   2HB   SER  69          1HB       SER  69  -6.631  -2.995  10.063
  563    HG   SER  69           HG       SER  69  -6.331  -5.183   9.723
  564    H    THR  70           H        THR  70 -11.035  -3.329   9.177
  565    HA   THR  70           HA       THR  70 -11.273  -0.706   8.567
  566    HB   THR  70           HB       THR  70 -13.288  -2.270  10.188
  567    HG1  THR  70           HG1      THR  70 -14.066  -2.825   8.047
  568   1HG2  THR  70          1HG2      THR  70 -13.658   0.012   8.239
  569   2HG2  THR  70          2HG2      THR  70 -13.811   0.125   9.992
  570   3HG2  THR  70          3HG2      THR  70 -14.945  -0.862   9.072
  571    H    SER  71           H        SER  71 -10.689   1.077   9.577
  572    HA   SER  71           HA       SER  71 -10.519   1.115  12.476
  573   1HB   SER  71          2HB       SER  71  -9.421   3.361  12.046
  574   2HB   SER  71          1HB       SER  71  -8.582   1.954  11.393
  575    HG   SER  71           HG       SER  71  -8.652   3.481   9.782
  576    H    LEU  72           H        LEU  72 -11.257   3.944  10.523
  577    HA   LEU  72           HA       LEU  72 -13.802   4.194  11.992
  578   1HB   LEU  72          2HB       LEU  72 -13.492   6.576  12.161
  579   2HB   LEU  72          1HB       LEU  72 -12.111   5.758  12.862
  580    HG   LEU  72           HG       LEU  72 -12.018   6.808  10.042
  581   1HD1  LEU  72          1HD1      LEU  72 -11.401   8.313  12.578
  582   2HD1  LEU  72          2HD1      LEU  72 -12.671   8.684  11.412
  583   3HD1  LEU  72          3HD1      LEU  72 -10.977   8.843  10.950
  584   1HD2  LEU  72          1HD2      LEU  72 -10.263   5.260  10.750
  585   2HD2  LEU  72          2HD2      LEU  72  -9.892   6.308  12.121
  586   3HD2  LEU  72          3HD2      LEU  72  -9.624   6.881  10.474
  587    H    THR  73           H        THR  73 -12.396   3.939   8.972
  588    HA   THR  73           HA       THR  73 -14.068   5.732   7.512
  589    HB   THR  73           HB       THR  73 -13.286   3.870   5.668
  590    HG1  THR  73           HG1      THR  73 -10.935   4.035   7.120
  591   1HG2  THR  73          1HG2      THR  73 -11.393   5.421   5.216
  592   2HG2  THR  73          2HG2      THR  73 -11.731   6.223   6.744
  593   3HG2  THR  73          3HG2      THR  73 -12.927   6.257   5.448
  594    H    ASN  74           H        ASN  74 -14.255   2.353   8.413
  595    HA   ASN  74           HA       ASN  74 -15.969   0.876   8.496
  596   1HB   ASN  74          2HB       ASN  74 -17.632   3.297   7.807
  597   2HB   ASN  74          1HB       ASN  74 -18.326   1.701   8.068
  598   1HD2  ASN  74          1HD2      ASN  74 -16.876   4.472   9.538
  599   2HD2  ASN  74          2HD2      ASN  74 -17.155   4.005  11.181
  600    H    LEU  75           H        LEU  75 -15.272   2.611   5.659
  601    HA   LEU  75           HA       LEU  75 -15.214   2.065   3.472
  602   1HB   LEU  75          2HB       LEU  75 -15.994  -0.632   4.538
  603   2HB   LEU  75          1HB       LEU  75 -15.941  -0.327   2.814
  604    HG   LEU  75           HG       LEU  75 -13.531   0.343   3.086
  605   1HD1  LEU  75          1HD1      LEU  75 -13.879  -0.845   5.834
  606   2HD1  LEU  75          2HD1      LEU  75 -13.570   0.853   5.476
  607   3HD1  LEU  75          3HD1      LEU  75 -12.352  -0.364   5.095
  608   1HD2  LEU  75          1HD2      LEU  75 -12.719  -1.958   3.250
  609   2HD2  LEU  75          2HD2      LEU  75 -14.166  -1.845   2.246
  610   3HD2  LEU  75          3HD2      LEU  75 -14.283  -2.461   3.896
  611    H    TYR  76           H        TYR  76 -16.593   1.894   1.638
  612    HA   TYR  76           HA       TYR  76 -18.350   2.775   0.551
  613   1HB   TYR  76          2HB       TYR  76 -20.469   1.527   0.724
  614   2HB   TYR  76          1HB       TYR  76 -19.056   0.503   0.523
  615    HD1  TYR  76           HD2      TYR  76 -21.590   1.664   2.933
  616    HD2  TYR  76           HD1      TYR  76 -18.479  -1.116   2.134
  617    HE1  TYR  76           HE2      TYR  76 -22.262   0.364   4.891
  618    HE2  TYR  76           HE1      TYR  76 -19.141  -2.429   4.086
  619    HH   TYR  76           HH       TYR  76 -20.343  -2.095   6.232
  620    H    GLU  77           H        GLU  77 -17.738   4.065   3.146
  621    HA   GLU  77           HA       GLU  77 -20.333   5.285   3.741
  622   1HB   GLU  77          2HB       GLU  77 -17.791   4.940   5.254
  623   2HB   GLU  77          1HB       GLU  77 -18.750   6.373   5.590
  624   1HG   GLU  77          2HG       GLU  77 -19.980   3.644   5.633
  625   2HG   GLU  77          1HG       GLU  77 -19.117   4.287   7.029
  626    HA   PRO  78           HA       PRO  78 -18.914   8.837   1.419
  627   1HB   PRO  78          2HB       PRO  78 -21.027  10.447   1.948
  628   2HB   PRO  78          1HB       PRO  78 -21.105   9.126   0.776
  629   1HG   PRO  78          2HG       PRO  78 -22.095   9.223   3.594
  630   2HG   PRO  78          1HG       PRO  78 -22.850   8.498   2.163
  631   1HD   PRO  78          2HD       PRO  78 -21.492   7.058   4.051
  632   2HD   PRO  78          1HD       PRO  78 -21.637   6.559   2.353
  633    H    GLY  79           H        GLY  79 -17.185   9.711   2.462
  634   1HA   GLY  79          2HA       GLY  79 -17.768  11.412   4.800
  635   2HA   GLY  79          1HA       GLY  79 -16.345  10.382   4.734
  636    H    ALA  80           H        ALA  80 -16.172  13.100   5.184
  637    HA   ALA  80           HA       ALA  80 -15.194  14.213   2.648
  638   1HB   ALA  80          1HB       ALA  80 -15.617  15.587   5.302
  639   2HB   ALA  80          2HB       ALA  80 -16.748  15.605   3.948
  640   3HB   ALA  80          3HB       ALA  80 -15.165  16.363   3.783
  641    H    VAL  81           H        VAL  81 -14.233  13.422   5.943
  642    HA   VAL  81           HA       VAL  81 -11.456  13.202   5.013
  643    HB   VAL  81           HB       VAL  81 -12.167  14.411   7.691
  644   1HG1  VAL  81          1HG1      VAL  81  -9.524  14.045   6.277
  645   2HG1  VAL  81          2HG1      VAL  81 -10.085  13.162   7.697
  646   3HG1  VAL  81          3HG1      VAL  81  -9.756  14.891   7.809
  647   1HG2  VAL  81          1HG2      VAL  81 -12.708  15.961   5.917
  648   2HG2  VAL  81          2HG2      VAL  81 -11.101  15.752   5.229
  649   3HG2  VAL  81          3HG2      VAL  81 -11.291  16.505   6.813
  650    H    SER  82           H        SER  82 -10.952  11.128   5.315
  651    HA   SER  82           HA       SER  82 -11.554   9.973   7.893
  652   1HB   SER  82          2HB       SER  82 -12.506   8.773   5.286
  653   2HB   SER  82          1HB       SER  82 -12.505   7.900   6.815
  654    HG   SER  82           HG       SER  82 -13.682  10.326   7.073
  655    H    GLU  83           H        GLU  83 -10.554   7.637   7.977
  656    HA   GLU  83           HA       GLU  83  -8.013   7.651   6.485
  657   1HB   GLU  83          2HB       GLU  83  -8.618   7.054   9.349
  658   2HB   GLU  83          1HB       GLU  83  -7.303   6.191   8.571
  659   1HG   GLU  83          2HG       GLU  83  -6.407   8.062   9.730
  660   2HG   GLU  83          1HG       GLU  83  -6.274   8.363   8.002
  661    H    PHE  84           H        PHE  84  -8.127   6.106   4.950
  662    HA   PHE  84           HA       PHE  84  -9.637   3.674   5.386
  663   1HB   PHE  84          2HB       PHE  84  -8.461   5.003   3.095
  664   2HB   PHE  84          1HB       PHE  84  -8.029   3.297   3.117
  665    HD1  PHE  84           HD2      PHE  84 -10.984   5.495   3.543
  666    HD2  PHE  84           HD1      PHE  84  -9.493   1.781   2.138
  667    HE1  PHE  84           HE2      PHE  84 -13.202   4.973   2.648
  668    HE2  PHE  84           HE1      PHE  84 -11.716   1.236   1.224
  669    HZ   PHE  84           HZ       PHE  84 -13.578   2.836   1.470
  670    H    TYR  85           H        TYR  85  -8.884   2.115   6.556
  671    HA   TYR  85           HA       TYR  85  -6.006   1.799   6.949
  672   1HB   TYR  85          2HB       TYR  85  -7.722   1.959   8.865
  673   2HB   TYR  85          1HB       TYR  85  -8.221   0.342   8.396
  674    HD1  TYR  85           HD1      TYR  85  -5.136  -0.337   7.698
  675    HD2  TYR  85           HD2      TYR  85  -7.245   1.112  11.093
  676    HE1  TYR  85           HE1      TYR  85  -3.411  -1.286   9.168
  677    HE2  TYR  85           HE2      TYR  85  -5.528   0.175  12.572
  678    HH   TYR  85           HH       TYR  85  -2.521  -0.948  11.426
  679    H    ILE  86           H        ILE  86  -5.336   0.692   5.132
  680    HA   ILE  86           HA       ILE  86  -6.687  -1.877   4.605
  681    HB   ILE  86           HB       ILE  86  -4.964  -0.362   2.640
  682   1HG1  ILE  86          2HG1      ILE  86  -7.986  -0.404   2.854
  683   2HG1  ILE  86          1HG1      ILE  86  -6.966   0.964   3.284
  684   1HG2  ILE  86          1HG2      ILE  86  -6.021  -1.833   1.005
  685   2HG2  ILE  86          2HG2      ILE  86  -6.966  -2.593   2.285
  686   3HG2  ILE  86          3HG2      ILE  86  -5.210  -2.774   2.258
  687   1HD1  ILE  86          1HD1      ILE  86  -8.001   1.248   1.105
  688   2HD1  ILE  86          2HD1      ILE  86  -7.232  -0.235   0.537
  689   3HD1  ILE  86          3HD1      ILE  86  -6.245   1.161   0.975
  690    H    GLU  87           H        GLU  87  -5.589  -3.371   5.674
  691    HA   GLU  87           HA       GLU  87  -2.668  -3.218   5.810
  692   1HB   GLU  87          2HB       GLU  87  -3.884  -3.334   7.937
  693   2HB   GLU  87          1HB       GLU  87  -4.644  -4.835   7.432
  694   1HG   GLU  87          2HG       GLU  87  -2.482  -5.940   7.413
  695   2HG   GLU  87          1HG       GLU  87  -1.696  -4.429   7.871
  696    H    ILE  88           H        ILE  88  -1.579  -4.401   4.406
  697    HA   ILE  88           HA       ILE  88  -2.823  -6.847   3.302
  698    HB   ILE  88           HB       ILE  88  -0.528  -5.255   2.135
  699   1HG1  ILE  88          2HG1      ILE  88  -3.426  -5.225   1.264
  700   2HG1  ILE  88          1HG1      ILE  88  -2.671  -3.964   2.233
  701   1HG2  ILE  88          1HG2      ILE  88  -1.057  -6.526   0.084
  702   2HG2  ILE  88          2HG2      ILE  88  -2.261  -7.444   0.990
  703   3HG2  ILE  88          3HG2      ILE  88  -0.554  -7.565   1.416
  704   1HD1  ILE  88          1HD1      ILE  88  -1.840  -4.768  -0.542
  705   2HD1  ILE  88          2HD1      ILE  88  -1.126  -3.480   0.430
  706   3HD1  ILE  88          3HD1      ILE  88  -2.799  -3.350  -0.116
  707    H    THR  89           H        THR  89  -1.994  -8.705   3.943
  708    HA   THR  89           HA       THR  89   0.658  -8.787   5.163
  709    HB   THR  89           HB       THR  89  -0.172 -11.260   5.567
  710    HG1  THR  89           HG1      THR  89  -2.265 -11.587   5.251
  711   1HG2  THR  89          1HG2      THR  89  -1.320  -8.883   7.036
  712   2HG2  THR  89          2HG2      THR  89   0.248  -9.633   7.338
  713   3HG2  THR  89          3HG2      THR  89  -1.236 -10.530   7.662
  714    H    GLU  90           H        GLU  90   2.366  -9.648   4.140
  715    HA   GLU  90           HA       GLU  90   2.344 -10.231   1.416
  716   1HB   GLU  90          2HB       GLU  90   4.379  -9.571   2.561
  717   2HB   GLU  90          1HB       GLU  90   4.347 -11.036   3.531
  718   1HG   GLU  90          2HG       GLU  90   4.718 -12.385   1.549
  719   2HG   GLU  90          1HG       GLU  90   4.695 -10.939   0.542
  720    H    ILE  91           H        ILE  91   2.148 -12.044   0.218
  721    HA   ILE  91           HA       ILE  91   1.071 -14.391   1.490
  722    HB   ILE  91           HB       ILE  91   1.370 -15.143  -1.119
  723   1HG1  ILE  91          2HG1      ILE  91   0.421 -13.151  -2.400
  724   2HG1  ILE  91          1HG1      ILE  91   0.952 -12.150  -1.057
  725   1HG2  ILE  91          1HG2      ILE  91  -0.913 -13.626   0.112
  726   2HG2  ILE  91          2HG2      ILE  91  -0.613 -15.358   0.250
  727   3HG2  ILE  91          3HG2      ILE  91  -1.010 -14.652  -1.319
  728   1HD1  ILE  91          1HD1      ILE  91   2.712 -13.844  -2.815
  729   2HD1  ILE  91          2HD1      ILE  91   3.261 -12.885  -1.442
  730   3HD1  ILE  91          3HD1      ILE  91   2.563 -12.088  -2.852
  731    H    ASP  92           H        ASP  92   1.903 -16.578   0.898
  732    HA   ASP  92           HA       ASP  92   4.720 -16.459   1.631
  733   1HB   ASP  92          2HB       ASP  92   2.658 -18.623   2.025
  734   2HB   ASP  92          1HB       ASP  92   4.345 -18.764   2.510
  735    H    LYS  93           H        LYS  93   5.648 -18.905   1.197
  736    HA   LYS  93           HA       LYS  93   5.964 -18.950  -1.694
  737   1HB   LYS  93          2HB       LYS  93   7.792 -19.143   0.229
  738   2HB   LYS  93          1HB       LYS  93   7.377 -20.846   0.130
  739   1HG   LYS  93          2HG       LYS  93   9.228 -20.598  -1.269
  740   2HG   LYS  93          1HG       LYS  93   7.846 -20.648  -2.365
  741   1HD   LYS  93          2HD       LYS  93   7.870 -18.237  -2.568
  742   2HD   LYS  93          1HD       LYS  93   9.160 -18.120  -1.373
  743   1HE   LYS  93          2HE       LYS  93  10.155 -17.877  -3.522
  744   2HE   LYS  93          1HE       LYS  93  10.596 -19.470  -2.913
  745   1HZ   LYS  93          1HZ       LYS  93   8.922 -20.468  -4.307
  746   2HZ   LYS  93          2HZ       LYS  93   9.930 -19.489  -5.261
  747   3HZ   LYS  93          3HZ       LYS  93   8.390 -18.942  -4.826
  748    H    ASN  94           H        ASN  94   3.686 -20.042   0.058
  749    HA   ASN  94           HA       ASN  94   3.668 -22.863  -0.200
  750   1HB   ASN  94          2HB       ASN  94   1.406 -22.747   0.609
  751   2HB   ASN  94          1HB       ASN  94   2.357 -21.560   1.487
  752   1HD2  ASN  94          1HD2      ASN  94  -0.289 -22.102  -0.608
  753   2HD2  ASN  94          2HD2      ASN  94  -0.810 -20.452  -0.748
  754    H    ALA  95           H        ALA  95   2.611 -20.246  -2.240
  755    HA   ALA  95           HA       ALA  95   1.154 -21.913  -4.070
  756   1HB   ALA  95          1HB       ALA  95   1.085 -19.932  -5.503
  757   2HB   ALA  95          2HB       ALA  95   2.235 -19.118  -4.442
  758   3HB   ALA  95          3HB       ALA  95   0.630 -19.533  -3.845
  759    H    ASP  96           H        ASP  96   4.042 -19.934  -4.650
  760    HA   ASP  96           HA       ASP  96   5.969 -20.279  -5.784
  761   1HB   ASP  96          2HB       ASP  96   5.870 -22.333  -4.143
  762   2HB   ASP  96          1HB       ASP  96   5.626 -23.250  -5.619
  763    H    SER  97           H        SER  97   6.836 -22.053  -7.610
  764    HA   SER  97           HA       SER  97   4.750 -22.348  -9.623
  765   1HB   SER  97          2HB       SER  97   6.583 -21.406 -11.241
  766   2HB   SER  97          1HB       SER  97   5.548 -20.289 -10.356
  767    HG   SER  97           HG       SER  97   7.200 -19.933  -8.907
  768    H    LEU  98           H        LEU  98   6.470 -24.040  -7.869
  769    HA   LEU  98           HA       LEU  98   8.400 -25.382  -9.447
  770   1HB   LEU  98          2HB       LEU  98   8.292 -25.389  -6.952
  771   2HB   LEU  98          1HB       LEU  98   6.874 -26.415  -7.049
  772    HG   LEU  98           HG       LEU  98   8.247 -28.158  -8.156
  773   1HD1  LEU  98          1HD1      LEU  98   9.944 -26.731  -9.151
  774   2HD1  LEU  98          2HD1      LEU  98  10.686 -27.947  -8.110
  775   3HD1  LEU  98          3HD1      LEU  98  10.529 -26.284  -7.548
  776   1HD2  LEU  98          1HD2      LEU  98   9.497 -28.809  -6.151
  777   2HD2  LEU  98          2HD2      LEU  98   7.878 -28.237  -5.755
  778   3HD2  LEU  98          3HD2      LEU  98   9.273 -27.190  -5.491
  779    H    GLU  99           H        GLU  99   8.251 -27.284 -10.620
  780    HA   GLU  99           HA       GLU  99   5.858 -27.629 -12.052
  781   1HB   GLU  99          2HB       GLU  99   8.107 -28.085 -12.968
  782   2HB   GLU  99          1HB       GLU  99   8.239 -29.483 -11.910
  783   1HG   GLU  99          2HG       GLU  99   7.647 -30.121 -14.183
  784   2HG   GLU  99          1HG       GLU  99   6.377 -30.545 -13.036
  785    H    HIS 100           H        HIS 100   4.274 -29.137 -12.016
  786    HA   HIS 100           HA       HIS 100   4.372 -31.524 -10.485
  787   1HB   HIS 100          2HB       HIS 100   2.548 -30.998  -8.876
  788   2HB   HIS 100          1HB       HIS 100   4.023 -30.096  -8.565
  789    HD1  HIS 100           HD1      HIS 100   3.951 -27.508  -9.071
  790    HD2  HIS 100           HD2      HIS 100   0.294 -29.473  -9.391
  791    HE1  HIS 100           HE1      HIS 100   2.202 -25.702  -9.039
  792    HE2  HIS 100           HE2      HIS 100  -0.004 -26.909  -9.154
  793    H    HIS 101           H        HIS 101   3.264 -32.917 -11.657
  794    HA   HIS 101           HA       HIS 101   0.910 -31.954 -13.167
  795   1HB   HIS 101          2HB       HIS 101   3.058 -33.881 -14.069
  796   2HB   HIS 101          1HB       HIS 101   1.537 -33.653 -14.915
  797    HD1  HIS 101           HD1      HIS 101   4.466 -33.084 -16.022
  798    HD2  HIS 101           HD2      HIS 101   1.721 -30.260 -14.692
  799    HE1  HIS 101           HE1      HIS 101   5.090 -30.939 -17.177
  800    HE2  HIS 101           HE2      HIS 101   3.584 -29.209 -16.139
  801    H    HIS 102           H        HIS 102  -0.068 -34.185 -14.185
  802    HA   HIS 102           HA       HIS 102  -1.136 -36.153 -13.898
  803   1HB   HIS 102          2HB       HIS 102   0.840 -36.526 -11.647
  804   2HB   HIS 102          1HB       HIS 102  -0.323 -37.752 -12.129
  805    HD1  HIS 102           HD1      HIS 102   0.235 -39.164 -14.133
  806    HD2  HIS 102           HD2      HIS 102   2.891 -36.020 -13.565
  807    HE1  HIS 102           HE1      HIS 102   2.152 -39.602 -15.706
  808    HE2  HIS 102           HE2      HIS 102   3.842 -37.812 -15.162
  809    H    HIS 103           H        HIS 103  -0.499 -35.830 -10.467
  810    HA   HIS 103           HA       HIS 103  -3.347 -35.296 -10.001
  811   1HB   HIS 103          2HB       HIS 103  -2.895 -37.771 -10.008
  812   2HB   HIS 103          1HB       HIS 103  -1.779 -37.525  -8.673
  813    HD1  HIS 103           HD1      HIS 103  -2.781 -37.326  -6.327
  814    HD2  HIS 103           HD2      HIS 103  -5.634 -37.464  -9.352
  815    HE1  HIS 103           HE1      HIS 103  -4.980 -37.665  -5.170
  816    HE2  HIS 103           HE2      HIS 103  -6.646 -37.981  -7.029
  817    H    HIS 104           H        HIS 104  -3.738 -34.109  -8.147
  818    HA   HIS 104           HA       HIS 104  -1.444 -32.886  -6.897
  819   1HB   HIS 104          2HB       HIS 104  -4.395 -32.625  -6.256
  820   2HB   HIS 104          1HB       HIS 104  -3.115 -31.647  -5.549
  821    HD1  HIS 104           HD1      HIS 104  -5.613 -30.782  -7.478
  822    HD2  HIS 104           HD2      HIS 104  -1.561 -30.952  -8.411
  823    HE1  HIS 104           HE1      HIS 104  -5.296 -29.225  -9.430
  824    HE2  HIS 104           HE2      HIS 104  -2.809 -29.183  -9.831
  825    H    HIS 105           H        HIS 105  -0.317 -34.011  -5.510
  826    HA   HIS 105           HA       HIS 105   0.319 -35.436  -3.867
  827   1HB   HIS 105          2HB       HIS 105  -2.551 -35.411  -2.905
  828   2HB   HIS 105          1HB       HIS 105  -1.135 -35.916  -1.991
  829    HD1  HIS 105           HD1      HIS 105  -3.335 -33.451  -1.626
  830    HD2  HIS 105           HD2      HIS 105   0.742 -33.270  -2.426
  831    HE1  HIS 105           HE1      HIS 105  -2.597 -31.162  -0.877
  832    HE2  HIS 105           HE2      HIS 105  -0.182 -31.001  -1.578
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1   9.339   3.110   7.042
    2   2H    MET   1          2H        MET   1   9.616   3.294   5.382
    3   3H    MET   1          3H        MET   1   8.451   2.183   5.932
    4    HA   MET   1           HA       MET   1   7.098   3.955   6.782
    5   1HB   MET   1          2HB       MET   1   8.930   5.505   7.328
    6   2HB   MET   1          1HB       MET   1   9.222   5.762   5.612
    7   1HG   MET   1          2HG       MET   1   6.992   6.729   5.375
    8   2HG   MET   1          1HG       MET   1   6.696   6.473   7.094
    9   1HE   MET   1          1HE       MET   1   6.283   9.299   5.706
   10   2HE   MET   1          2HE       MET   1   7.023  10.357   6.913
   11   3HE   MET   1          3HE       MET   1   6.028   8.992   7.422
   12    H    VAL   2           H        VAL   2   8.993   4.393   3.808
   13    HA   VAL   2           HA       VAL   2   8.437   4.222   1.614
   14    HB   VAL   2           HB       VAL   2   5.756   3.220   2.593
   15   1HG1  VAL   2          1HG1      VAL   2   5.437   2.402   0.310
   16   2HG1  VAL   2          2HG1      VAL   2   6.931   3.198  -0.183
   17   3HG1  VAL   2          3HG1      VAL   2   5.557   4.159   0.366
   18   1HG2  VAL   2          1HG2      VAL   2   8.151   1.738   1.521
   19   2HG2  VAL   2          2HG2      VAL   2   6.603   1.020   1.966
   20   3HG2  VAL   2          3HG2      VAL   2   7.614   1.771   3.202
   21    H    LYS   3           H        LYS   3   8.192   5.949   0.409
   22    HA   LYS   3           HA       LYS   3   5.853   7.676   0.866
   23   1HB   LYS   3          2HB       LYS   3   7.805   8.962   1.416
   24   2HB   LYS   3          1HB       LYS   3   8.641   8.423  -0.035
   25   1HG   LYS   3          2HG       LYS   3   7.875  10.715  -0.272
   26   2HG   LYS   3          1HG       LYS   3   7.057   9.654  -1.419
   27   1HD   LYS   3          2HD       LYS   3   5.177   9.519   0.294
   28   2HD   LYS   3          1HD       LYS   3   5.966  10.874   1.106
   29   1HE   LYS   3          2HE       LYS   3   4.938  10.820  -1.731
   30   2HE   LYS   3          1HE       LYS   3   4.215  11.679  -0.374
   31   1HZ   LYS   3          1HZ       LYS   3   5.533  13.116  -1.839
   32   2HZ   LYS   3          2HZ       LYS   3   6.922  12.222  -1.470
   33   3HZ   LYS   3          3HZ       LYS   3   6.131  13.102  -0.253
   34    H    THR   4           H        THR   4   8.244   6.877  -1.667
   35    HA   THR   4           HA       THR   4   6.322   7.358  -3.747
   36    HB   THR   4           HB       THR   4   8.952   5.928  -4.093
   37    HG1  THR   4           HG1      THR   4   9.347   7.855  -2.891
   38   1HG2  THR   4          1HG2      THR   4   7.515   6.019  -6.047
   39   2HG2  THR   4          2HG2      THR   4   8.908   7.080  -6.275
   40   3HG2  THR   4          3HG2      THR   4   7.336   7.764  -5.862
   41    H    LEU   5           H        LEU   5   4.623   5.917  -3.493
   42    HA   LEU   5           HA       LEU   5   5.274   3.057  -3.807
   43   1HB   LEU   5          2HB       LEU   5   4.243   3.583  -1.632
   44   2HB   LEU   5          1HB       LEU   5   2.880   4.314  -2.457
   45    HG   LEU   5           HG       LEU   5   2.358   2.090  -3.456
   46   1HD1  LEU   5          1HD1      LEU   5   4.575   1.099  -3.320
   47   2HD1  LEU   5          2HD1      LEU   5   3.390   0.098  -2.480
   48   3HD1  LEU   5          3HD1      LEU   5   4.494   1.121  -1.558
   49   1HD2  LEU   5          1HD2      LEU   5   1.171   2.877  -1.493
   50   2HD2  LEU   5          2HD2      LEU   5   2.428   2.222  -0.444
   51   3HD2  LEU   5          3HD2      LEU   5   1.424   1.134  -1.403
   52    H    ARG   6           H        ARG   6   4.163   1.900  -5.349
   53    HA   ARG   6           HA       ARG   6   1.973   3.181  -6.771
   54   1HB   ARG   6          2HB       ARG   6   4.040   3.820  -7.992
   55   2HB   ARG   6          1HB       ARG   6   4.419   2.117  -8.204
   56   1HG   ARG   6          2HG       ARG   6   2.453   1.805  -9.561
   57   2HG   ARG   6          1HG       ARG   6   1.953   3.470  -9.269
   58   1HD   ARG   6          2HD       ARG   6   2.969   3.304 -11.448
   59   2HD   ARG   6          1HD       ARG   6   4.006   4.252 -10.385
   60    HE   ARG   6           HE       ARG   6   5.113   1.859 -10.115
   61   1HH1  ARG   6          1HH1      ARG   6   4.011   3.521 -13.002
   62   2HH1  ARG   6          2HH1      ARG   6   5.161   2.726 -14.045
   63   1HH2  ARG   6          1HH2      ARG   6   6.620   0.819 -11.484
   64   2HH2  ARG   6          2HH2      ARG   6   6.648   1.210 -13.180
   65    H    LEU   7           H        LEU   7   0.439   1.710  -6.432
   66    HA   LEU   7           HA       LEU   7   1.094  -1.131  -6.372
   67   1HB   LEU   7          2HB       LEU   7  -1.517   0.306  -5.867
   68   2HB   LEU   7          1HB       LEU   7  -1.258  -1.416  -5.661
   69    HG   LEU   7           HG       LEU   7   0.032   0.796  -4.057
   70   1HD1  LEU   7          1HD1      LEU   7  -1.230  -0.190  -2.201
   71   2HD1  LEU   7          2HD1      LEU   7  -1.979  -1.326  -3.322
   72   3HD1  LEU   7          3HD1      LEU   7  -2.293   0.402  -3.477
   73   1HD2  LEU   7          1HD2      LEU   7   0.355  -2.195  -3.819
   74   2HD2  LEU   7          2HD2      LEU   7   1.050  -0.982  -2.744
   75   3HD2  LEU   7          3HD2      LEU   7   1.576  -1.076  -4.424
   76    H    ASN   8           H        ASN   8   1.320  -1.965  -8.331
   77    HA   ASN   8           HA       ASN   8   0.913  -2.611 -10.465
   78   1HB   ASN   8          2HB       ASN   8  -0.979  -3.706  -9.262
   79   2HB   ASN   8          1HB       ASN   8  -1.987  -2.322  -9.658
   80   1HD2  ASN   8          1HD2      ASN   8   0.409  -3.662 -11.843
   81   2HD2  ASN   8          2HD2      ASN   8  -0.729  -4.277 -12.998
   82    H    ASN   9           H        ASN   9   1.775  -0.309 -10.833
   83    HA   ASN   9           HA       ASN   9   1.894   1.332 -12.398
   84   1HB   ASN   9          2HB       ASN   9   0.805  -0.194 -13.959
   85   2HB   ASN   9          1HB       ASN   9  -0.775   0.263 -13.340
   86   1HD2  ASN   9          1HD2      ASN   9  -1.732   2.101 -14.063
   87   2HD2  ASN   9          2HD2      ASN   9  -1.078   3.088 -15.325
   88    H    VAL  10           H        VAL  10  -0.562   1.169 -10.084
   89    HA   VAL  10           HA       VAL  10  -1.546   3.865 -10.628
   90    HB   VAL  10           HB       VAL  10  -2.414   1.879  -8.519
   91   1HG1  VAL  10          1HG1      VAL  10  -2.835   4.161  -7.806
   92   2HG1  VAL  10          2HG1      VAL  10  -4.353   3.368  -8.230
   93   3HG1  VAL  10          3HG1      VAL  10  -3.617   4.520  -9.345
   94   1HG2  VAL  10          1HG2      VAL  10  -4.418   1.643  -9.945
   95   2HG2  VAL  10          2HG2      VAL  10  -2.939   1.095 -10.734
   96   3HG2  VAL  10          3HG2      VAL  10  -3.637   2.659 -11.157
   97    H    THR  11           H        THR  11  -0.432   5.478  -9.841
   98    HA   THR  11           HA       THR  11   1.520   5.211  -7.810
   99    HB   THR  11           HB       THR  11   1.709   7.677  -8.003
  100    HG1  THR  11           HG1      THR  11  -0.700   7.805  -8.477
  101   1HG2  THR  11          1HG2      THR  11   2.275   7.738 -10.420
  102   2HG2  THR  11          2HG2      THR  11   1.464   6.182 -10.619
  103   3HG2  THR  11          3HG2      THR  11   2.904   6.304  -9.607
  104    H    LEU  12           H        LEU  12   1.323   5.435  -5.629
  105    HA   LEU  12           HA       LEU  12  -1.234   6.485  -4.618
  106   1HB   LEU  12          2HB       LEU  12  -1.243   3.992  -4.720
  107   2HB   LEU  12          1HB       LEU  12   0.118   3.981  -3.614
  108    HG   LEU  12           HG       LEU  12  -1.313   5.139  -1.930
  109   1HD1  LEU  12          1HD1      LEU  12  -2.899   6.155  -3.484
  110   2HD1  LEU  12          2HD1      LEU  12  -3.726   5.169  -2.281
  111   3HD1  LEU  12          3HD1      LEU  12  -3.504   4.558  -3.920
  112   1HD2  LEU  12          1HD2      LEU  12  -2.581   3.153  -1.328
  113   2HD2  LEU  12          2HD2      LEU  12  -0.973   2.713  -1.904
  114   3HD2  LEU  12          3HD2      LEU  12  -2.372   2.510  -2.956
  115    H    GLU  13           H        GLU  13  -1.176   7.485  -2.655
  116    HA   GLU  13           HA       GLU  13   1.426   7.722  -1.318
  117   1HB   GLU  13          2HB       GLU  13  -0.548   9.922  -1.950
  118   2HB   GLU  13          1HB       GLU  13   0.736  10.101  -0.761
  119   1HG   GLU  13          2HG       GLU  13   2.420   9.812  -2.425
  120   2HG   GLU  13          1HG       GLU  13   1.220   9.375  -3.639
  121    H    MET  14           H        MET  14   1.157   8.463   0.994
  122    HA   MET  14           HA       MET  14  -1.282   7.357   2.172
  123   1HB   MET  14          2HB       MET  14   0.013   5.949   3.697
  124   2HB   MET  14          1HB       MET  14   0.332   5.500   2.023
  125   1HG   MET  14          2HG       MET  14   2.116   7.191   3.766
  126   2HG   MET  14          1HG       MET  14   2.342   5.481   3.411
  127   1HE   MET  14          1HE       MET  14   2.959   4.538   1.002
  128   2HE   MET  14          2HE       MET  14   3.091   5.553  -0.436
  129   3HE   MET  14          3HE       MET  14   1.528   5.342   0.356
  130    H    ALA  15           H        ALA  15  -1.204   7.635   4.586
  131    HA   ALA  15           HA       ALA  15   0.245  10.087   5.323
  132   1HB   ALA  15          1HB       ALA  15  -2.171  10.473   5.122
  133   2HB   ALA  15          2HB       ALA  15  -1.615  10.665   6.787
  134   3HB   ALA  15          3HB       ALA  15  -2.467   9.199   6.305
  135    H    ALA  16           H        ALA  16  -1.389   7.236   6.701
  136    HA   ALA  16           HA       ALA  16   0.905   6.937   8.523
  137   1HB   ALA  16          1HB       ALA  16  -1.173   7.450   9.721
  138   2HB   ALA  16          2HB       ALA  16  -0.570   5.837  10.107
  139   3HB   ALA  16          3HB       ALA  16  -1.930   6.028   9.003
  140    H    TYR  17           H        TYR  17   1.993   5.775   6.883
  141    HA   TYR  17           HA       TYR  17   0.937   3.224   6.005
  142   1HB   TYR  17          2HB       TYR  17   2.431   4.795   4.648
  143   2HB   TYR  17          1HB       TYR  17   3.751   4.270   5.681
  144    HD1  TYR  17           HD1      TYR  17   4.324   1.765   5.687
  145    HD2  TYR  17           HD2      TYR  17   1.838   3.589   2.760
  146    HE1  TYR  17           HE1      TYR  17   4.773  -0.103   4.151
  147    HE2  TYR  17           HE2      TYR  17   2.267   1.727   1.222
  148    HH   TYR  17           HH       TYR  17   3.728  -1.176   2.193
  149    H    GLN  18           H        GLN  18   0.731   1.923   7.843
  150    HA   GLN  18           HA       GLN  18   3.054   1.627   9.594
  151   1HB   GLN  18          2HB       GLN  18   0.646   1.904  10.434
  152   2HB   GLN  18          1HB       GLN  18   0.380   0.255   9.887
  153   1HG   GLN  18          2HG       GLN  18   2.563   0.966  11.820
  154   2HG   GLN  18          1HG       GLN  18   0.919   0.617  12.343
  155   1HE2  GLN  18          1HE2      GLN  18   3.478  -0.768  12.826
  156   2HE2  GLN  18          2HE2      GLN  18   3.209  -2.404  12.333
  157    H    GLU  19           H        GLU  19   4.522   0.135   9.065
  158    HA   GLU  19           HA       GLU  19   3.607  -2.185   7.521
  159   1HB   GLU  19          2HB       GLU  19   5.997  -2.397   6.795
  160   2HB   GLU  19          1HB       GLU  19   5.187  -0.939   6.245
  161   1HG   GLU  19          2HG       GLU  19   6.294   0.357   7.975
  162   2HG   GLU  19          1HG       GLU  19   7.064  -1.100   8.597
  163    H    GLU  20           H        GLU  20   3.480  -4.031   8.551
  164    HA   GLU  20           HA       GLU  20   5.165  -4.555  10.887
  165   1HB   GLU  20          2HB       GLU  20   2.857  -6.088   9.666
  166   2HB   GLU  20          1HB       GLU  20   3.784  -6.659  11.045
  167   1HG   GLU  20          2HG       GLU  20   3.067  -4.739  12.346
  168   2HG   GLU  20          1HG       GLU  20   2.180  -4.115  10.955
  169    H    SER  21           H        SER  21   7.160  -5.185  10.296
  170    HA   SER  21           HA       SER  21   7.423  -6.908   7.921
  171   1HB   SER  21          2HB       SER  21   8.519  -4.598   7.992
  172   2HB   SER  21          1HB       SER  21   9.609  -5.264   9.203
  173    HG   SER  21           HG       SER  21  10.102  -6.918   7.591
  174    H    GLU  22           H        GLU  22   7.158  -7.328  11.089
  175    HA   GLU  22           HA       GLU  22   9.471  -9.037  11.412
  176   1HB   GLU  22          2HB       GLU  22   7.421  -8.132  13.386
  177   2HB   GLU  22          1HB       GLU  22   8.682  -9.295  13.773
  178   1HG   GLU  22          2HG       GLU  22   9.192  -6.526  12.764
  179   2HG   GLU  22          1HG       GLU  22   9.149  -6.971  14.469
  180    HA   PRO  23           HA       PRO  23   6.483 -12.323  12.352
  181   1HB   PRO  23          2HB       PRO  23   3.824 -12.048  12.161
  182   2HB   PRO  23          1HB       PRO  23   4.729 -11.497  13.578
  183   1HG   PRO  23          2HG       PRO  23   3.722  -9.901  11.252
  184   2HG   PRO  23          1HG       PRO  23   3.624  -9.531  12.985
  185   1HD   PRO  23          2HD       PRO  23   5.537  -8.495  11.340
  186   2HD   PRO  23          1HD       PRO  23   5.789  -8.778  13.075
  187    H    LYS  24           H        LYS  24   6.213 -10.288   9.762
  188    HA   LYS  24           HA       LYS  24   6.398 -12.126   7.714
  189   1HB   LYS  24          2HB       LYS  24   3.890 -12.442   8.585
  190   2HB   LYS  24          1HB       LYS  24   3.618 -11.021   7.584
  191   1HG   LYS  24          2HG       LYS  24   4.554 -12.216   5.654
  192   2HG   LYS  24          1HG       LYS  24   4.773 -13.647   6.663
  193   1HD   LYS  24          2HD       LYS  24   2.294 -13.584   7.102
  194   2HD   LYS  24          1HD       LYS  24   2.183 -12.325   5.868
  195   1HE   LYS  24          2HE       LYS  24   3.281 -13.908   4.270
  196   2HE   LYS  24          1HE       LYS  24   3.143 -15.161   5.500
  197   1HZ   LYS  24          1HZ       LYS  24   0.982 -13.798   4.014
  198   2HZ   LYS  24          2HZ       LYS  24   0.669 -14.603   5.465
  199   3HZ   LYS  24          3HZ       LYS  24   1.284 -15.461   4.145
  200    H    ARG  25           H        ARG  25   5.289 -10.749   5.593
  201    HA   ARG  25           HA       ARG  25   6.047  -7.959   6.094
  202   1HB   ARG  25          2HB       ARG  25   5.981  -9.591   3.565
  203   2HB   ARG  25          1HB       ARG  25   6.054  -7.832   3.535
  204   1HG   ARG  25          2HG       ARG  25   8.129  -7.848   4.757
  205   2HG   ARG  25          1HG       ARG  25   8.036  -9.597   4.953
  206   1HD   ARG  25          2HD       ARG  25   8.143  -8.253   2.270
  207   2HD   ARG  25          1HD       ARG  25   9.585  -8.752   3.151
  208    HE   ARG  25           HE       ARG  25   7.649 -10.863   2.824
  209   1HH1  ARG  25          1HH1      ARG  25  10.376  -9.186   1.387
  210   2HH1  ARG  25          2HH1      ARG  25  10.823 -10.521   0.359
  211   1HH2  ARG  25          1HH2      ARG  25   8.247 -12.637   1.498
  212   2HH2  ARG  25          2HH2      ARG  25   9.616 -12.487   0.427
  213    H    LYS  26           H        LYS  26   4.314  -6.984   6.835
  214    HA   LYS  26           HA       LYS  26   1.798  -7.204   5.314
  215   1HB   LYS  26          2HB       LYS  26   1.548  -8.477   7.345
  216   2HB   LYS  26          1HB       LYS  26   2.222  -7.170   8.304
  217   1HG   LYS  26          2HG       LYS  26   0.272  -5.809   7.890
  218   2HG   LYS  26          1HG       LYS  26  -0.394  -7.044   6.816
  219   1HD   LYS  26          2HD       LYS  26  -0.496  -8.620   8.674
  220   2HD   LYS  26          1HD       LYS  26   0.212  -7.413   9.749
  221   1HE   LYS  26          2HE       LYS  26  -2.404  -7.073   8.290
  222   2HE   LYS  26          1HE       LYS  26  -2.257  -7.642   9.952
  223   1HZ   LYS  26          1HZ       LYS  26  -1.164  -5.537  10.519
  224   2HZ   LYS  26          2HZ       LYS  26  -2.737  -5.294   9.914
  225   3HZ   LYS  26          3HZ       LYS  26  -1.396  -4.989   8.930
  226    H    ILE  27           H        ILE  27   1.480  -5.288   4.372
  227    HA   ILE  27           HA       ILE  27   2.435  -2.881   5.758
  228    HB   ILE  27           HB       ILE  27   2.183  -1.780   3.502
  229   1HG1  ILE  27          2HG1      ILE  27   1.951  -4.646   2.556
  230   2HG1  ILE  27          1HG1      ILE  27   0.633  -3.483   2.551
  231   1HG2  ILE  27          1HG2      ILE  27   4.267  -2.768   2.624
  232   2HG2  ILE  27          2HG2      ILE  27   4.097  -4.095   3.774
  233   3HG2  ILE  27          3HG2      ILE  27   4.345  -2.452   4.358
  234   1HD1  ILE  27          1HD1      ILE  27   1.638  -3.745   0.345
  235   2HD1  ILE  27          2HD1      ILE  27   3.192  -3.217   0.998
  236   3HD1  ILE  27          3HD1      ILE  27   1.827  -2.101   0.962
  237    H    ALA  28           H        ALA  28   0.928  -1.949   6.931
  238    HA   ALA  28           HA       ALA  28  -1.844  -1.897   5.937
  239   1HB   ALA  28          1HB       ALA  28  -0.800  -1.535   8.745
  240   2HB   ALA  28          2HB       ALA  28  -1.571  -2.987   8.105
  241   3HB   ALA  28          3HB       ALA  28  -2.498  -1.494   8.264
  242    H    PHE  29           H        PHE  29  -1.792  -0.075   4.638
  243    HA   PHE  29           HA       PHE  29  -0.791   2.364   5.903
  244   1HB   PHE  29          2HB       PHE  29  -1.046   3.387   3.611
  245   2HB   PHE  29          1HB       PHE  29   0.179   2.140   3.771
  246    HD1  PHE  29           HD2      PHE  29  -3.053   3.023   2.282
  247    HD2  PHE  29           HD1      PHE  29  -0.047   0.027   2.647
  248    HE1  PHE  29           HE2      PHE  29  -3.995   1.844   0.340
  249    HE2  PHE  29           HE1      PHE  29  -0.983  -1.153   0.701
  250    HZ   PHE  29           HZ       PHE  29  -2.958  -0.246  -0.454
  251    H    THR  30           H        THR  30  -1.998   3.909   6.576
  252    HA   THR  30           HA       THR  30  -4.891   3.777   6.185
  253    HB   THR  30           HB       THR  30  -3.371   5.628   8.024
  254    HG1  THR  30           HG1      THR  30  -3.386   3.010   8.159
  255   1HG2  THR  30          1HG2      THR  30  -6.180   4.531   8.122
  256   2HG2  THR  30          2HG2      THR  30  -5.734   6.157   7.604
  257   3HG2  THR  30          3HG2      THR  30  -5.463   5.657   9.274
  258    H    LEU  31           H        LEU  31  -5.887   5.161   4.853
  259    HA   LEU  31           HA       LEU  31  -4.268   7.330   3.682
  260   1HB   LEU  31          2HB       LEU  31  -4.628   5.343   2.225
  261   2HB   LEU  31          1HB       LEU  31  -6.354   5.617   2.321
  262    HG   LEU  31           HG       LEU  31  -4.540   7.747   1.235
  263   1HD1  LEU  31          1HD1      LEU  31  -5.714   5.437  -0.306
  264   2HD1  LEU  31          2HD1      LEU  31  -4.001   5.695   0.025
  265   3HD1  LEU  31          3HD1      LEU  31  -4.885   6.830  -0.998
  266   1HD2  LEU  31          1HD2      LEU  31  -6.541   8.372  -0.008
  267   2HD2  LEU  31          2HD2      LEU  31  -6.884   8.312   1.723
  268   3HD2  LEU  31          3HD2      LEU  31  -7.410   6.996   0.672
  269    H    ASN  32           H        ASN  32  -5.160   9.318   3.555
  270    HA   ASN  32           HA       ASN  32  -7.599   9.857   4.954
  271   1HB   ASN  32          2HB       ASN  32  -5.693  11.606   3.398
  272   2HB   ASN  32          1HB       ASN  32  -7.152  12.223   4.148
  273   1HD2  ASN  32          1HD2      ASN  32  -7.039  10.627   6.512
  274   2HD2  ASN  32          2HD2      ASN  32  -5.713  11.227   7.448
  275    H    VAL  33           H        VAL  33  -9.402   9.075   3.870
  276    HA   VAL  33           HA       VAL  33  -9.837   9.809   1.117
  277    HB   VAL  33           HB       VAL  33 -11.699   8.521   3.104
  278   1HG1  VAL  33          1HG1      VAL  33 -13.193   8.109   1.219
  279   2HG1  VAL  33          2HG1      VAL  33 -12.103   8.986   0.146
  280   3HG1  VAL  33          3HG1      VAL  33 -12.949   9.843   1.434
  281   1HG2  VAL  33          1HG2      VAL  33 -10.161   7.461   0.738
  282   2HG2  VAL  33          2HG2      VAL  33 -11.348   6.544   1.661
  283   3HG2  VAL  33          3HG2      VAL  33  -9.865   7.098   2.438
  284    H    THR  34           H        THR  34  -9.884  11.986   0.915
  285    HA   THR  34           HA       THR  34 -11.630  13.519   2.710
  286    HB   THR  34           HB       THR  34 -10.423  15.509   1.812
  287    HG1  THR  34           HG1      THR  34  -8.279  14.545   0.760
  288   1HG2  THR  34          1HG2      THR  34  -9.650  14.482   3.884
  289   2HG2  THR  34          2HG2      THR  34  -8.271  15.053   2.943
  290   3HG2  THR  34          3HG2      THR  34  -8.666  13.335   2.974
  291    H    SER  35           H        SER  35 -12.129  15.723   1.115
  292    HA   SER  35           HA       SER  35 -14.320  14.868  -0.422
  293   1HB   SER  35          2HB       SER  35 -12.878  17.529  -0.492
  294   2HB   SER  35          1HB       SER  35 -14.500  17.220  -1.112
  295    HG   SER  35           HG       SER  35 -15.232  17.467   0.832
  296    H    GLU  36           H        GLU  36 -10.988  15.212  -1.228
  297    HA   GLU  36           HA       GLU  36 -11.536  15.333  -4.094
  298   1HB   GLU  36          2HB       GLU  36  -9.797  16.795  -3.126
  299   2HB   GLU  36          1HB       GLU  36  -8.906  15.372  -2.602
  300   1HG   GLU  36          2HG       GLU  36  -8.493  14.718  -4.864
  301   2HG   GLU  36          1HG       GLU  36  -9.546  15.997  -5.473
  302    H    THR  37           H        THR  37  -9.771  13.263  -1.786
  303    HA   THR  37           HA       THR  37  -9.164  11.308  -3.803
  304    HB   THR  37           HB       THR  37  -8.329   9.989  -1.785
  305    HG1  THR  37           HG1      THR  37  -8.169  11.146   0.157
  306   1HG2  THR  37          1HG2      THR  37  -7.230  12.749  -2.317
  307   2HG2  THR  37          2HG2      THR  37  -6.814  11.267  -3.179
  308   3HG2  THR  37          3HG2      THR  37  -6.362  11.460  -1.486
  309    H    TYR  38           H        TYR  38 -11.960  11.995  -2.327
  310    HA   TYR  38           HA       TYR  38 -12.959   9.585  -1.327
  311   1HB   TYR  38          2HB       TYR  38 -14.038  11.732  -0.933
  312   2HB   TYR  38          1HB       TYR  38 -14.388  11.903  -2.648
  313    HD1  TYR  38           HD1      TYR  38 -15.128   9.781   0.311
  314    HD2  TYR  38           HD2      TYR  38 -16.405  11.108  -3.522
  315    HE1  TYR  38           HE1      TYR  38 -17.300   8.693   0.662
  316    HE2  TYR  38           HE2      TYR  38 -18.584  10.019  -3.181
  317    HH   TYR  38           HH       TYR  38 -19.594   8.857  -0.138
  318    H    HIS  39           H        HIS  39 -12.722  10.763  -4.604
  319    HA   HIS  39           HA       HIS  39 -14.891   9.442  -5.731
  320   1HB   HIS  39          2HB       HIS  39 -12.309  10.279  -7.050
  321   2HB   HIS  39          1HB       HIS  39 -13.783   9.832  -7.901
  322    HD1  HIS  39           HD1      HIS  39 -12.107  12.651  -6.248
  323    HD2  HIS  39           HD2      HIS  39 -15.949  11.704  -7.531
  324    HE1  HIS  39           HE1      HIS  39 -13.366  14.821  -6.274
  325    HE2  HIS  39           HE2      HIS  39 -15.616  14.256  -7.258
  326    H    ASP  40           H        ASP  40 -11.499   8.492  -6.349
  327    HA   ASP  40           HA       ASP  40 -12.420   6.030  -7.510
  328   1HB   ASP  40          2HB       ASP  40  -9.614   7.014  -6.970
  329   2HB   ASP  40          1HB       ASP  40 -10.035   5.620  -7.951
  330    H    ILE  41           H        ILE  41 -10.982   7.002  -4.489
  331    HA   ILE  41           HA       ILE  41 -10.077   4.380  -3.788
  332    HB   ILE  41           HB       ILE  41 -10.396   6.782  -1.985
  333   1HG1  ILE  41          2HG1      ILE  41  -8.067   5.908  -3.715
  334   2HG1  ILE  41          1HG1      ILE  41  -9.057   7.342  -3.952
  335   1HG2  ILE  41          1HG2      ILE  41 -10.067   4.708  -0.762
  336   2HG2  ILE  41          2HG2      ILE  41  -8.612   5.700  -0.674
  337   3HG2  ILE  41          3HG2      ILE  41  -8.671   4.315  -1.764
  338   1HD1  ILE  41          1HD1      ILE  41  -7.177   6.807  -1.673
  339   2HD1  ILE  41          2HD1      ILE  41  -8.242   8.204  -1.794
  340   3HD1  ILE  41          3HD1      ILE  41  -6.963   7.967  -2.984
  341    H    ALA  42           H        ALA  42 -13.072   6.062  -3.506
  342    HA   ALA  42           HA       ALA  42 -14.138   4.368  -1.434
  343   1HB   ALA  42          1HB       ALA  42 -15.530   6.187  -3.397
  344   2HB   ALA  42          2HB       ALA  42 -15.049   6.595  -1.750
  345   3HB   ALA  42          3HB       ALA  42 -16.300   5.384  -2.029
  346    H    VAL  43           H        VAL  43 -13.462   3.989  -4.712
  347    HA   VAL  43           HA       VAL  43 -15.590   2.048  -5.183
  348    HB   VAL  43           HB       VAL  43 -13.410   2.989  -7.059
  349   1HG1  VAL  43          1HG1      VAL  43 -14.858   2.040  -8.821
  350   2HG1  VAL  43          2HG1      VAL  43 -15.913   1.387  -7.568
  351   3HG1  VAL  43          3HG1      VAL  43 -14.251   0.817  -7.705
  352   1HG2  VAL  43          1HG2      VAL  43 -15.155   4.352  -8.110
  353   2HG2  VAL  43          2HG2      VAL  43 -14.889   4.819  -6.430
  354   3HG2  VAL  43          3HG2      VAL  43 -16.295   3.846  -6.862
  355    H    LEU  44           H        LEU  44 -12.094   2.233  -4.785
  356    HA   LEU  44           HA       LEU  44 -11.775  -0.603  -5.283
  357   1HB   LEU  44          2HB       LEU  44  -9.937   1.676  -4.764
  358   2HB   LEU  44          1HB       LEU  44  -9.372   0.067  -4.359
  359    HG   LEU  44           HG       LEU  44  -9.767  -0.651  -6.692
  360   1HD1  LEU  44          1HD1      LEU  44 -10.189   1.044  -8.414
  361   2HD1  LEU  44          2HD1      LEU  44 -10.442   2.253  -7.153
  362   3HD1  LEU  44          3HD1      LEU  44 -11.545   0.879  -7.297
  363   1HD2  LEU  44          1HD2      LEU  44  -7.568   0.146  -6.001
  364   2HD2  LEU  44          2HD2      LEU  44  -8.026   1.795  -6.428
  365   3HD2  LEU  44          3HD2      LEU  44  -7.904   0.560  -7.680
  366    H    LEU  45           H        LEU  45 -11.983  -2.116  -3.804
  367    HA   LEU  45           HA       LEU  45 -11.581  -1.454  -0.989
  368   1HB   LEU  45          2HB       LEU  45 -14.006  -1.219  -1.689
  369   2HB   LEU  45          1HB       LEU  45 -14.002  -2.933  -2.028
  370    HG   LEU  45           HG       LEU  45 -13.266  -2.006   0.720
  371   1HD1  LEU  45          1HD1      LEU  45 -16.082  -2.292  -0.322
  372   2HD1  LEU  45          2HD1      LEU  45 -15.307  -0.774   0.131
  373   3HD1  LEU  45          3HD1      LEU  45 -15.613  -2.007   1.355
  374   1HD2  LEU  45          1HD2      LEU  45 -14.783  -4.395  -0.323
  375   2HD2  LEU  45          2HD2      LEU  45 -14.303  -4.114   1.349
  376   3HD2  LEU  45          3HD2      LEU  45 -13.075  -4.383   0.112
  377    H    TYR  46           H        TYR  46  -9.715  -2.647  -1.059
  378    HA   TYR  46           HA       TYR  46  -8.362  -4.448  -0.743
  379   1HB   TYR  46          2HB       TYR  46 -10.916  -6.028  -0.419
  380   2HB   TYR  46          1HB       TYR  46  -9.306  -6.536   0.067
  381    HD1  TYR  46           HD2      TYR  46  -8.227  -4.290   1.494
  382    HD2  TYR  46           HD1      TYR  46 -12.197  -5.770   1.384
  383    HE1  TYR  46           HE2      TYR  46  -8.613  -3.351   3.737
  384    HE2  TYR  46           HE1      TYR  46 -12.612  -4.838   3.638
  385    HH   TYR  46           HH       TYR  46 -10.463  -2.653   5.148
  386    H    GLU  47           H        GLU  47 -11.147  -5.954  -2.266
  387    HA   GLU  47           HA       GLU  47 -11.428  -7.420  -3.883
  388   1HB   GLU  47          2HB       GLU  47  -8.953  -6.137  -5.036
  389   2HB   GLU  47          1HB       GLU  47  -9.815  -7.426  -5.857
  390   1HG   GLU  47          2HG       GLU  47 -11.867  -5.918  -5.696
  391   2HG   GLU  47          1HG       GLU  47 -10.732  -4.633  -5.274
  392    H    LYS  48           H        LYS  48  -7.886  -7.581  -4.070
  393    HA   LYS  48           HA       LYS  48  -7.657  -9.856  -2.417
  394   1HB   LYS  48          2HB       LYS  48  -7.054 -11.483  -4.294
  395   2HB   LYS  48          1HB       LYS  48  -8.760 -11.160  -4.022
  396   1HG   LYS  48          2HG       LYS  48  -8.729  -9.571  -5.911
  397   2HG   LYS  48          1HG       LYS  48  -7.041  -9.995  -6.208
  398   1HD   LYS  48          2HD       LYS  48  -7.683 -12.314  -6.610
  399   2HD   LYS  48          1HD       LYS  48  -9.369 -11.916  -6.273
  400   1HE   LYS  48          2HE       LYS  48  -9.339 -10.337  -8.171
  401   2HE   LYS  48          1HE       LYS  48  -7.684 -10.827  -8.529
  402   1HZ   LYS  48          1HZ       LYS  48  -8.432 -13.042  -8.993
  403   2HZ   LYS  48          2HZ       LYS  48  -9.360 -11.958  -9.910
  404   3HZ   LYS  48          3HZ       LYS  48 -10.014 -12.667  -8.520
  405    H    THR  49           H        THR  49  -5.953  -9.574  -5.506
  406    HA   THR  49           HA       THR  49  -3.488  -9.429  -3.937
  407    HB   THR  49           HB       THR  49  -2.442 -10.157  -6.146
  408    HG1  THR  49           HG1      THR  49  -4.426  -9.538  -7.344
  409   1HG2  THR  49          1HG2      THR  49  -4.467 -11.971  -4.827
  410   2HG2  THR  49          2HG2      THR  49  -2.808 -11.707  -4.294
  411   3HG2  THR  49          3HG2      THR  49  -3.122 -12.500  -5.839
  412    H    PHE  50           H        PHE  50  -2.481  -7.558  -3.791
  413    HA   PHE  50           HA       PHE  50  -2.595  -5.687  -6.058
  414   1HB   PHE  50          2HB       PHE  50  -1.889  -5.262  -3.154
  415   2HB   PHE  50          1HB       PHE  50  -1.543  -4.070  -4.399
  416    HD1  PHE  50           HD1      PHE  50  -3.489  -3.151  -5.741
  417    HD2  PHE  50           HD2      PHE  50  -3.965  -5.353  -2.132
  418    HE1  PHE  50           HE1      PHE  50  -5.743  -2.201  -5.465
  419    HE2  PHE  50           HE2      PHE  50  -6.215  -4.414  -1.850
  420    HZ   PHE  50           HZ       PHE  50  -7.110  -2.834  -3.517
  421    H    ASN  51           H        ASN  51  -0.889  -5.589  -7.341
  422    HA   ASN  51           HA       ASN  51   1.603  -6.828  -6.633
  423   1HB   ASN  51          2HB       ASN  51   0.720  -6.733  -8.981
  424   2HB   ASN  51          1HB       ASN  51   1.017  -4.998  -8.976
  425   1HD2  ASN  51          1HD2      ASN  51   2.457  -5.200 -10.704
  426   2HD2  ASN  51          2HD2      ASN  51   4.052  -5.834 -10.489
  427    H    VAL  52           H        VAL  52   2.464  -5.838  -4.888
  428    HA   VAL  52           HA       VAL  52   2.524  -2.968  -4.644
  429    HB   VAL  52           HB       VAL  52   3.863  -5.038  -2.890
  430   1HG1  VAL  52          1HG1      VAL  52   3.917  -3.301  -1.203
  431   2HG1  VAL  52          2HG1      VAL  52   3.133  -2.173  -2.309
  432   3HG1  VAL  52          3HG1      VAL  52   4.758  -2.766  -2.659
  433   1HG2  VAL  52          1HG2      VAL  52   1.155  -3.745  -2.616
  434   2HG2  VAL  52          2HG2      VAL  52   1.925  -4.778  -1.412
  435   3HG2  VAL  52          3HG2      VAL  52   1.474  -5.442  -2.984
  436    H    GLU  53           H        GLU  53   3.822  -2.103  -6.158
  437    HA   GLU  53           HA       GLU  53   6.643  -2.913  -6.085
  438   1HB   GLU  53          2HB       GLU  53   5.272  -1.381  -8.299
  439   2HB   GLU  53          1HB       GLU  53   6.892  -2.066  -8.323
  440   1HG   GLU  53          2HG       GLU  53   5.910  -4.321  -8.190
  441   2HG   GLU  53          1HG       GLU  53   4.303  -3.600  -8.264
  442    H    VAL  54           H        VAL  54   7.629  -1.740  -4.739
  443    HA   VAL  54           HA       VAL  54   7.013   1.120  -4.670
  444    HB   VAL  54           HB       VAL  54   6.521   0.063  -2.559
  445   1HG1  VAL  54          1HG1      VAL  54   8.219  -1.045  -1.206
  446   2HG1  VAL  54          2HG1      VAL  54   9.355  -0.924  -2.548
  447   3HG1  VAL  54          3HG1      VAL  54   7.900  -1.907  -2.712
  448   1HG2  VAL  54          1HG2      VAL  54   7.428   2.287  -2.488
  449   2HG2  VAL  54          2HG2      VAL  54   9.064   1.635  -2.429
  450   3HG2  VAL  54          3HG2      VAL  54   7.958   1.362  -1.082
  451    HA   PRO  55           HA       PRO  55  11.131   1.224  -6.574
  452   1HB   PRO  55          2HB       PRO  55  10.932   3.827  -7.356
  453   2HB   PRO  55          1HB       PRO  55  10.246   2.484  -8.277
  454   1HG   PRO  55          2HG       PRO  55   8.897   4.369  -6.382
  455   2HG   PRO  55          1HG       PRO  55   8.331   3.757  -7.949
  456   1HD   PRO  55          2HD       PRO  55   7.457   2.751  -5.594
  457   2HD   PRO  55          1HD       PRO  55   7.624   1.755  -7.052
  458    H    GLU  56           H        GLU  56   9.678   3.032  -4.070
  459    HA   GLU  56           HA       GLU  56  11.706   4.760  -3.263
  460   1HB   GLU  56          2HB       GLU  56   9.353   4.678  -2.392
  461   2HB   GLU  56          1HB       GLU  56   9.795   3.247  -1.472
  462   1HG   GLU  56          2HG       GLU  56   9.848   5.137  -0.021
  463   2HG   GLU  56          1HG       GLU  56  11.506   4.605  -0.297
  464    H    ARG  57           H        ARG  57  11.108   1.376  -2.402
  465    HA   ARG  57           HA       ARG  57  13.740   1.279  -1.085
  466   1HB   ARG  57          2HB       ARG  57  11.373  -0.532  -0.600
  467   2HB   ARG  57          1HB       ARG  57  12.838  -0.410   0.364
  468   1HG   ARG  57          2HG       ARG  57  12.231   1.767   1.139
  469   2HG   ARG  57          1HG       ARG  57  10.863   1.833   0.026
  470   1HD   ARG  57          2HD       ARG  57  10.183   1.310   2.331
  471   2HD   ARG  57          1HD       ARG  57   9.784   0.017   1.197
  472    HE   ARG  57           HE       ARG  57  12.220  -0.692   2.155
  473   1HH1  ARG  57          1HH1      ARG  57   9.157   0.105   3.656
  474   2HH1  ARG  57          2HH1      ARG  57   9.430  -0.883   5.057
  475   1HH2  ARG  57          1HH2      ARG  57  12.588  -1.992   3.993
  476   2HH2  ARG  57          2HH2      ARG  57  11.375  -2.096   5.233
  477    H    ASP  58           H        ASP  58  12.508   0.680  -3.906
  478    HA   ASP  58           HA       ASP  58  12.470  -0.879  -5.543
  479   1HB   ASP  58          2HB       ASP  58  14.894  -0.367  -5.442
  480   2HB   ASP  58          1HB       ASP  58  15.112  -1.735  -4.350
  481    H    LEU  59           H        LEU  59  10.658  -1.876  -4.463
  482    HA   LEU  59           HA       LEU  59  11.248  -4.696  -3.903
  483   1HB   LEU  59          2HB       LEU  59  10.536  -2.995  -1.894
  484   2HB   LEU  59          1HB       LEU  59   8.962  -3.506  -2.455
  485    HG   LEU  59           HG       LEU  59  11.138  -5.364  -1.491
  486   1HD1  LEU  59          1HD1      LEU  59  10.247  -4.022   0.316
  487   2HD1  LEU  59          2HD1      LEU  59   9.659  -5.680   0.448
  488   3HD1  LEU  59          3HD1      LEU  59   8.600  -4.415  -0.174
  489   1HD2  LEU  59          1HD2      LEU  59   8.261  -5.922  -2.207
  490   2HD2  LEU  59          2HD2      LEU  59   9.417  -7.086  -1.558
  491   3HD2  LEU  59          3HD2      LEU  59   9.664  -6.398  -3.164
  492    H    ALA  60           H        ALA  60  10.294  -5.768  -5.503
  493    HA   ALA  60           HA       ALA  60   7.677  -4.806  -6.463
  494   1HB   ALA  60          1HB       ALA  60   9.774  -6.349  -7.992
  495   2HB   ALA  60          2HB       ALA  60   9.389  -4.638  -8.189
  496   3HB   ALA  60          3HB       ALA  60   8.196  -5.867  -8.612
  497    H    PHE  61           H        PHE  61   6.397  -5.988  -5.080
  498    HA   PHE  61           HA       PHE  61   6.466  -8.897  -5.415
  499   1HB   PHE  61          2HB       PHE  61   7.812  -8.332  -3.407
  500   2HB   PHE  61          1HB       PHE  61   6.403  -7.541  -2.717
  501    HD1  PHE  61           HD2      PHE  61   7.797 -10.779  -3.770
  502    HD2  PHE  61           HD1      PHE  61   4.705  -8.779  -1.644
  503    HE1  PHE  61           HE2      PHE  61   7.097 -12.920  -2.787
  504    HE2  PHE  61           HE1      PHE  61   3.998 -10.914  -0.654
  505    HZ   PHE  61           HZ       PHE  61   5.191 -12.992  -1.227
  506    H    ARG  62           H        ARG  62   4.502  -9.786  -5.458
  507    HA   ARG  62           HA       ARG  62   2.226  -7.965  -5.183
  508   1HB   ARG  62          2HB       ARG  62   2.477  -8.975  -7.373
  509   2HB   ARG  62          1HB       ARG  62   2.514 -10.582  -6.665
  510   1HG   ARG  62          2HG       ARG  62   0.203 -10.384  -5.998
  511   2HG   ARG  62          1HG       ARG  62   0.150  -8.713  -6.570
  512   1HD   ARG  62          2HD       ARG  62  -0.837 -10.401  -8.141
  513   2HD   ARG  62          1HD       ARG  62   0.437  -9.398  -8.834
  514    HE   ARG  62           HE       ARG  62   1.103 -12.060  -7.780
  515   1HH1  ARG  62          1HH1      ARG  62   0.815  -9.859 -10.509
  516   2HH1  ARG  62          2HH1      ARG  62   1.729 -10.889 -11.577
  517   1HH2  ARG  62          1HH2      ARG  62   2.303 -13.380  -9.178
  518   2HH2  ARG  62          2HH2      ARG  62   2.571 -12.888 -10.821
  519    H    GLY  63           H        GLY  63   1.268  -8.056  -3.291
  520   1HA   GLY  63          2HA       GLY  63   1.154 -10.625  -1.854
  521   2HA   GLY  63          1HA       GLY  63   0.991  -9.039  -1.116
  522    H    GLU  64           H        GLU  64  -0.930 -10.242  -0.176
  523    HA   GLU  64           HA       GLU  64  -3.247  -9.767  -1.907
  524   1HB   GLU  64          2HB       GLU  64  -4.291 -11.874  -1.146
  525   2HB   GLU  64          1HB       GLU  64  -2.832 -12.149  -2.085
  526   1HG   GLU  64          2HG       GLU  64  -1.586 -12.734  -0.173
  527   2HG   GLU  64          1HG       GLU  64  -2.821 -12.108   0.915
  528    H    MET  65           H        MET  65  -5.087  -9.126  -0.880
  529    HA   MET  65           HA       MET  65  -4.915  -8.293   1.871
  530   1HB   MET  65          2HB       MET  65  -7.189  -8.268  -0.126
  531   2HB   MET  65          1HB       MET  65  -7.351  -7.697   1.529
  532   1HG   MET  65          2HG       MET  65  -5.523  -6.576  -0.578
  533   2HG   MET  65          1HG       MET  65  -7.011  -5.849   0.029
  534   1HE   MET  65          1HE       MET  65  -7.286  -5.279   2.726
  535   2HE   MET  65          2HE       MET  65  -5.921  -5.316   3.843
  536   3HE   MET  65          3HE       MET  65  -6.553  -6.821   3.173
  537    H    THR  66           H        THR  66  -5.013  -9.862   3.389
  538    HA   THR  66           HA       THR  66  -6.335 -12.359   2.789
  539    HB   THR  66           HB       THR  66  -5.431 -13.015   5.063
  540    HG1  THR  66           HG1      THR  66  -3.630 -10.915   5.000
  541   1HG2  THR  66          1HG2      THR  66  -4.285 -13.551   2.950
  542   2HG2  THR  66          2HG2      THR  66  -3.142 -13.231   4.256
  543   3HG2  THR  66          3HG2      THR  66  -3.443 -11.999   3.028
  544    H    ASN  67           H        ASN  67  -7.281  -9.456   4.191
  545    HA   ASN  67           HA       ASN  67  -9.588 -10.675   5.399
  546   1HB   ASN  67          2HB       ASN  67  -9.239  -9.920   7.647
  547   2HB   ASN  67          1HB       ASN  67  -7.825 -10.852   7.165
  548   1HD2  ASN  67          1HD2      ASN  67  -5.891  -9.734   6.666
  549   2HD2  ASN  67          2HD2      ASN  67  -5.600  -8.150   7.309
  550    H    TYR  68           H        TYR  68 -11.001  -9.023   6.440
  551    HA   TYR  68           HA       TYR  68 -10.730  -6.369   5.200
  552   1HB   TYR  68          2HB       TYR  68 -13.242  -6.332   5.115
  553   2HB   TYR  68          1HB       TYR  68 -12.518  -7.536   4.054
  554    HD1  TYR  68           HD2      TYR  68 -12.611  -9.944   4.679
  555    HD2  TYR  68           HD1      TYR  68 -14.685  -6.968   6.901
  556    HE1  TYR  68           HE2      TYR  68 -13.993 -11.692   5.717
  557    HE2  TYR  68           HE1      TYR  68 -16.072  -8.705   7.946
  558    HH   TYR  68           HH       TYR  68 -15.299 -12.036   7.721
  559    H    SER  69           H        SER  69 -10.909  -4.675   6.614
  560    HA   SER  69           HA       SER  69 -12.004  -5.159   9.268
  561   1HB   SER  69          2HB       SER  69  -9.113  -4.371   8.832
  562   2HB   SER  69          1HB       SER  69  -9.935  -4.349  10.391
  563    HG   SER  69           HG       SER  69  -8.997  -6.496   8.895
  564    H    THR  70           H        THR  70 -13.175  -3.486   9.843
  565    HA   THR  70           HA       THR  70 -12.682  -0.887   8.582
  566    HB   THR  70           HB       THR  70 -14.930  -0.274   9.543
  567    HG1  THR  70           HG1      THR  70 -14.819  -3.005  10.329
  568   1HG2  THR  70          1HG2      THR  70 -14.695  -0.976   7.217
  569   2HG2  THR  70          2HG2      THR  70 -16.214  -1.560   7.894
  570   3HG2  THR  70          3HG2      THR  70 -14.853  -2.665   7.700
  571    H    SER  71           H        SER  71 -10.961  -0.119   9.793
  572    HA   SER  71           HA       SER  71 -11.236   0.005  12.683
  573   1HB   SER  71          2HB       SER  71  -8.967   0.880  10.903
  574   2HB   SER  71          1HB       SER  71  -8.940   0.854  12.669
  575    HG   SER  71           HG       SER  71  -9.583  -1.486  12.311
  576    H    LEU  72           H        LEU  72 -11.511   2.082   9.910
  577    HA   LEU  72           HA       LEU  72 -12.398   4.247  11.665
  578   1HB   LEU  72          2HB       LEU  72  -9.920   4.493  10.894
  579   2HB   LEU  72          1HB       LEU  72 -10.609   4.879   9.331
  580    HG   LEU  72           HG       LEU  72  -9.986   6.876  10.647
  581   1HD1  LEU  72          1HD1      LEU  72 -12.063   8.126  10.343
  582   2HD1  LEU  72          2HD1      LEU  72 -12.940   6.611  10.131
  583   3HD1  LEU  72          3HD1      LEU  72 -11.711   7.089   8.961
  584   1HD2  LEU  72          1HD2      LEU  72 -12.164   5.957  12.517
  585   2HD2  LEU  72          2HD2      LEU  72 -11.342   7.516  12.583
  586   3HD2  LEU  72          3HD2      LEU  72 -10.438   6.032  12.872
  587    H    THR  73           H        THR  73 -11.755   3.822   8.181
  588    HA   THR  73           HA       THR  73 -14.203   4.971   7.363
  589    HB   THR  73           HB       THR  73 -13.586   3.526   5.202
  590    HG1  THR  73           HG1      THR  73 -11.020   3.840   6.349
  591   1HG2  THR  73          1HG2      THR  73 -12.145   5.981   6.201
  592   2HG2  THR  73          2HG2      THR  73 -13.557   5.916   5.147
  593   3HG2  THR  73          3HG2      THR  73 -11.990   5.373   4.554
  594    H    ASN  74           H        ASN  74 -16.032   3.950   6.416
  595    HA   ASN  74           HA       ASN  74 -16.723   1.456   7.741
  596   1HB   ASN  74          2HB       ASN  74 -19.004   1.919   7.057
  597   2HB   ASN  74          1HB       ASN  74 -18.307   3.375   7.760
  598   1HD2  ASN  74          1HD2      ASN  74 -20.575   3.237   6.056
  599   2HD2  ASN  74          2HD2      ASN  74 -20.196   4.141   4.629
  600    H    LEU  75           H        LEU  75 -15.372   2.396   4.878
  601    HA   LEU  75           HA       LEU  75 -15.181   1.588   2.773
  602   1HB   LEU  75          2HB       LEU  75 -15.207  -0.911   4.435
  603   2HB   LEU  75          1HB       LEU  75 -14.932  -0.956   2.703
  604    HG   LEU  75           HG       LEU  75 -13.063   0.816   3.291
  605   1HD1  LEU  75          1HD1      LEU  75 -13.599   1.000   5.646
  606   2HD1  LEU  75          2HD1      LEU  75 -11.989   0.318   5.426
  607   3HD1  LEU  75          3HD1      LEU  75 -13.338  -0.731   5.858
  608   1HD2  LEU  75          1HD2      LEU  75 -11.453  -1.016   3.451
  609   2HD2  LEU  75          2HD2      LEU  75 -12.674  -1.321   2.214
  610   3HD2  LEU  75          3HD2      LEU  75 -12.771  -2.142   3.772
  611    H    TYR  76           H        TYR  76 -17.400   2.497   2.559
  612    HA   TYR  76           HA       TYR  76 -18.957   0.770   0.940
  613   1HB   TYR  76          2HB       TYR  76 -19.779   0.006   3.140
  614   2HB   TYR  76          1HB       TYR  76 -20.198   1.664   3.558
  615    HD1  TYR  76           HD2      TYR  76 -20.975  -1.081   1.179
  616    HD2  TYR  76           HD1      TYR  76 -22.291   2.557   2.950
  617    HE1  TYR  76           HE2      TYR  76 -23.203  -1.410   0.190
  618    HE2  TYR  76           HE1      TYR  76 -24.518   2.235   1.966
  619    HH   TYR  76           HH       TYR  76 -25.530   1.045   0.058
  620    H    GLU  77           H        GLU  77 -19.042   3.661   2.963
  621    HA   GLU  77           HA       GLU  77 -19.101   5.391   0.702
  622   1HB   GLU  77          2HB       GLU  77 -21.505   4.707   0.845
  623   2HB   GLU  77          1HB       GLU  77 -21.562   5.398   2.463
  624   1HG   GLU  77          2HG       GLU  77 -20.903   7.586   1.468
  625   2HG   GLU  77          1HG       GLU  77 -21.069   6.848  -0.124
  626    HA   PRO  78           HA       PRO  78 -17.162   7.298   4.381
  627   1HB   PRO  78          2HB       PRO  78 -15.407   8.513   2.379
  628   2HB   PRO  78          1HB       PRO  78 -14.993   7.459   3.733
  629   1HG   PRO  78          2HG       PRO  78 -14.815   6.642   1.165
  630   2HG   PRO  78          1HG       PRO  78 -15.232   5.538   2.488
  631   1HD   PRO  78          2HD       PRO  78 -17.035   6.878   0.501
  632   2HD   PRO  78          1HD       PRO  78 -17.059   5.201   1.091
  633    H    GLY  79           H        GLY  79 -16.343   9.746   4.487
  634   1HA   GLY  79          2HA       GLY  79 -18.294  11.410   3.028
  635   2HA   GLY  79          1HA       GLY  79 -18.084  11.577   4.765
  636    H    ALA  80           H        ALA  80 -15.985  12.251   5.548
  637    HA   ALA  80           HA       ALA  80 -14.160  13.449   3.635
  638   1HB   ALA  80          1HB       ALA  80 -14.265  15.674   4.606
  639   2HB   ALA  80          2HB       ALA  80 -15.529  15.152   5.717
  640   3HB   ALA  80          3HB       ALA  80 -15.850  15.211   3.985
  641    H    VAL  81           H        VAL  81 -12.110  13.497   4.411
  642    HA   VAL  81           HA       VAL  81 -10.325  12.887   5.695
  643    HB   VAL  81           HB       VAL  81 -11.893  13.546   8.172
  644   1HG1  VAL  81          1HG1      VAL  81  -9.719  14.403   8.944
  645   2HG1  VAL  81          2HG1      VAL  81  -9.002  13.940   7.401
  646   3HG1  VAL  81          3HG1      VAL  81  -9.639  12.702   8.482
  647   1HG2  VAL  81          1HG2      VAL  81 -12.418  15.313   6.645
  648   2HG2  VAL  81          2HG2      VAL  81 -10.714  15.525   6.245
  649   3HG2  VAL  81          3HG2      VAL  81 -11.295  15.906   7.866
  650    H    SER  82           H        SER  82 -11.714  10.811   4.883
  651    HA   SER  82           HA       SER  82 -12.290   9.218   7.246
  652   1HB   SER  82          2HB       SER  82 -12.986   8.698   4.341
  653   2HB   SER  82          1HB       SER  82 -13.487   7.697   5.700
  654    HG   SER  82           HG       SER  82 -14.376   9.871   6.489
  655    H    GLU  83           H        GLU  83 -10.510   8.199   7.944
  656    HA   GLU  83           HA       GLU  83  -8.323   7.532   6.285
  657   1HB   GLU  83          2HB       GLU  83  -9.062   6.850   9.111
  658   2HB   GLU  83          1HB       GLU  83  -7.636   6.154   8.355
  659   1HG   GLU  83          2HG       GLU  83  -6.982   8.067   9.622
  660   2HG   GLU  83          1HG       GLU  83  -6.808   8.433   7.909
  661    H    PHE  84           H        PHE  84  -8.442   6.060   4.744
  662    HA   PHE  84           HA       PHE  84 -10.132   3.742   4.943
  663   1HB   PHE  84          2HB       PHE  84  -8.945   5.163   2.841
  664   2HB   PHE  84          1HB       PHE  84  -8.180   3.577   2.812
  665    HD1  PHE  84           HD1      PHE  84 -11.479   5.234   2.912
  666    HD2  PHE  84           HD2      PHE  84  -9.286   1.759   1.841
  667    HE1  PHE  84           HE1      PHE  84 -13.479   4.336   1.824
  668    HE2  PHE  84           HE2      PHE  84 -11.284   0.840   0.731
  669    HZ   PHE  84           HZ       PHE  84 -13.388   2.127   0.723
  670    H    TYR  85           H        TYR  85  -9.369   1.555   4.789
  671    HA   TYR  85           HA       TYR  85  -6.855   1.220   6.284
  672   1HB   TYR  85          2HB       TYR  85  -9.002   1.014   7.618
  673   2HB   TYR  85          1HB       TYR  85  -9.376  -0.404   6.648
  674    HD1  TYR  85           HD2      TYR  85  -7.990  -2.458   6.872
  675    HD2  TYR  85           HD1      TYR  85  -7.418   0.930   9.384
  676    HE1  TYR  85           HE2      TYR  85  -6.748  -3.853   8.469
  677    HE2  TYR  85           HE1      TYR  85  -6.195  -0.459  10.991
  678    HH   TYR  85           HH       TYR  85  -5.152  -3.659  10.230
  679    H    ILE  86           H        ILE  86  -5.528   0.393   4.709
  680    HA   ILE  86           HA       ILE  86  -6.438  -2.122   3.424
  681    HB   ILE  86           HB       ILE  86  -4.386  -0.284   2.196
  682   1HG1  ILE  86          2HG1      ILE  86  -6.546   0.939   2.377
  683   2HG1  ILE  86          1HG1      ILE  86  -6.084   0.609   0.712
  684   1HG2  ILE  86          1HG2      ILE  86  -4.400  -2.626   1.492
  685   2HG2  ILE  86          2HG2      ILE  86  -4.897  -1.561   0.176
  686   3HG2  ILE  86          3HG2      ILE  86  -6.107  -2.490   1.063
  687   1HD1  ILE  86          1HD1      ILE  86  -8.456   0.263   1.050
  688   2HD1  ILE  86          2HD1      ILE  86  -8.114  -0.918   2.315
  689   3HD1  ILE  86          3HD1      ILE  86  -7.653  -1.256   0.647
  690    H    GLU  87           H        GLU  87  -5.407  -3.633   4.702
  691    HA   GLU  87           HA       GLU  87  -2.520  -3.251   5.081
  692   1HB   GLU  87          2HB       GLU  87  -2.691  -4.911   6.935
  693   2HB   GLU  87          1HB       GLU  87  -3.523  -3.394   7.232
  694   1HG   GLU  87          2HG       GLU  87  -5.639  -4.385   6.934
  695   2HG   GLU  87          1HG       GLU  87  -4.937  -5.842   6.228
  696    H    ILE  88           H        ILE  88  -1.645  -4.136   3.349
  697    HA   ILE  88           HA       ILE  88  -2.649  -6.658   2.305
  698    HB   ILE  88           HB       ILE  88  -0.283  -5.045   1.347
  699   1HG1  ILE  88          2HG1      ILE  88  -3.179  -4.935   0.487
  700   2HG1  ILE  88          1HG1      ILE  88  -2.294  -3.662   1.320
  701   1HG2  ILE  88          1HG2      ILE  88  -0.624  -6.245  -0.750
  702   2HG2  ILE  88          2HG2      ILE  88  -1.977  -7.123  -0.036
  703   3HG2  ILE  88          3HG2      ILE  88  -0.343  -7.371   0.579
  704   1HD1  ILE  88          1HD1      ILE  88  -2.482  -3.124  -0.996
  705   2HD1  ILE  88          2HD1      ILE  88  -1.807  -4.685  -1.455
  706   3HD1  ILE  88          3HD1      ILE  88  -0.797  -3.495  -0.631
  707    H    THR  89           H        THR  89  -1.948  -8.502   2.956
  708    HA   THR  89           HA       THR  89   0.572  -8.712   4.398
  709    HB   THR  89           HB       THR  89  -0.389 -11.175   4.590
  710    HG1  THR  89           HG1      THR  89  -2.158 -10.483   3.103
  711   1HG2  THR  89          1HG2      THR  89  -1.539  -8.823   6.101
  712   2HG2  THR  89          2HG2      THR  89  -0.035  -9.663   6.480
  713   3HG2  THR  89          3HG2      THR  89  -1.577 -10.505   6.633
  714    H    GLU  90           H        GLU  90   2.156 -10.224   3.845
  715    HA   GLU  90           HA       GLU  90   2.808 -10.664   1.199
  716   1HB   GLU  90          2HB       GLU  90   4.285 -10.925   3.224
  717   2HB   GLU  90          1HB       GLU  90   3.513 -12.475   3.512
  718   1HG   GLU  90          2HG       GLU  90   4.404 -13.389   1.519
  719   2HG   GLU  90          1HG       GLU  90   4.956 -11.807   0.966
  720    H    ILE  91           H        ILE  91   2.430 -12.297  -0.255
  721    HA   ILE  91           HA       ILE  91  -0.162 -13.295  -0.272
  722    HB   ILE  91           HB       ILE  91   1.073 -12.833  -2.313
  723   1HG1  ILE  91          2HG1      ILE  91   0.245 -15.736  -2.080
  724   2HG1  ILE  91          1HG1      ILE  91  -0.815 -14.378  -2.444
  725   1HG2  ILE  91          1HG2      ILE  91   3.285 -13.548  -1.645
  726   2HG2  ILE  91          2HG2      ILE  91   2.809 -14.376  -3.128
  727   3HG2  ILE  91          3HG2      ILE  91   2.751 -15.229  -1.585
  728   1HD1  ILE  91          1HD1      ILE  91  -0.272 -15.656  -4.436
  729   2HD1  ILE  91          2HD1      ILE  91   1.447 -15.356  -4.169
  730   3HD1  ILE  91          3HD1      ILE  91   0.363 -14.014  -4.541
  731    H    ASP  92           H        ASP  92  -1.105 -15.219   0.092
  732    HA   ASP  92           HA       ASP  92   0.570 -17.385   1.184
  733   1HB   ASP  92          2HB       ASP  92  -2.220 -16.509   1.973
  734   2HB   ASP  92          1HB       ASP  92  -1.558 -18.073   2.422
  735    H    LYS  93           H        LYS  93  -1.752 -19.188   1.206
  736    HA   LYS  93           HA       LYS  93  -1.735 -19.859  -1.633
  737   1HB   LYS  93          2HB       LYS  93  -2.743 -21.471   0.712
  738   2HB   LYS  93          1HB       LYS  93  -2.471 -22.061  -0.923
  739   1HG   LYS  93          2HG       LYS  93  -0.101 -21.795  -0.695
  740   2HG   LYS  93          1HG       LYS  93  -0.294 -20.988   0.861
  741   1HD   LYS  93          2HD       LYS  93  -1.350 -23.102   1.715
  742   2HD   LYS  93          1HD       LYS  93  -0.873 -23.870   0.200
  743   1HE   LYS  93          2HE       LYS  93   1.454 -23.450   0.660
  744   2HE   LYS  93          1HE       LYS  93   1.041 -22.517   2.097
  745   1HZ   LYS  93          1HZ       LYS  93   1.704 -24.668   2.798
  746   2HZ   LYS  93          2HZ       LYS  93   0.679 -25.434   1.684
  747   3HZ   LYS  93          3HZ       LYS  93   0.020 -24.587   2.999
  748    H    ASN  94           H        ASN  94  -3.392 -17.811  -0.156
  749    HA   ASN  94           HA       ASN  94  -6.120 -18.742  -0.404
  750   1HB   ASN  94          2HB       ASN  94  -5.117 -15.939   0.125
  751   2HB   ASN  94          1HB       ASN  94  -6.724 -16.568   0.441
  752   1HD2  ASN  94          1HD2      ASN  94  -4.584 -15.328   2.093
  753   2HD2  ASN  94          2HD2      ASN  94  -4.396 -16.407   3.448
  754    H    ALA  95           H        ALA  95  -3.873 -16.605  -2.029
  755    HA   ALA  95           HA       ALA  95  -5.500 -15.154  -3.686
  756   1HB   ALA  95          1HB       ALA  95  -3.094 -14.789  -3.414
  757   2HB   ALA  95          2HB       ALA  95  -3.569 -14.838  -5.112
  758   3HB   ALA  95          3HB       ALA  95  -2.775 -16.231  -4.377
  759    H    ASP  96           H        ASP  96  -4.383 -18.471  -4.178
  760    HA   ASP  96           HA       ASP  96  -6.007 -18.523  -6.623
  761   1HB   ASP  96          2HB       ASP  96  -3.669 -18.914  -7.150
  762   2HB   ASP  96          1HB       ASP  96  -3.595 -20.229  -5.986
  763    H    SER  97           H        SER  97  -6.927 -20.558  -7.163
  764    HA   SER  97           HA       SER  97  -7.542 -22.662  -5.535
  765   1HB   SER  97          2HB       SER  97  -8.456 -20.951  -3.955
  766   2HB   SER  97          1HB       SER  97  -9.557 -20.409  -5.218
  767    HG   SER  97           HG       SER  97 -10.310 -22.675  -5.233
  768    H    LEU  98           H        LEU  98  -7.285 -21.249  -8.178
  769    HA   LEU  98           HA       LEU  98  -8.133 -21.174 -10.263
  770   1HB   LEU  98          2HB       LEU  98  -7.837 -23.602  -9.808
  771   2HB   LEU  98          1HB       LEU  98  -9.536 -23.687  -9.394
  772    HG   LEU  98           HG       LEU  98 -10.115 -22.976 -11.700
  773   1HD1  LEU  98          1HD1      LEU  98  -8.091 -21.737 -12.230
  774   2HD1  LEU  98          2HD1      LEU  98  -8.371 -23.003 -13.425
  775   3HD1  LEU  98          3HD1      LEU  98  -7.147 -23.225 -12.177
  776   1HD2  LEU  98          1HD2      LEU  98  -9.517 -25.091 -12.787
  777   2HD2  LEU  98          2HD2      LEU  98 -10.064 -25.343 -11.130
  778   3HD2  LEU  98          3HD2      LEU  98  -8.342 -25.410 -11.511
  779    H    GLU  99           H        GLU  99  -9.314 -19.289  -9.283
  780    HA   GLU  99           HA       GLU  99 -11.965 -19.441  -8.417
  781   1HB   GLU  99          2HB       GLU  99 -12.061 -17.004  -8.936
  782   2HB   GLU  99          1HB       GLU  99 -10.683 -17.474  -7.955
  783   1HG   GLU  99          2HG       GLU  99  -9.260 -17.420  -9.951
  784   2HG   GLU  99          1HG       GLU  99 -10.644 -16.898 -10.908
  785    H    HIS 100           H        HIS 100 -13.894 -19.382  -9.373
  786    HA   HIS 100           HA       HIS 100 -15.492 -19.678 -10.948
  787   1HB   HIS 100          2HB       HIS 100 -13.669 -18.188 -12.847
  788   2HB   HIS 100          1HB       HIS 100 -15.404 -18.414 -13.009
  789    HD1  HIS 100           HD1      HIS 100 -16.732 -17.332 -10.724
  790    HD2  HIS 100           HD2      HIS 100 -13.073 -15.748 -11.918
  791    HE1  HIS 100           HE1      HIS 100 -16.616 -15.040  -9.700
  792    HE2  HIS 100           HE2      HIS 100 -14.307 -14.190 -10.265
  793    H    HIS 101           H        HIS 101 -14.771 -21.941 -10.737
  794    HA   HIS 101           HA       HIS 101 -13.022 -23.225 -12.490
  795   1HB   HIS 101          2HB       HIS 101 -14.136 -24.164 -10.396
  796   2HB   HIS 101          1HB       HIS 101 -15.551 -24.460 -11.397
  797    HD1  HIS 101           HD1      HIS 101 -15.511 -26.974 -11.405
  798    HD2  HIS 101           HD2      HIS 101 -11.864 -25.296 -12.510
  799    HE1  HIS 101           HE1      HIS 101 -14.085 -28.894 -12.195
  800    HE2  HIS 101           HE2      HIS 101 -11.833 -27.879 -12.709
  801    H    HIS 102           H        HIS 102 -16.527 -22.732 -12.735
  802    HA   HIS 102           HA       HIS 102 -16.268 -23.034 -15.655
  803   1HB   HIS 102          2HB       HIS 102 -18.689 -23.113 -13.840
  804   2HB   HIS 102          1HB       HIS 102 -18.830 -22.939 -15.586
  805    HD1  HIS 102           HD1      HIS 102 -19.818 -25.166 -16.213
  806    HD2  HIS 102           HD2      HIS 102 -16.473 -25.534 -13.756
  807    HE1  HIS 102           HE1      HIS 102 -19.293 -27.623 -16.136
  808    HE2  HIS 102           HE2      HIS 102 -17.240 -27.826 -14.686
  809    H    HIS 103           H        HIS 103 -17.091 -21.309 -16.984
  810    HA   HIS 103           HA       HIS 103 -16.300 -18.779 -16.017
  811   1HB   HIS 103          2HB       HIS 103 -16.151 -19.411 -18.397
  812   2HB   HIS 103          1HB       HIS 103 -17.908 -19.412 -18.500
  813    HD1  HIS 103           HD1      HIS 103 -18.706 -17.383 -19.647
  814    HD2  HIS 103           HD2      HIS 103 -15.339 -16.607 -17.323
  815    HE1  HIS 103           HE1      HIS 103 -18.248 -14.922 -19.908
  816    HE2  HIS 103           HE2      HIS 103 -16.096 -14.526 -18.666
  817    H    HIS 104           H        HIS 104 -19.531 -19.412 -17.401
  818    HA   HIS 104           HA       HIS 104 -21.075 -18.850 -15.172
  819   1HB   HIS 104          2HB       HIS 104 -19.869 -16.584 -15.416
  820   2HB   HIS 104          1HB       HIS 104 -20.862 -16.351 -16.852
  821    HD1  HIS 104           HD1      HIS 104 -23.322 -15.748 -16.505
  822    HD2  HIS 104           HD2      HIS 104 -21.285 -16.569 -12.969
  823    HE1  HIS 104           HE1      HIS 104 -24.869 -15.041 -14.643
  824    HE2  HIS 104           HE2      HIS 104 -23.557 -15.426 -12.520
  825    H    HIS 105           H        HIS 105 -23.155 -19.297 -15.648
  826    HA   HIS 105           HA       HIS 105 -24.208 -18.650 -18.274
  827   1HB   HIS 105          2HB       HIS 105 -23.254 -20.989 -18.456
  828   2HB   HIS 105          1HB       HIS 105 -24.439 -21.489 -17.252
  829    HD1  HIS 105           HD1      HIS 105 -26.617 -22.282 -18.169
  830    HD2  HIS 105           HD2      HIS 105 -24.575 -19.834 -20.846
  831    HE1  HIS 105           HE1      HIS 105 -27.987 -22.286 -20.279
  832    HE2  HIS 105           HE2      HIS 105 -26.692 -20.872 -21.918
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  10.218   4.311   4.594
    2   2H    MET   1          2H        MET   1  10.800   5.499   5.652
    3   3H    MET   1          3H        MET   1  10.892   5.744   3.975
    4    HA   MET   1           HA       MET   1   8.444   5.615   5.638
    5   1HB   MET   1          2HB       MET   1   9.660   7.733   5.788
    6   2HB   MET   1          1HB       MET   1   9.711   7.851   4.035
    7   1HG   MET   1          2HG       MET   1   7.258   8.014   3.997
    8   2HG   MET   1          1HG       MET   1   7.244   7.953   5.759
    9   1HE   MET   1          1HE       MET   1   8.305   9.834   7.311
   10   2HE   MET   1          2HE       MET   1   9.127  11.267   6.689
   11   3HE   MET   1          3HE       MET   1   9.842   9.670   6.461
   12    H    VAL   2           H        VAL   2   9.878   5.208   2.528
   13    HA   VAL   2           HA       VAL   2   9.081   4.582   0.523
   14    HB   VAL   2           HB       VAL   2   6.479   4.019   1.956
   15   1HG1  VAL   2          1HG1      VAL   2   5.992   2.547   0.059
   16   2HG1  VAL   2          2HG1      VAL   2   7.484   3.064  -0.726
   17   3HG1  VAL   2          3HG1      VAL   2   6.180   4.223  -0.462
   18   1HG2  VAL   2          1HG2      VAL   2   8.369   2.775   2.884
   19   2HG2  VAL   2          2HG2      VAL   2   8.783   2.191   1.272
   20   3HG2  VAL   2          3HG2      VAL   2   7.264   1.703   2.025
   21    H    LYS   3           H        LYS   3   9.374   6.713  -0.165
   22    HA   LYS   3           HA       LYS   3   7.117   8.517  -0.179
   23   1HB   LYS   3          2HB       LYS   3   8.634   9.956  -1.574
   24   2HB   LYS   3          1HB       LYS   3   9.268   9.536   0.013
   25   1HG   LYS   3          2HG       LYS   3  10.678   7.832  -0.977
   26   2HG   LYS   3          1HG       LYS   3  10.010   8.177  -2.571
   27   1HD   LYS   3          2HD       LYS   3  12.161   9.243  -2.367
   28   2HD   LYS   3          1HD       LYS   3  10.906  10.480  -2.400
   29   1HE   LYS   3          2HE       LYS   3  11.983   9.433   0.198
   30   2HE   LYS   3          1HE       LYS   3  12.828  10.699  -0.686
   31   1HZ   LYS   3          1HZ       LYS   3  11.446  11.796   0.833
   32   2HZ   LYS   3          2HZ       LYS   3  10.116  10.802   0.502
   33   3HZ   LYS   3          3HZ       LYS   3  10.640  11.930  -0.651
   34    H    THR   4           H        THR   4   8.648   6.307  -2.417
   35    HA   THR   4           HA       THR   4   6.558   6.981  -4.369
   36    HB   THR   4           HB       THR   4   9.216   5.658  -4.948
   37    HG1  THR   4           HG1      THR   4   8.551   8.251  -4.576
   38   1HG2  THR   4          1HG2      THR   4   7.451   5.041  -6.527
   39   2HG2  THR   4          2HG2      THR   4   8.631   6.106  -7.294
   40   3HG2  THR   4          3HG2      THR   4   7.069   6.741  -6.777
   41    H    LEU   5           H        LEU   5   4.955   5.626  -3.750
   42    HA   LEU   5           HA       LEU   5   5.540   2.746  -4.009
   43   1HB   LEU   5          2HB       LEU   5   4.792   3.347  -1.739
   44   2HB   LEU   5          1HB       LEU   5   3.349   4.082  -2.411
   45    HG   LEU   5           HG       LEU   5   2.683   1.840  -3.285
   46   1HD1  LEU   5          1HD1      LEU   5   4.988   0.885  -1.593
   47   2HD1  LEU   5          2HD1      LEU   5   4.889   0.812  -3.352
   48   3HD1  LEU   5          3HD1      LEU   5   3.778  -0.138  -2.368
   49   1HD2  LEU   5          1HD2      LEU   5   1.923   0.994  -1.146
   50   2HD2  LEU   5          2HD2      LEU   5   1.782   2.752  -1.201
   51   3HD2  LEU   5          3HD2      LEU   5   3.105   2.000  -0.307
   52    H    ARG   6           H        ARG   6   4.343   1.609  -5.475
   53    HA   ARG   6           HA       ARG   6   1.965   2.893  -6.582
   54   1HB   ARG   6          2HB       ARG   6   2.668   2.060  -8.883
   55   2HB   ARG   6          1HB       ARG   6   3.496   3.479  -8.263
   56   1HG   ARG   6          2HG       ARG   6   5.443   2.196  -7.734
   57   2HG   ARG   6          1HG       ARG   6   4.604   0.689  -8.118
   58   1HD   ARG   6          2HD       ARG   6   4.547   1.180 -10.415
   59   2HD   ARG   6          1HD       ARG   6   4.941   2.877 -10.148
   60    HE   ARG   6           HE       ARG   6   7.196   2.218  -9.642
   61   1HH1  ARG   6          1HH1      ARG   6   5.177  -0.305 -11.015
   62   2HH1  ARG   6          2HH1      ARG   6   6.523  -1.226 -11.608
   63   1HH2  ARG   6          1HH2      ARG   6   8.966   0.995 -10.439
   64   2HH2  ARG   6          2HH2      ARG   6   8.661  -0.507 -11.275
   65    H    LEU   7           H        LEU   7   0.340   1.551  -7.115
   66    HA   LEU   7           HA       LEU   7   0.781  -1.315  -6.597
   67   1HB   LEU   7          2HB       LEU   7  -1.788   0.263  -6.392
   68   2HB   LEU   7          1HB       LEU   7  -1.588  -1.440  -6.017
   69    HG   LEU   7           HG       LEU   7  -0.276   0.836  -4.519
   70   1HD1  LEU   7          1HD1      LEU   7  -1.808   0.236  -2.706
   71   2HD1  LEU   7          2HD1      LEU   7  -2.590  -0.942  -3.759
   72   3HD1  LEU   7          3HD1      LEU   7  -2.677   0.777  -4.143
   73   1HD2  LEU   7          1HD2      LEU   7  -0.317  -2.133  -3.984
   74   2HD2  LEU   7          2HD2      LEU   7   0.336  -0.908  -2.899
   75   3HD2  LEU   7          3HD2      LEU   7   1.081  -1.177  -4.475
   76    H    ASN   8           H        ASN   8   1.087  -2.256  -8.482
   77    HA   ASN   8           HA       ASN   8   0.867  -2.906 -10.645
   78   1HB   ASN   8          2HB       ASN   8  -1.406  -3.573  -9.771
   79   2HB   ASN   8          1HB       ASN   8  -2.027  -2.049 -10.390
   80   1HD2  ASN   8          1HD2      ASN   8  -2.193  -1.747 -12.621
   81   2HD2  ASN   8          2HD2      ASN   8  -2.120  -3.072 -13.736
   82    H    ASN   9           H        ASN   9   2.203  -0.834 -10.793
   83    HA   ASN   9           HA       ASN   9   2.905   0.780 -12.217
   84   1HB   ASN   9          2HB       ASN   9   1.857  -0.499 -14.008
   85   2HB   ASN   9          1HB       ASN   9   0.308   0.267 -13.680
   86   1HD2  ASN   9          1HD2      ASN   9  -0.065   2.335 -14.387
   87   2HD2  ASN   9          2HD2      ASN   9   0.991   3.175 -15.471
   88    H    VAL  10           H        VAL  10  -0.166   1.100 -10.654
   89    HA   VAL  10           HA       VAL  10  -0.403   3.926 -11.269
   90    HB   VAL  10           HB       VAL  10  -2.104   2.215  -9.443
   91   1HG1  VAL  10          1HG1      VAL  10  -2.237   4.607  -8.938
   92   2HG1  VAL  10          2HG1      VAL  10  -3.748   4.007  -9.622
   93   3HG1  VAL  10          3HG1      VAL  10  -2.634   4.940 -10.622
   94   1HG2  VAL  10          1HG2      VAL  10  -2.170   1.422 -11.759
   95   2HG2  VAL  10          2HG2      VAL  10  -2.589   3.048 -12.303
   96   3HG2  VAL  10          3HG2      VAL  10  -3.707   2.145 -11.280
   97    H    THR  11           H        THR  11   0.805   5.305 -10.180
   98    HA   THR  11           HA       THR  11   2.105   4.669  -7.760
   99    HB   THR  11           HB       THR  11   3.066   6.261  -9.358
  100    HG1  THR  11           HG1      THR  11   3.644   7.886  -7.816
  101   1HG2  THR  11          1HG2      THR  11   0.779   8.066  -8.571
  102   2HG2  THR  11          2HG2      THR  11   1.034   7.326 -10.153
  103   3HG2  THR  11          3HG2      THR  11   2.164   8.541  -9.555
  104    H    LEU  12           H        LEU  12   1.786   5.571  -5.665
  105    HA   LEU  12           HA       LEU  12  -0.866   6.695  -5.137
  106   1HB   LEU  12          2HB       LEU  12  -0.946   4.177  -5.037
  107   2HB   LEU  12          1HB       LEU  12   0.194   4.256  -3.708
  108    HG   LEU  12           HG       LEU  12  -1.485   5.619  -2.441
  109   1HD1  LEU  12          1HD1      LEU  12  -2.761   6.459  -4.326
  110   2HD1  LEU  12          2HD1      LEU  12  -3.808   5.562  -3.223
  111   3HD1  LEU  12          3HD1      LEU  12  -3.273   4.821  -4.732
  112   1HD2  LEU  12          1HD2      LEU  12  -2.303   2.859  -3.338
  113   2HD2  LEU  12          2HD2      LEU  12  -2.937   3.698  -1.921
  114   3HD2  LEU  12          3HD2      LEU  12  -1.230   3.258  -1.996
  115    H    GLU  13           H        GLU  13  -1.061   7.546  -2.963
  116    HA   GLU  13           HA       GLU  13   1.497   7.959  -1.580
  117   1HB   GLU  13          2HB       GLU  13  -0.723   9.999  -1.856
  118   2HB   GLU  13          1HB       GLU  13   0.770  10.215  -0.952
  119   1HG   GLU  13          2HG       GLU  13   1.976   9.836  -3.153
  120   2HG   GLU  13          1HG       GLU  13   0.400  10.025  -3.922
  121    H    MET  14           H        MET  14   1.291   8.276   0.733
  122    HA   MET  14           HA       MET  14  -1.181   7.144   1.834
  123   1HB   MET  14          2HB       MET  14   1.613   6.330   2.674
  124   2HB   MET  14          1HB       MET  14   0.110   5.754   3.375
  125   1HG   MET  14          2HG       MET  14   0.846   4.024   1.992
  126   2HG   MET  14          1HG       MET  14  -0.432   4.819   1.079
  127   1HE   MET  14          1HE       MET  14   3.090   6.391   1.586
  128   2HE   MET  14          2HE       MET  14   4.023   5.682   0.265
  129   3HE   MET  14          3HE       MET  14   3.476   4.670   1.602
  130    H    ALA  15           H        ALA  15  -1.705   7.868   3.854
  131    HA   ALA  15           HA       ALA  15  -0.261  10.257   4.728
  132   1HB   ALA  15          1HB       ALA  15  -2.660  10.455   4.307
  133   2HB   ALA  15          2HB       ALA  15  -2.268  10.777   5.997
  134   3HB   ALA  15          3HB       ALA  15  -2.975   9.227   5.533
  135    H    ALA  16           H        ALA  16  -1.730   7.315   6.061
  136    HA   ALA  16           HA       ALA  16   0.352   7.355   8.139
  137   1HB   ALA  16          1HB       ALA  16  -2.377   6.080   8.340
  138   2HB   ALA  16          2HB       ALA  16  -1.912   7.614   9.074
  139   3HB   ALA  16          3HB       ALA  16  -1.140   6.116   9.596
  140    H    TYR  17           H        TYR  17   1.808   6.282   6.831
  141    HA   TYR  17           HA       TYR  17   1.185   3.725   5.677
  142   1HB   TYR  17          2HB       TYR  17   2.848   5.306   4.705
  143   2HB   TYR  17          1HB       TYR  17   3.876   5.040   6.106
  144    HD1  TYR  17           HD1      TYR  17   2.307   3.316   3.220
  145    HD2  TYR  17           HD2      TYR  17   5.390   3.243   6.150
  146    HE1  TYR  17           HE1      TYR  17   3.352   1.419   2.061
  147    HE2  TYR  17           HE2      TYR  17   6.443   1.341   5.002
  148    HH   TYR  17           HH       TYR  17   5.873  -0.445   3.454
  149    H    GLN  18           H        GLN  18   0.652   2.218   7.170
  150    HA   GLN  18           HA       GLN  18   2.478   1.769   9.430
  151   1HB   GLN  18          2HB       GLN  18   0.181   2.050  10.110
  152   2HB   GLN  18          1HB       GLN  18  -0.367   0.885   8.913
  153   1HG   GLN  18          2HG       GLN  18   1.102  -0.796  10.190
  154   2HG   GLN  18          1HG       GLN  18   1.075   0.400  11.487
  155   1HE2  GLN  18          1HE2      GLN  18  -1.629   1.290  10.772
  156   2HE2  GLN  18          2HE2      GLN  18  -2.695   0.057  11.345
  157    H    GLU  19           H        GLU  19   4.069   0.368   8.829
  158    HA   GLU  19           HA       GLU  19   3.157  -2.084   7.463
  159   1HB   GLU  19          2HB       GLU  19   4.697  -0.568   6.122
  160   2HB   GLU  19          1HB       GLU  19   5.953  -0.996   7.274
  161   1HG   GLU  19          2HG       GLU  19   5.475  -3.412   6.694
  162   2HG   GLU  19          1HG       GLU  19   4.507  -2.793   5.359
  163    H    GLU  20           H        GLU  20   3.496  -3.897   8.439
  164    HA   GLU  20           HA       GLU  20   5.499  -4.073  10.599
  165   1HB   GLU  20          2HB       GLU  20   3.009  -5.755  10.197
  166   2HB   GLU  20          1HB       GLU  20   4.182  -5.956  11.491
  167   1HG   GLU  20          2HG       GLU  20   3.627  -3.653  12.261
  168   2HG   GLU  20          1HG       GLU  20   2.344  -3.614  11.055
  169    H    SER  21           H        SER  21   7.259  -4.850   9.697
  170    HA   SER  21           HA       SER  21   7.017  -6.397   7.229
  171   1HB   SER  21          2HB       SER  21   9.583  -5.340   8.381
  172   2HB   SER  21          1HB       SER  21   9.142  -5.587   6.691
  173    HG   SER  21           HG       SER  21   8.015  -3.749   6.678
  174    H    GLU  22           H        GLU  22   7.482  -7.111  10.500
  175    HA   GLU  22           HA       GLU  22   9.270  -9.290   9.746
  176   1HB   GLU  22          2HB       GLU  22   9.367  -7.544  12.061
  177   2HB   GLU  22          1HB       GLU  22   9.713  -9.242  12.373
  178   1HG   GLU  22          2HG       GLU  22  11.287  -9.224  10.502
  179   2HG   GLU  22          1HG       GLU  22  11.052  -7.485  10.354
  180    HA   PRO  23           HA       PRO  23   6.371 -11.735  12.027
  181   1HB   PRO  23          2HB       PRO  23   3.744 -11.125  12.056
  182   2HB   PRO  23          1HB       PRO  23   4.853 -10.568  13.313
  183   1HG   PRO  23          2HG       PRO  23   3.764  -9.080  10.962
  184   2HG   PRO  23          1HG       PRO  23   4.012  -8.518  12.626
  185   1HD   PRO  23          2HD       PRO  23   5.742  -8.037  10.524
  186   2HD   PRO  23          1HD       PRO  23   6.201  -8.004  12.240
  187    H    LYS  24           H        LYS  24   5.692  -9.828   9.343
  188    HA   LYS  24           HA       LYS  24   5.898 -11.749   7.375
  189   1HB   LYS  24          2HB       LYS  24   3.169 -11.273   8.393
  190   2HB   LYS  24          1HB       LYS  24   3.349 -11.038   6.666
  191   1HG   LYS  24          2HG       LYS  24   4.241 -13.296   6.439
  192   2HG   LYS  24          1HG       LYS  24   4.102 -13.522   8.181
  193   1HD   LYS  24          2HD       LYS  24   1.644 -13.131   7.958
  194   2HD   LYS  24          1HD       LYS  24   1.860 -13.136   6.205
  195   1HE   LYS  24          2HE       LYS  24   2.806 -15.398   6.343
  196   2HE   LYS  24          1HE       LYS  24   2.552 -15.388   8.085
  197   1HZ   LYS  24          1HZ       LYS  24   0.508 -15.418   5.939
  198   2HZ   LYS  24          2HZ       LYS  24   0.125 -15.034   7.548
  199   3HZ   LYS  24          3HZ       LYS  24   0.765 -16.558   7.171
  200    H    ARG  25           H        ARG  25   5.023 -10.457   5.193
  201    HA   ARG  25           HA       ARG  25   5.695  -7.662   5.662
  202   1HB   ARG  25          2HB       ARG  25   5.129  -9.171   3.115
  203   2HB   ARG  25          1HB       ARG  25   5.376  -7.433   3.164
  204   1HG   ARG  25          2HG       ARG  25   7.351  -9.584   3.876
  205   2HG   ARG  25          1HG       ARG  25   7.425  -8.444   2.537
  206   1HD   ARG  25          2HD       ARG  25   7.456  -6.613   4.293
  207   2HD   ARG  25          1HD       ARG  25   7.772  -7.892   5.461
  208    HE   ARG  25           HE       ARG  25   9.585  -6.859   3.450
  209   1HH1  ARG  25          1HH1      ARG  25   8.922  -9.436   5.746
  210   2HH1  ARG  25          2HH1      ARG  25  10.569  -9.964   5.802
  211   1HH2  ARG  25          1HH2      ARG  25  11.739  -7.556   3.545
  212   2HH2  ARG  25          2HH2      ARG  25  12.172  -8.898   4.552
  213    H    LYS  26           H        LYS  26   3.944  -7.036   6.931
  214    HA   LYS  26           HA       LYS  26   1.328  -7.041   5.584
  215   1HB   LYS  26          2HB       LYS  26   1.593  -7.960   7.973
  216   2HB   LYS  26          1HB       LYS  26   1.794  -6.283   8.462
  217   1HG   LYS  26          2HG       LYS  26  -0.447  -6.041   7.026
  218   2HG   LYS  26          1HG       LYS  26  -0.614  -7.718   7.541
  219   1HD   LYS  26          2HD       LYS  26  -1.708  -6.444   9.188
  220   2HD   LYS  26          1HD       LYS  26  -0.150  -6.887   9.894
  221   1HE   LYS  26          2HE       LYS  26   0.739  -4.711   9.485
  222   2HE   LYS  26          1HE       LYS  26  -0.650  -4.265   8.494
  223   1HZ   LYS  26          1HZ       LYS  26  -0.835  -3.282  10.672
  224   2HZ   LYS  26          2HZ       LYS  26  -0.673  -4.796  11.417
  225   3HZ   LYS  26          3HZ       LYS  26  -2.051  -4.451  10.475
  226    H    ILE  27           H        ILE  27   1.221  -5.284   4.345
  227    HA   ILE  27           HA       ILE  27   2.073  -2.719   5.481
  228    HB   ILE  27           HB       ILE  27   3.168  -2.973   3.435
  229   1HG1  ILE  27          2HG1      ILE  27   0.655  -1.405   2.823
  230   2HG1  ILE  27          1HG1      ILE  27   2.093  -0.779   3.624
  231   1HG2  ILE  27          1HG2      ILE  27   0.585  -3.929   2.225
  232   2HG2  ILE  27          2HG2      ILE  27   1.990  -4.916   2.623
  233   3HG2  ILE  27          3HG2      ILE  27   2.100  -3.696   1.354
  234   1HD1  ILE  27          1HD1      ILE  27   3.387  -1.114   1.596
  235   2HD1  ILE  27          2HD1      ILE  27   1.975  -0.103   1.282
  236   3HD1  ILE  27          3HD1      ILE  27   1.972  -1.798   0.795
  237    H    ALA  28           H        ALA  28   0.524  -1.669   6.448
  238    HA   ALA  28           HA       ALA  28  -2.188  -1.718   5.291
  239   1HB   ALA  28          1HB       ALA  28  -1.394  -1.374   8.183
  240   2HB   ALA  28          2HB       ALA  28  -2.097  -2.826   7.473
  241   3HB   ALA  28          3HB       ALA  28  -3.041  -1.339   7.554
  242    H    PHE  29           H        PHE  29  -2.269   0.140   4.128
  243    HA   PHE  29           HA       PHE  29  -1.146   2.526   5.391
  244   1HB   PHE  29          2HB       PHE  29  -1.274   3.539   3.080
  245   2HB   PHE  29          1HB       PHE  29  -0.103   2.251   3.301
  246    HD1  PHE  29           HD2      PHE  29  -3.278   3.198   1.713
  247    HD2  PHE  29           HD1      PHE  29  -0.328   0.158   2.157
  248    HE1  PHE  29           HE2      PHE  29  -4.183   2.035  -0.251
  249    HE2  PHE  29           HE1      PHE  29  -1.231  -1.007   0.190
  250    HZ   PHE  29           HZ       PHE  29  -3.162  -0.070  -1.018
  251    H    THR  30           H        THR  30  -2.325   4.140   6.002
  252    HA   THR  30           HA       THR  30  -5.192   4.118   5.559
  253    HB   THR  30           HB       THR  30  -3.645   6.231   7.051
  254    HG1  THR  30           HG1      THR  30  -4.483   4.567   8.841
  255   1HG2  THR  30          1HG2      THR  30  -6.019   6.633   6.630
  256   2HG2  THR  30          2HG2      THR  30  -5.705   6.392   8.350
  257   3HG2  THR  30          3HG2      THR  30  -6.417   5.092   7.393
  258    H    LEU  31           H        LEU  31  -5.919   5.013   3.745
  259    HA   LEU  31           HA       LEU  31  -4.308   7.013   2.354
  260   1HB   LEU  31          2HB       LEU  31  -5.336   4.931   1.273
  261   2HB   LEU  31          1HB       LEU  31  -6.875   5.752   1.403
  262    HG   LEU  31           HG       LEU  31  -4.568   7.006  -0.067
  263   1HD1  LEU  31          1HD1      LEU  31  -5.509   6.074  -2.134
  264   2HD1  LEU  31          2HD1      LEU  31  -6.630   5.105  -1.175
  265   3HD1  LEU  31          3HD1      LEU  31  -4.894   4.819  -1.060
  266   1HD2  LEU  31          1HD2      LEU  31  -7.562   7.316  -0.272
  267   2HD2  LEU  31          2HD2      LEU  31  -6.372   8.152  -1.269
  268   3HD2  LEU  31          3HD2      LEU  31  -6.443   8.462   0.465
  269    H    ASN  32           H        ASN  32  -4.878   9.115   2.137
  270    HA   ASN  32           HA       ASN  32  -6.929  10.135   3.871
  271   1HB   ASN  32          2HB       ASN  32  -4.805  11.329   3.637
  272   2HB   ASN  32          1HB       ASN  32  -5.111  11.568   1.919
  273   1HD2  ASN  32          1HD2      ASN  32  -5.960  12.521   5.145
  274   2HD2  ASN  32          2HD2      ASN  32  -6.836  13.943   4.707
  275    H    VAL  33           H        VAL  33  -8.957   9.904   3.265
  276    HA   VAL  33           HA       VAL  33  -9.707  10.422   0.469
  277    HB   VAL  33           HB       VAL  33 -11.116   8.741   2.542
  278   1HG1  VAL  33          1HG1      VAL  33 -12.600   8.059   0.718
  279   2HG1  VAL  33          2HG1      VAL  33 -11.801   9.204  -0.360
  280   3HG1  VAL  33          3HG1      VAL  33 -12.714   9.791   1.029
  281   1HG2  VAL  33          1HG2      VAL  33  -9.127   7.645   1.778
  282   2HG2  VAL  33          2HG2      VAL  33  -9.520   8.009   0.099
  283   3HG2  VAL  33          3HG2      VAL  33 -10.516   6.876   1.010
  284    H    THR  34           H        THR  34 -10.170  12.615   0.523
  285    HA   THR  34           HA       THR  34 -11.997  13.564   2.586
  286    HB   THR  34           HB       THR  34 -11.631  15.772   1.783
  287    HG1  THR  34           HG1      THR  34 -11.071  16.216  -0.219
  288   1HG2  THR  34          1HG2      THR  34  -9.031  14.258   1.601
  289   2HG2  THR  34          2HG2      THR  34  -9.774  14.889   3.072
  290   3HG2  THR  34          3HG2      THR  34  -9.187  15.998   1.832
  291    H    SER  35           H        SER  35 -13.914  14.882   1.829
  292    HA   SER  35           HA       SER  35 -15.562  13.212   0.269
  293   1HB   SER  35          2HB       SER  35 -17.056  15.409   0.459
  294   2HB   SER  35          1HB       SER  35 -16.775  14.348   1.841
  295    HG   SER  35           HG       SER  35 -15.203  16.649   1.217
  296    H    GLU  36           H        GLU  36 -13.274  15.417  -0.743
  297    HA   GLU  36           HA       GLU  36 -14.729  16.335  -3.090
  298   1HB   GLU  36          2HB       GLU  36 -11.852  16.830  -2.296
  299   2HB   GLU  36          1HB       GLU  36 -12.717  17.630  -3.596
  300   1HG   GLU  36          2HG       GLU  36 -12.655  19.156  -1.817
  301   2HG   GLU  36          1HG       GLU  36 -14.297  18.514  -1.848
  302    H    THR  37           H        THR  37 -12.773  13.714  -2.206
  303    HA   THR  37           HA       THR  37 -12.295  13.037  -5.023
  304    HB   THR  37           HB       THR  37 -10.255  14.125  -4.155
  305    HG1  THR  37           HG1      THR  37  -9.979  12.460  -5.687
  306   1HG2  THR  37          1HG2      THR  37 -10.243  11.880  -2.137
  307   2HG2  THR  37          2HG2      THR  37 -10.474  13.596  -1.799
  308   3HG2  THR  37          3HG2      THR  37  -8.923  13.017  -2.404
  309    H    TYR  38           H        TYR  38 -13.918  12.157  -2.505
  310    HA   TYR  38           HA       TYR  38 -12.842   9.600  -1.825
  311   1HB   TYR  38          2HB       TYR  38 -14.417   9.546  -0.159
  312   2HB   TYR  38          1HB       TYR  38 -14.371  11.279  -0.449
  313    HD1  TYR  38           HD1      TYR  38 -16.193  12.334  -1.821
  314    HD2  TYR  38           HD2      TYR  38 -16.370   8.288  -0.521
  315    HE1  TYR  38           HE1      TYR  38 -18.604  12.298  -2.274
  316    HE2  TYR  38           HE2      TYR  38 -18.774   8.242  -0.968
  317    HH   TYR  38           HH       TYR  38 -20.646   9.774  -1.207
  318    H    HIS  39           H        HIS  39 -14.976  10.723  -4.286
  319    HA   HIS  39           HA       HIS  39 -16.699   8.460  -4.360
  320   1HB   HIS  39          2HB       HIS  39 -17.308  10.715  -5.241
  321   2HB   HIS  39          1HB       HIS  39 -16.189  10.456  -6.574
  322    HD1  HIS  39           HD1      HIS  39 -19.509   9.327  -5.242
  323    HD2  HIS  39           HD2      HIS  39 -17.118   8.769  -8.596
  324    HE1  HIS  39           HE1      HIS  39 -20.965   8.152  -6.921
  325    HE2  HIS  39           HE2      HIS  39 -19.451   7.691  -8.887
  326    H    ASP  40           H        ASP  40 -13.782   9.362  -6.108
  327    HA   ASP  40           HA       ASP  40 -13.792   7.196  -7.932
  328   1HB   ASP  40          2HB       ASP  40 -12.409   9.211  -8.243
  329   2HB   ASP  40          1HB       ASP  40 -11.456   8.773  -6.828
  330    H    ILE  41           H        ILE  41 -12.409   7.641  -4.735
  331    HA   ILE  41           HA       ILE  41 -11.062   5.119  -4.664
  332    HB   ILE  41           HB       ILE  41 -11.813   6.863  -2.309
  333   1HG1  ILE  41          2HG1      ILE  41  -9.321   7.019  -4.022
  334   2HG1  ILE  41          1HG1      ILE  41 -10.672   8.141  -4.140
  335   1HG2  ILE  41          1HG2      ILE  41  -9.787   5.887  -1.314
  336   2HG2  ILE  41          2HG2      ILE  41  -9.570   4.898  -2.757
  337   3HG2  ILE  41          3HG2      ILE  41 -10.978   4.653  -1.726
  338   1HD1  ILE  41          1HD1      ILE  41 -10.278   8.844  -1.831
  339   2HD1  ILE  41          2HD1      ILE  41  -8.860   9.094  -2.850
  340   3HD1  ILE  41          3HD1      ILE  41  -8.913   7.731  -1.732
  341    H    ALA  42           H        ALA  42 -14.253   6.232  -3.933
  342    HA   ALA  42           HA       ALA  42 -15.106   4.029  -2.360
  343   1HB   ALA  42          1HB       ALA  42 -16.719   5.864  -4.131
  344   2HB   ALA  42          2HB       ALA  42 -16.360   6.118  -2.423
  345   3HB   ALA  42          3HB       ALA  42 -17.374   4.764  -2.917
  346    H    VAL  43           H        VAL  43 -14.661   4.567  -5.752
  347    HA   VAL  43           HA       VAL  43 -16.039   2.170  -6.578
  348    HB   VAL  43           HB       VAL  43 -14.066   3.860  -8.135
  349   1HG1  VAL  43          1HG1      VAL  43 -16.088   1.832  -9.086
  350   2HG1  VAL  43          2HG1      VAL  43 -14.340   1.606  -9.044
  351   3HG1  VAL  43          3HG1      VAL  43 -15.046   2.817 -10.114
  352   1HG2  VAL  43          1HG2      VAL  43 -15.982   5.183  -7.432
  353   2HG2  VAL  43          2HG2      VAL  43 -17.079   3.962  -8.077
  354   3HG2  VAL  43          3HG2      VAL  43 -16.044   4.884  -9.170
  355    H    LEU  44           H        LEU  44 -12.705   3.230  -6.111
  356    HA   LEU  44           HA       LEU  44 -11.622   0.591  -6.569
  357   1HB   LEU  44          2HB       LEU  44 -10.383   2.679  -7.127
  358   2HB   LEU  44          1HB       LEU  44 -10.308   3.056  -5.417
  359    HG   LEU  44           HG       LEU  44  -8.984   0.986  -5.053
  360   1HD1  LEU  44          1HD1      LEU  44  -8.023  -0.150  -6.985
  361   2HD1  LEU  44          2HD1      LEU  44  -9.006   0.843  -8.060
  362   3HD1  LEU  44          3HD1      LEU  44  -9.780  -0.295  -6.956
  363   1HD2  LEU  44          1HD2      LEU  44  -7.864   2.924  -7.072
  364   2HD2  LEU  44          2HD2      LEU  44  -6.919   1.832  -6.061
  365   3HD2  LEU  44          3HD2      LEU  44  -7.864   3.124  -5.321
  366    H    LEU  45           H        LEU  45 -12.886  -0.543  -4.963
  367    HA   LEU  45           HA       LEU  45 -12.448   0.253  -2.185
  368   1HB   LEU  45          2HB       LEU  45 -14.783   0.148  -3.152
  369   2HB   LEU  45          1HB       LEU  45 -14.574  -1.585  -3.287
  370    HG   LEU  45           HG       LEU  45 -14.251  -1.674  -0.813
  371   1HD1  LEU  45          1HD1      LEU  45 -13.545   0.620  -0.446
  372   2HD1  LEU  45          2HD1      LEU  45 -14.977   0.249   0.514
  373   3HD1  LEU  45          3HD1      LEU  45 -15.126   1.206  -0.960
  374   1HD2  LEU  45          1HD2      LEU  45 -16.852  -0.517  -1.807
  375   2HD2  LEU  45          2HD2      LEU  45 -16.626  -1.393  -0.292
  376   3HD2  LEU  45          3HD2      LEU  45 -16.390  -2.218  -1.831
  377    H    TYR  46           H        TYR  46 -10.502  -0.696  -2.003
  378    HA   TYR  46           HA       TYR  46  -8.910  -2.294  -1.695
  379   1HB   TYR  46          2HB       TYR  46  -9.458  -3.858   0.144
  380   2HB   TYR  46          1HB       TYR  46  -9.841  -2.181   0.480
  381    HD1  TYR  46           HD1      TYR  46 -12.190  -1.464   0.655
  382    HD2  TYR  46           HD2      TYR  46 -11.160  -5.546   0.077
  383    HE1  TYR  46           HE1      TYR  46 -14.438  -2.129   1.381
  384    HE2  TYR  46           HE2      TYR  46 -13.410  -6.224   0.788
  385    HH   TYR  46           HH       TYR  46 -15.256  -5.381   2.093
  386    H    GLU  47           H        GLU  47  -8.393  -3.312  -3.523
  387    HA   GLU  47           HA       GLU  47 -10.025  -5.278  -4.754
  388   1HB   GLU  47          2HB       GLU  47  -7.329  -4.146  -5.238
  389   2HB   GLU  47          1HB       GLU  47  -7.667  -5.731  -5.924
  390   1HG   GLU  47          2HG       GLU  47  -9.324  -3.260  -6.371
  391   2HG   GLU  47          1HG       GLU  47  -8.120  -3.902  -7.492
  392    H    LYS  48           H        LYS  48  -9.109  -7.417  -5.351
  393    HA   LYS  48           HA       LYS  48  -8.825  -8.993  -3.013
  394   1HB   LYS  48          2HB       LYS  48  -8.449 -10.806  -4.870
  395   2HB   LYS  48          1HB       LYS  48 -10.025 -10.045  -4.689
  396   1HG   LYS  48          2HG       LYS  48  -9.328  -8.415  -6.477
  397   2HG   LYS  48          1HG       LYS  48  -7.913  -9.431  -6.743
  398   1HD   LYS  48          2HD       LYS  48  -9.245 -11.262  -7.434
  399   2HD   LYS  48          1HD       LYS  48 -10.726 -10.484  -6.872
  400   1HE   LYS  48          2HE       LYS  48  -8.980  -9.533  -9.142
  401   2HE   LYS  48          1HE       LYS  48 -10.516 -10.380  -9.313
  402   1HZ   LYS  48          1HZ       LYS  48 -11.051  -8.142  -9.559
  403   2HZ   LYS  48          2HZ       LYS  48 -10.028  -7.638  -8.307
  404   3HZ   LYS  48          3HZ       LYS  48 -11.466  -8.464  -7.948
  405    H    THR  49           H        THR  49  -6.632  -8.476  -5.777
  406    HA   THR  49           HA       THR  49  -4.388  -9.161  -4.010
  407    HB   THR  49           HB       THR  49  -3.311  -9.951  -6.270
  408    HG1  THR  49           HG1      THR  49  -5.027  -9.426  -7.638
  409   1HG2  THR  49          1HG2      THR  49  -3.692 -11.393  -4.323
  410   2HG2  THR  49          2HG2      THR  49  -4.051 -12.240  -5.828
  411   3HG2  THR  49          3HG2      THR  49  -5.367 -11.628  -4.823
  412    H    PHE  50           H        PHE  50  -2.837  -7.688  -3.916
  413    HA   PHE  50           HA       PHE  50  -2.955  -5.457  -5.834
  414   1HB   PHE  50          2HB       PHE  50  -2.015  -5.595  -2.974
  415   2HB   PHE  50          1HB       PHE  50  -1.596  -4.251  -4.026
  416    HD1  PHE  50           HD1      PHE  50  -4.390  -6.012  -2.388
  417    HD2  PHE  50           HD2      PHE  50  -3.143  -2.547  -4.518
  418    HE1  PHE  50           HE1      PHE  50  -6.504  -4.899  -1.811
  419    HE2  PHE  50           HE2      PHE  50  -5.258  -1.429  -3.947
  420    HZ   PHE  50           HZ       PHE  50  -6.941  -2.606  -2.590
  421    H    ASN  51           H        ASN  51  -1.367  -5.193  -7.214
  422    HA   ASN  51           HA       ASN  51   1.076  -6.740  -6.950
  423   1HB   ASN  51          2HB       ASN  51  -0.182  -6.418  -9.143
  424   2HB   ASN  51          1HB       ASN  51   0.377  -4.749  -9.121
  425   1HD2  ASN  51          1HD2      ASN  51   2.551  -4.309  -9.477
  426   2HD2  ASN  51          2HD2      ASN  51   3.626  -5.480 -10.153
  427    H    VAL  52           H        VAL  52   2.059  -5.784  -5.174
  428    HA   VAL  52           HA       VAL  52   2.282  -2.918  -4.950
  429    HB   VAL  52           HB       VAL  52   3.556  -5.059  -3.235
  430   1HG1  VAL  52          1HG1      VAL  52   4.631  -2.912  -2.964
  431   2HG1  VAL  52          2HG1      VAL  52   3.665  -3.280  -1.535
  432   3HG1  VAL  52          3HG1      VAL  52   3.069  -2.127  -2.731
  433   1HG2  VAL  52          1HG2      VAL  52   0.937  -3.606  -2.868
  434   2HG2  VAL  52          2HG2      VAL  52   1.679  -4.696  -1.695
  435   3HG2  VAL  52          3HG2      VAL  52   1.137  -5.315  -3.254
  436    H    GLU  53           H        GLU  53   3.791  -1.767  -5.905
  437    HA   GLU  53           HA       GLU  53   6.441  -2.974  -6.357
  438   1HB   GLU  53          2HB       GLU  53   5.107  -0.914  -8.132
  439   2HB   GLU  53          1HB       GLU  53   6.597  -1.789  -8.457
  440   1HG   GLU  53          2HG       GLU  53   5.456  -3.795  -8.876
  441   2HG   GLU  53          1HG       GLU  53   3.965  -3.195  -8.152
  442    H    VAL  54           H        VAL  54   7.909  -2.046  -5.200
  443    HA   VAL  54           HA       VAL  54   7.644   0.821  -4.670
  444    HB   VAL  54           HB       VAL  54   6.853  -0.339  -2.687
  445   1HG1  VAL  54          1HG1      VAL  54   8.025  -2.451  -2.943
  446   2HG1  VAL  54          2HG1      VAL  54   8.277  -1.755  -1.342
  447   3HG1  VAL  54          3HG1      VAL  54   9.551  -1.652  -2.558
  448   1HG2  VAL  54          1HG2      VAL  54   9.557   0.894  -2.324
  449   2HG2  VAL  54          2HG2      VAL  54   8.350   0.675  -1.058
  450   3HG2  VAL  54          3HG2      VAL  54   8.017   1.743  -2.421
  451    HA   PRO  55           HA       PRO  55  11.765   0.414  -6.439
  452   1HB   PRO  55          2HB       PRO  55  12.113   3.106  -6.763
  453   2HB   PRO  55          1HB       PRO  55  11.247   2.081  -7.912
  454   1HG   PRO  55          2HG       PRO  55  10.166   3.870  -5.774
  455   2HG   PRO  55          1HG       PRO  55   9.577   3.614  -7.426
  456   1HD   PRO  55          2HD       PRO  55   8.414   2.458  -5.279
  457   2HD   PRO  55          1HD       PRO  55   8.480   1.666  -6.866
  458    H    GLU  56           H        GLU  56  10.758   2.421  -3.737
  459    HA   GLU  56           HA       GLU  56  13.344   3.242  -2.924
  460   1HB   GLU  56          2HB       GLU  56  11.259   4.371  -2.189
  461   2HB   GLU  56          1HB       GLU  56  10.860   2.956  -1.222
  462   1HG   GLU  56          2HG       GLU  56  12.929   3.295   0.073
  463   2HG   GLU  56          1HG       GLU  56  13.244   4.759  -0.857
  464    H    ARG  57           H        ARG  57  11.254   0.560  -1.901
  465    HA   ARG  57           HA       ARG  57  13.388  -0.455  -0.190
  466   1HB   ARG  57          2HB       ARG  57  10.655  -1.658  -0.651
  467   2HB   ARG  57          1HB       ARG  57  11.773  -2.029   0.653
  468   1HG   ARG  57          2HG       ARG  57  10.264   0.540   0.235
  469   2HG   ARG  57          1HG       ARG  57   9.997  -0.663   1.497
  470   1HD   ARG  57          2HD       ARG  57  12.523   0.947   1.150
  471   2HD   ARG  57          1HD       ARG  57  11.232   1.335   2.284
  472    HE   ARG  57           HE       ARG  57  12.203  -1.325   2.652
  473   1HH1  ARG  57          1HH1      ARG  57  12.920   2.042   3.316
  474   2HH1  ARG  57          2HH1      ARG  57  13.862   1.694   4.728
  475   1HH2  ARG  57          1HH2      ARG  57  13.466  -1.780   4.521
  476   2HH2  ARG  57          2HH2      ARG  57  14.153  -0.463   5.425
  477    H    ASP  58           H        ASP  58  12.560  -0.588  -3.334
  478    HA   ASP  58           HA       ASP  58  12.941  -1.922  -5.116
  479   1HB   ASP  58          2HB       ASP  58  15.275  -1.726  -3.906
  480   2HB   ASP  58          1HB       ASP  58  15.022  -3.442  -3.595
  481    H    LEU  59           H        LEU  59  10.795  -2.801  -4.540
  482    HA   LEU  59           HA       LEU  59  10.934  -5.693  -4.105
  483   1HB   LEU  59          2HB       LEU  59  10.262  -3.970  -2.064
  484   2HB   LEU  59          1HB       LEU  59   8.699  -4.392  -2.724
  485    HG   LEU  59           HG       LEU  59  10.745  -6.298  -1.598
  486   1HD1  LEU  59          1HD1      LEU  59   9.017  -6.703   0.099
  487   2HD1  LEU  59          2HD1      LEU  59   8.000  -5.471  -0.654
  488   3HD1  LEU  59          3HD1      LEU  59   9.536  -5.017   0.082
  489   1HD2  LEU  59          1HD2      LEU  59   8.045  -6.865  -2.815
  490   2HD2  LEU  59          2HD2      LEU  59   9.053  -8.037  -1.965
  491   3HD2  LEU  59          3HD2      LEU  59   9.612  -7.330  -3.481
  492    H    ALA  60           H        ALA  60   9.834  -6.631  -5.699
  493    HA   ALA  60           HA       ALA  60   7.370  -5.340  -6.682
  494   1HB   ALA  60          1HB       ALA  60   7.690  -6.584  -8.773
  495   2HB   ALA  60          2HB       ALA  60   9.191  -7.259  -8.141
  496   3HB   ALA  60          3HB       ALA  60   9.062  -5.526  -8.439
  497    H    PHE  61           H        PHE  61   5.792  -6.268  -5.490
  498    HA   PHE  61           HA       PHE  61   5.805  -9.187  -5.192
  499   1HB   PHE  61          2HB       PHE  61   6.864  -8.535  -3.210
  500   2HB   PHE  61          1HB       PHE  61   5.836  -7.127  -3.012
  501    HD1  PHE  61           HD2      PHE  61   5.831 -10.832  -2.890
  502    HD2  PHE  61           HD1      PHE  61   3.957  -7.215  -1.662
  503    HE1  PHE  61           HE2      PHE  61   4.416 -12.096  -1.327
  504    HE2  PHE  61           HE1      PHE  61   2.543  -8.472  -0.091
  505    HZ   PHE  61           HZ       PHE  61   2.773 -10.918   0.078
  506    H    ARG  62           H        ARG  62   3.882 -10.075  -5.403
  507    HA   ARG  62           HA       ARG  62   1.535  -8.322  -5.517
  508   1HB   ARG  62          2HB       ARG  62   1.970  -9.773  -7.489
  509   2HB   ARG  62          1HB       ARG  62   1.796 -11.189  -6.459
  510   1HG   ARG  62          2HG       ARG  62  -0.513 -10.641  -6.023
  511   2HG   ARG  62          1HG       ARG  62  -0.361  -9.138  -6.930
  512   1HD   ARG  62          2HD       ARG  62  -1.441 -10.731  -8.335
  513   2HD   ARG  62          1HD       ARG  62   0.192 -10.492  -8.947
  514    HE   ARG  62           HE       ARG  62  -0.211 -12.754  -7.153
  515   1HH1  ARG  62          1HH1      ARG  62   0.101 -11.583 -10.439
  516   2HH1  ARG  62          2HH1      ARG  62   0.395 -13.160 -11.116
  517   1HH2  ARG  62          1HH2      ARG  62   0.205 -14.837  -8.030
  518   2HH2  ARG  62          2HH2      ARG  62   0.446 -15.001  -9.743
  519    H    GLY  63           H        GLY  63   0.579  -8.126  -3.613
  520   1HA   GLY  63          2HA       GLY  63   0.640 -10.415  -1.768
  521   2HA   GLY  63          1HA       GLY  63   0.389  -8.736  -1.308
  522    H    GLU  64           H        GLU  64  -1.203 -11.058  -0.643
  523    HA   GLU  64           HA       GLU  64  -3.705 -10.456  -2.046
  524   1HB   GLU  64          2HB       GLU  64  -4.558 -12.523  -0.986
  525   2HB   GLU  64          1HB       GLU  64  -3.146 -12.814  -1.989
  526   1HG   GLU  64          2HG       GLU  64  -1.744 -12.855   0.028
  527   2HG   GLU  64          1HG       GLU  64  -3.184 -12.625   1.016
  528    H    MET  65           H        MET  65  -5.524  -9.762  -0.916
  529    HA   MET  65           HA       MET  65  -4.866  -8.433   1.587
  530   1HB   MET  65          2HB       MET  65  -6.331  -7.589  -0.525
  531   2HB   MET  65          1HB       MET  65  -7.610  -8.221   0.505
  532   1HG   MET  65          2HG       MET  65  -6.676  -6.810   2.359
  533   2HG   MET  65          1HG       MET  65  -5.623  -6.079   1.160
  534   1HE   MET  65          1HE       MET  65  -8.262  -3.286   1.873
  535   2HE   MET  65          2HE       MET  65  -6.546  -3.694   1.839
  536   3HE   MET  65          3HE       MET  65  -7.609  -4.450   3.025
  537    H    THR  66           H        THR  66  -5.140  -9.496   3.427
  538    HA   THR  66           HA       THR  66  -7.030 -11.679   3.632
  539    HB   THR  66           HB       THR  66  -6.159 -11.911   5.939
  540    HG1  THR  66           HG1      THR  66  -4.044 -10.210   5.673
  541   1HG2  THR  66          1HG2      THR  66  -5.022 -13.052   4.081
  542   2HG2  THR  66          2HG2      THR  66  -3.886 -12.579   5.343
  543   3HG2  THR  66          3HG2      THR  66  -3.990 -11.639   3.855
  544    H    ASN  67           H        ASN  67  -7.016  -8.364   4.052
  545    HA   ASN  67           HA       ASN  67  -8.785  -8.092   6.258
  546   1HB   ASN  67          2HB       ASN  67  -7.330  -6.257   5.607
  547   2HB   ASN  67          1HB       ASN  67  -8.076  -6.188   4.015
  548   1HD2  ASN  67          1HD2      ASN  67  -8.802  -4.127   4.145
  549   2HD2  ASN  67          2HD2      ASN  67 -10.024  -3.605   5.245
  550    H    TYR  68           H        TYR  68 -10.767  -8.950   6.175
  551    HA   TYR  68           HA       TYR  68 -12.301  -8.989   3.731
  552   1HB   TYR  68          2HB       TYR  68 -12.954  -9.843   6.555
  553   2HB   TYR  68          1HB       TYR  68 -14.086  -9.984   5.214
  554    HD1  TYR  68           HD1      TYR  68 -13.404 -11.405   3.223
  555    HD2  TYR  68           HD2      TYR  68 -11.340 -11.517   6.940
  556    HE1  TYR  68           HE1      TYR  68 -12.430 -13.575   2.607
  557    HE2  TYR  68           HE2      TYR  68 -10.357 -13.692   6.336
  558    HH   TYR  68           HH       TYR  68 -10.842 -15.587   4.848
  559    H    SER  69           H        SER  69 -11.611  -6.675   5.939
  560    HA   SER  69           HA       SER  69 -12.341  -4.574   6.273
  561   1HB   SER  69          2HB       SER  69 -12.658  -4.533   3.832
  562   2HB   SER  69          1HB       SER  69 -14.296  -5.147   4.039
  563    HG   SER  69           HG       SER  69 -13.808  -2.931   5.563
  564    H    THR  70           H        THR  70 -13.046  -5.276   8.342
  565    HA   THR  70           HA       THR  70 -15.972  -5.296   8.630
  566    HB   THR  70           HB       THR  70 -13.935  -5.631  10.840
  567    HG1  THR  70           HG1      THR  70 -14.303  -7.268   8.820
  568   1HG2  THR  70          1HG2      THR  70 -16.824  -6.490  10.608
  569   2HG2  THR  70          2HG2      THR  70 -16.250  -5.089  11.510
  570   3HG2  THR  70          3HG2      THR  70 -15.781  -6.711  12.015
  571    H    SER  71           H        SER  71 -13.129  -3.401   9.022
  572    HA   SER  71           HA       SER  71 -14.463  -1.331  10.543
  573   1HB   SER  71          2HB       SER  71 -12.064  -1.836  10.943
  574   2HB   SER  71          1HB       SER  71 -11.702  -1.344   9.291
  575    HG   SER  71           HG       SER  71 -11.541   0.593  10.070
  576    H    LEU  72           H        LEU  72 -14.651   0.847   9.728
  577    HA   LEU  72           HA       LEU  72 -15.454   0.874   6.930
  578   1HB   LEU  72          2HB       LEU  72 -15.855   2.869   9.167
  579   2HB   LEU  72          1HB       LEU  72 -16.380   3.141   7.517
  580    HG   LEU  72           HG       LEU  72 -17.744   0.965   7.808
  581   1HD1  LEU  72          1HD1      LEU  72 -17.300   1.670  10.705
  582   2HD1  LEU  72          2HD1      LEU  72 -16.671   0.240   9.887
  583   3HD1  LEU  72          3HD1      LEU  72 -18.411   0.448  10.083
  584   1HD2  LEU  72          1HD2      LEU  72 -19.596   2.218   8.820
  585   2HD2  LEU  72          2HD2      LEU  72 -18.745   3.162   7.597
  586   3HD2  LEU  72          3HD2      LEU  72 -18.463   3.478   9.309
  587    H    THR  73           H        THR  73 -15.098   3.790   6.715
  588    HA   THR  73           HA       THR  73 -12.415   3.739   5.696
  589    HB   THR  73           HB       THR  73 -14.213   6.160   5.843
  590    HG1  THR  73           HG1      THR  73 -14.336   3.866   4.224
  591   1HG2  THR  73          1HG2      THR  73 -12.069   5.342   3.868
  592   2HG2  THR  73          2HG2      THR  73 -11.886   6.557   5.130
  593   3HG2  THR  73          3HG2      THR  73 -13.018   6.826   3.806
  594    H    ASN  74           H        ASN  74 -11.735   3.274   8.044
  595    HA   ASN  74           HA       ASN  74 -10.271   5.594   8.853
  596   1HB   ASN  74          2HB       ASN  74 -12.341   5.971  10.147
  597   2HB   ASN  74          1HB       ASN  74 -12.187   4.364  10.856
  598   1HD2  ASN  74          1HD2      ASN  74 -10.856   7.577  10.719
  599   2HD2  ASN  74          2HD2      ASN  74  -9.866   7.446  12.135
  600    H    LEU  75           H        LEU  75  -8.296   4.932   9.446
  601    HA   LEU  75           HA       LEU  75  -8.008   2.208  10.509
  602   1HB   LEU  75          2HB       LEU  75  -7.362   2.114   8.195
  603   2HB   LEU  75          1HB       LEU  75  -6.317   3.501   8.397
  604    HG   LEU  75           HG       LEU  75  -4.773   2.235   9.742
  605   1HD1  LEU  75          1HD1      LEU  75  -5.096  -0.139  10.205
  606   2HD1  LEU  75          2HD1      LEU  75  -6.694  -0.073   9.462
  607   3HD1  LEU  75          3HD1      LEU  75  -6.371   0.834  10.941
  608   1HD2  LEU  75          1HD2      LEU  75  -4.497   2.078   7.331
  609   2HD2  LEU  75          2HD2      LEU  75  -5.596   0.700   7.276
  610   3HD2  LEU  75          3HD2      LEU  75  -4.044   0.558   8.102
  611    H    TYR  76           H        TYR  76  -7.618   2.715  12.524
  612    HA   TYR  76           HA       TYR  76  -6.216   2.847  14.248
  613   1HB   TYR  76          2HB       TYR  76  -4.411   2.223  12.629
  614   2HB   TYR  76          1HB       TYR  76  -4.092   3.939  12.417
  615    HD1  TYR  76           HD1      TYR  76  -4.432   1.448  15.181
  616    HD2  TYR  76           HD2      TYR  76  -2.396   4.866  13.679
  617    HE1  TYR  76           HE1      TYR  76  -2.911   1.380  17.110
  618    HE2  TYR  76           HE2      TYR  76  -0.868   4.810  15.607
  619    HH   TYR  76           HH       TYR  76  -0.695   2.129  17.729
  620    H    GLU  77           H        GLU  77  -5.559   5.625  12.164
  621    HA   GLU  77           HA       GLU  77  -5.586   7.417  14.465
  622   1HB   GLU  77          2HB       GLU  77  -3.892   7.534  12.554
  623   2HB   GLU  77          1HB       GLU  77  -5.201   8.146  11.557
  624   1HG   GLU  77          2HG       GLU  77  -3.896   9.984  12.346
  625   2HG   GLU  77          1HG       GLU  77  -5.472  10.027  13.137
  626    HA   PRO  78           HA       PRO  78  -9.808   8.411  13.318
  627   1HB   PRO  78          2HB       PRO  78 -10.474   9.431  15.763
  628   2HB   PRO  78          1HB       PRO  78 -10.406   7.705  15.402
  629   1HG   PRO  78          2HG       PRO  78  -8.676   9.258  17.123
  630   2HG   PRO  78          1HG       PRO  78  -8.704   7.506  16.875
  631   1HD   PRO  78          2HD       PRO  78  -6.931   9.534  15.684
  632   2HD   PRO  78          1HD       PRO  78  -6.708   7.776  15.815
  633    H    GLY  79           H        GLY  79  -9.206  10.124  11.822
  634   1HA   GLY  79          2HA       GLY  79  -9.066  12.811  13.007
  635   2HA   GLY  79          1HA       GLY  79  -8.733  12.397  11.331
  636    H    ALA  80           H        ALA  80 -10.115  14.149  10.713
  637    HA   ALA  80           HA       ALA  80 -12.993  13.658  11.119
  638   1HB   ALA  80          1HB       ALA  80 -12.186  15.891  11.754
  639   2HB   ALA  80          2HB       ALA  80 -13.333  15.968  10.417
  640   3HB   ALA  80          3HB       ALA  80 -11.604  16.143  10.109
  641    H    VAL  81           H        VAL  81 -10.462  13.960   8.756
  642    HA   VAL  81           HA       VAL  81 -12.082  13.721   6.418
  643    HB   VAL  81           HB       VAL  81  -9.773  14.587   6.372
  644   1HG1  VAL  81          1HG1      VAL  81  -8.779  13.172   8.072
  645   2HG1  VAL  81          2HG1      VAL  81  -7.863  13.065   6.566
  646   3HG1  VAL  81          3HG1      VAL  81  -8.958  11.762   7.027
  647   1HG2  VAL  81          1HG2      VAL  81 -10.117  12.074   4.748
  648   2HG2  VAL  81          2HG2      VAL  81  -8.973  13.372   4.410
  649   3HG2  VAL  81          3HG2      VAL  81 -10.707  13.679   4.321
  650    H    SER  82           H        SER  82 -12.294  11.749   5.087
  651    HA   SER  82           HA       SER  82 -12.625   9.373   6.666
  652   1HB   SER  82          2HB       SER  82 -12.761   9.585   3.647
  653   2HB   SER  82          1HB       SER  82 -13.514   8.372   4.679
  654    HG   SER  82           HG       SER  82 -14.628  10.331   5.638
  655    H    GLU  83           H        GLU  83 -11.124   7.840   6.992
  656    HA   GLU  83           HA       GLU  83  -8.617   8.122   5.480
  657   1HB   GLU  83          2HB       GLU  83  -9.072   7.333   8.362
  658   2HB   GLU  83          1HB       GLU  83  -7.505   7.341   7.564
  659   1HG   GLU  83          2HG       GLU  83  -7.506   9.675   7.328
  660   2HG   GLU  83          1HG       GLU  83  -9.226   9.793   7.684
  661    H    PHE  84           H        PHE  84  -8.737   6.569   3.962
  662    HA   PHE  84           HA       PHE  84 -10.277   4.238   4.187
  663   1HB   PHE  84          2HB       PHE  84  -8.740   5.505   2.167
  664   2HB   PHE  84          1HB       PHE  84  -8.241   3.818   2.235
  665    HD1  PHE  84           HD2      PHE  84 -11.348   5.865   2.238
  666    HD2  PHE  84           HD1      PHE  84  -9.425   2.285   0.988
  667    HE1  PHE  84           HE2      PHE  84 -13.354   5.249   0.977
  668    HE2  PHE  84           HE1      PHE  84 -11.437   1.649  -0.284
  669    HZ   PHE  84           HZ       PHE  84 -13.408   3.130  -0.286
  670    H    TYR  85           H        TYR  85  -9.913   2.248   4.782
  671    HA   TYR  85           HA       TYR  85  -7.370   1.639   6.088
  672   1HB   TYR  85          2HB       TYR  85  -9.122   1.424   7.625
  673   2HB   TYR  85          1HB       TYR  85 -10.207   0.718   6.441
  674    HD1  TYR  85           HD1      TYR  85  -6.745  -0.368   7.356
  675    HD2  TYR  85           HD2      TYR  85 -10.908  -1.234   7.432
  676    HE1  TYR  85           HE1      TYR  85  -6.257  -2.610   8.247
  677    HE2  TYR  85           HE2      TYR  85 -10.437  -3.471   8.324
  678    HH   TYR  85           HH       TYR  85  -7.348  -4.375   9.496
  679    H    ILE  86           H        ILE  86  -6.072   0.885   4.466
  680    HA   ILE  86           HA       ILE  86  -7.034  -1.536   3.060
  681    HB   ILE  86           HB       ILE  86  -4.862   0.341   2.124
  682   1HG1  ILE  86          2HG1      ILE  86  -7.086   1.434   2.042
  683   2HG1  ILE  86          1HG1      ILE  86  -6.445   1.125   0.431
  684   1HG2  ILE  86          1HG2      ILE  86  -6.242  -1.981   0.787
  685   2HG2  ILE  86          2HG2      ILE  86  -4.580  -1.943   1.378
  686   3HG2  ILE  86          3HG2      ILE  86  -5.060  -0.918   0.024
  687   1HD1  ILE  86          1HD1      ILE  86  -8.541  -0.496   1.856
  688   2HD1  ILE  86          2HD1      ILE  86  -7.882  -0.846   0.260
  689   3HD1  ILE  86          3HD1      ILE  86  -8.807   0.631   0.525
  690    H    GLU  87           H        GLU  87  -6.275  -3.134   4.419
  691    HA   GLU  87           HA       GLU  87  -3.432  -3.062   5.147
  692   1HB   GLU  87          2HB       GLU  87  -4.995  -3.241   7.039
  693   2HB   GLU  87          1HB       GLU  87  -5.675  -4.704   6.343
  694   1HG   GLU  87          2HG       GLU  87  -3.681  -5.918   6.715
  695   2HG   GLU  87          1HG       GLU  87  -2.781  -4.455   7.109
  696    H    ILE  88           H        ILE  88  -2.147  -4.206   3.914
  697    HA   ILE  88           HA       ILE  88  -3.207  -6.538   2.459
  698    HB   ILE  88           HB       ILE  88  -0.602  -5.120   1.896
  699   1HG1  ILE  88          2HG1      ILE  88  -2.407  -3.470   1.744
  700   2HG1  ILE  88          1HG1      ILE  88  -1.767  -3.844   0.147
  701   1HG2  ILE  88          1HG2      ILE  88  -2.372  -6.891   0.214
  702   2HG2  ILE  88          2HG2      ILE  88  -0.816  -7.329   0.921
  703   3HG2  ILE  88          3HG2      ILE  88  -0.897  -6.103  -0.346
  704   1HD1  ILE  88          1HD1      ILE  88  -4.329  -4.849   1.352
  705   2HD1  ILE  88          2HD1      ILE  88  -3.692  -5.336  -0.219
  706   3HD1  ILE  88          3HD1      ILE  88  -4.157  -3.659   0.063
  707    H    THR  89           H        THR  89  -1.978  -8.476   2.424
  708    HA   THR  89           HA       THR  89   0.049  -8.679   4.550
  709    HB   THR  89           HB       THR  89  -1.984 -10.828   3.913
  710    HG1  THR  89           HG1      THR  89  -2.152  -8.571   5.511
  711   1HG2  THR  89          1HG2      THR  89  -0.083 -10.450   6.235
  712   2HG2  THR  89          2HG2      THR  89   0.070 -11.647   4.950
  713   3HG2  THR  89          3HG2      THR  89  -1.273 -11.743   6.089
  714    H    GLU  90           H        GLU  90   1.767 -10.049   4.134
  715    HA   GLU  90           HA       GLU  90   2.579 -10.603   1.536
  716   1HB   GLU  90          2HB       GLU  90   4.025 -10.550   3.588
  717   2HB   GLU  90          1HB       GLU  90   3.370 -12.118   4.034
  718   1HG   GLU  90          2HG       GLU  90   4.363 -13.146   2.113
  719   2HG   GLU  90          1HG       GLU  90   4.871 -11.580   1.481
  720    H    ILE  91           H        ILE  91   2.076 -12.141   0.124
  721    HA   ILE  91           HA       ILE  91  -0.206 -13.721   0.501
  722    HB   ILE  91           HB       ILE  91   0.367 -12.993  -1.714
  723   1HG1  ILE  91          2HG1      ILE  91   0.606 -15.990  -1.411
  724   2HG1  ILE  91          1HG1      ILE  91  -0.878 -15.068  -1.615
  725   1HG2  ILE  91          1HG2      ILE  91   2.787 -12.909  -1.495
  726   2HG2  ILE  91          2HG2      ILE  91   2.330 -13.843  -2.921
  727   3HG2  ILE  91          3HG2      ILE  91   2.862 -14.669  -1.456
  728   1HD1  ILE  91          1HD1      ILE  91  -0.269 -16.180  -3.668
  729   2HD1  ILE  91          2HD1      ILE  91   1.312 -15.398  -3.647
  730   3HD1  ILE  91          3HD1      ILE  91  -0.146 -14.430  -3.865
  731    H    ASP  92           H        ASP  92  -0.519 -15.729   1.208
  732    HA   ASP  92           HA       ASP  92   1.859 -17.375   1.750
  733   1HB   ASP  92          2HB       ASP  92  -0.929 -17.622   2.883
  734   2HB   ASP  92          1HB       ASP  92   0.394 -18.719   3.226
  735    H    LYS  93           H        LYS  93   1.679 -19.643   1.342
  736    HA   LYS  93           HA       LYS  93  -0.054 -20.226  -0.943
  737   1HB   LYS  93          2HB       LYS  93   1.606 -21.984  -1.516
  738   2HB   LYS  93          1HB       LYS  93   2.255 -20.357  -1.570
  739   1HG   LYS  93          2HG       LYS  93   3.116 -20.821   0.796
  740   2HG   LYS  93          1HG       LYS  93   2.773 -22.518   0.440
  741   1HD   LYS  93          2HD       LYS  93   4.213 -22.365  -1.555
  742   2HD   LYS  93          1HD       LYS  93   4.584 -20.691  -1.147
  743   1HE   LYS  93          2HE       LYS  93   6.409 -21.870  -0.319
  744   2HE   LYS  93          1HE       LYS  93   5.393 -21.640   1.103
  745   1HZ   LYS  93          1HZ       LYS  93   5.509 -24.105  -0.557
  746   2HZ   LYS  93          2HZ       LYS  93   4.556 -23.888   0.831
  747   3HZ   LYS  93          3HZ       LYS  93   6.247 -23.897   0.956
  748    H    ASN  94           H        ASN  94   0.257 -20.611   2.145
  749    HA   ASN  94           HA       ASN  94  -0.712 -21.802   3.796
  750   1HB   ASN  94          2HB       ASN  94  -2.702 -21.676   2.310
  751   2HB   ASN  94          1HB       ASN  94  -2.212 -23.203   1.590
  752   1HD2  ASN  94          1HD2      ASN  94  -3.421 -21.626   4.432
  753   2HD2  ASN  94          2HD2      ASN  94  -3.980 -23.058   5.246
  754    H    ALA  95           H        ALA  95  -0.299 -24.019   1.088
  755    HA   ALA  95           HA       ALA  95   1.541 -25.629   2.739
  756   1HB   ALA  95          1HB       ALA  95  -0.531 -26.872   2.241
  757   2HB   ALA  95          2HB       ALA  95   0.871 -27.596   1.450
  758   3HB   ALA  95          3HB       ALA  95  -0.259 -26.615   0.516
  759    H    ASP  96           H        ASP  96   0.629 -25.316  -0.674
  760    HA   ASP  96           HA       ASP  96   2.963 -23.838  -1.353
  761   1HB   ASP  96          2HB       ASP  96   3.605 -26.417  -1.243
  762   2HB   ASP  96          1HB       ASP  96   2.862 -26.429  -2.838
  763    H    SER  97           H        SER  97   3.006 -24.281  -4.073
  764    HA   SER  97           HA       SER  97   0.351 -24.256  -5.145
  765   1HB   SER  97          2HB       SER  97   0.582 -21.983  -3.977
  766   2HB   SER  97          1HB       SER  97   1.784 -21.593  -5.206
  767    HG   SER  97           HG       SER  97   0.256 -21.498  -6.708
  768    H    LEU  98           H        LEU  98   2.318 -25.836  -5.859
  769    HA   LEU  98           HA       LEU  98   3.890 -24.702  -8.001
  770   1HB   LEU  98          2HB       LEU  98   4.724 -26.502  -6.470
  771   2HB   LEU  98          1HB       LEU  98   3.578 -27.599  -7.218
  772    HG   LEU  98           HG       LEU  98   4.714 -27.283  -9.390
  773   1HD1  LEU  98          1HD1      LEU  98   6.867 -26.151  -9.478
  774   2HD1  LEU  98          2HD1      LEU  98   6.712 -25.694  -7.781
  775   3HD1  LEU  98          3HD1      LEU  98   5.597 -25.033  -8.979
  776   1HD2  LEU  98          1HD2      LEU  98   5.333 -29.152  -7.954
  777   2HD2  LEU  98          2HD2      LEU  98   6.522 -28.140  -7.133
  778   3HD2  LEU  98          3HD2      LEU  98   6.737 -28.548  -8.836
  779    H    GLU  99           H        GLU  99   1.887 -23.963  -9.059
  780    HA   GLU  99           HA       GLU  99   0.025 -25.749 -10.194
  781   1HB   GLU  99          2HB       GLU  99   0.799 -22.950 -11.041
  782   2HB   GLU  99          1HB       GLU  99  -0.612 -23.822 -11.618
  783   1HG   GLU  99          2HG       GLU  99  -0.139 -23.165  -8.723
  784   2HG   GLU  99          1HG       GLU  99  -1.043 -22.130  -9.828
  785    H    HIS 100           H        HIS 100   0.519 -27.266 -11.612
  786    HA   HIS 100           HA       HIS 100   2.298 -26.527 -13.839
  787   1HB   HIS 100          2HB       HIS 100   2.695 -29.037 -14.084
  788   2HB   HIS 100          1HB       HIS 100   3.467 -28.233 -12.728
  789    HD1  HIS 100           HD1      HIS 100   2.124 -28.563 -10.354
  790    HD2  HIS 100           HD2      HIS 100   1.327 -31.270 -13.411
  791    HE1  HIS 100           HE1      HIS 100   1.146 -30.586  -9.230
  792    HE2  HIS 100           HE2      HIS 100   0.948 -32.301 -11.067
  793    H    HIS 101           H        HIS 101  -0.691 -26.496 -13.197
  794    HA   HIS 101           HA       HIS 101  -1.441 -27.316 -15.927
  795   1HB   HIS 101          2HB       HIS 101  -2.665 -28.574 -14.104
  796   2HB   HIS 101          1HB       HIS 101  -3.316 -27.038 -13.554
  797    HD1  HIS 101           HD1      HIS 101  -3.580 -29.538 -16.341
  798    HD2  HIS 101           HD2      HIS 101  -5.441 -26.042 -15.057
  799    HE1  HIS 101           HE1      HIS 101  -5.697 -29.360 -17.686
  800    HE2  HIS 101           HE2      HIS 101  -6.920 -27.387 -16.700
  801    H    HIS 102           H        HIS 102  -1.778 -25.570 -17.200
  802    HA   HIS 102           HA       HIS 102  -1.145 -23.035 -16.011
  803   1HB   HIS 102          2HB       HIS 102  -0.208 -23.829 -18.174
  804   2HB   HIS 102          1HB       HIS 102  -1.802 -23.660 -18.896
  805    HD1  HIS 102           HD1      HIS 102   0.863 -21.495 -17.252
  806    HD2  HIS 102           HD2      HIS 102  -2.308 -21.199 -19.929
  807    HE1  HIS 102           HE1      HIS 102   0.923 -19.134 -18.121
  808    HE2  HIS 102           HE2      HIS 102  -0.992 -18.983 -19.758
  809    H    HIS 103           H        HIS 103  -3.985 -24.501 -16.052
  810    HA   HIS 103           HA       HIS 103  -6.149 -23.865 -15.778
  811   1HB   HIS 103          2HB       HIS 103  -5.232 -20.981 -15.869
  812   2HB   HIS 103          1HB       HIS 103  -6.693 -21.618 -15.131
  813    HD1  HIS 103           HD1      HIS 103  -3.564 -20.318 -14.200
  814    HD2  HIS 103           HD2      HIS 103  -5.804 -23.581 -12.902
  815    HE1  HIS 103           HE1      HIS 103  -2.692 -20.878 -11.907
  816    HE2  HIS 103           HE2      HIS 103  -3.952 -22.940 -11.199
  817    H    HIS 104           H        HIS 104  -7.879 -22.269 -16.925
  818    HA   HIS 104           HA       HIS 104  -7.126 -21.570 -19.628
  819   1HB   HIS 104          2HB       HIS 104  -7.465 -24.073 -19.674
  820   2HB   HIS 104          1HB       HIS 104  -9.156 -23.781 -19.280
  821    HD1  HIS 104           HD1      HIS 104 -10.687 -22.940 -21.182
  822    HD2  HIS 104           HD2      HIS 104  -6.691 -23.312 -22.274
  823    HE1  HIS 104           HE1      HIS 104 -10.641 -22.706 -23.681
  824    HE2  HIS 104           HE2      HIS 104  -8.205 -22.802 -24.311
  825    H    HIS 105           H        HIS 105  -9.212 -21.417 -16.973
  826    HA   HIS 105           HA       HIS 105 -11.128 -20.324 -16.480
  827   1HB   HIS 105          2HB       HIS 105 -10.260 -18.783 -18.907
  828   2HB   HIS 105          1HB       HIS 105 -11.829 -18.466 -18.179
  829    HD1  HIS 105           HD1      HIS 105  -8.875 -16.834 -18.242
  830    HD2  HIS 105           HD2      HIS 105 -11.058 -18.385 -15.058
  831    HE1  HIS 105           HE1      HIS 105  -8.124 -15.549 -16.212
  832    HE2  HIS 105           HE2      HIS 105  -9.609 -16.367 -14.340
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  11.537   7.345   5.096
    2   2H    MET   1          2H        MET   1  12.145   6.655   3.673
    3   3H    MET   1          3H        MET   1  10.844   5.926   4.480
    4    HA   MET   1           HA       MET   1   9.437   7.796   4.013
    5   1HB   MET   1          2HB       MET   1  11.922   8.855   2.654
    6   2HB   MET   1          1HB       MET   1  10.317   9.490   2.332
    7   1HG   MET   1          2HG       MET   1  11.436  10.913   3.896
    8   2HG   MET   1          1HG       MET   1  10.109  10.091   4.713
    9   1HE   MET   1          1HE       MET   1  12.753  10.442   7.570
   10   2HE   MET   1          2HE       MET   1  11.080  10.722   7.091
   11   3HE   MET   1          3HE       MET   1  12.384  11.603   6.295
   12    H    VAL   2           H        VAL   2   8.044   7.423   2.367
   13    HA   VAL   2           HA       VAL   2   9.064   5.935   0.037
   14    HB   VAL   2           HB       VAL   2   6.457   5.324   1.460
   15   1HG1  VAL   2          1HG1      VAL   2   6.338   3.408  -0.075
   16   2HG1  VAL   2          2HG1      VAL   2   7.793   3.981  -0.890
   17   3HG1  VAL   2          3HG1      VAL   2   6.319   4.948  -0.935
   18   1HG2  VAL   2          1HG2      VAL   2   7.489   3.196   2.093
   19   2HG2  VAL   2          2HG2      VAL   2   8.375   4.562   2.770
   20   3HG2  VAL   2          3HG2      VAL   2   9.008   3.711   1.361
   21    H    LYS   3           H        LYS   3   8.876   7.444  -1.528
   22    HA   LYS   3           HA       LYS   3   6.467   9.102  -1.596
   23   1HB   LYS   3          2HB       LYS   3   8.616  10.255  -1.837
   24   2HB   LYS   3          1HB       LYS   3   8.994   9.273  -3.247
   25   1HG   LYS   3          2HG       LYS   3   7.079  10.222  -4.426
   26   2HG   LYS   3          1HG       LYS   3   6.702  11.209  -3.015
   27   1HD   LYS   3          2HD       LYS   3   8.913  12.293  -3.231
   28   2HD   LYS   3          1HD       LYS   3   9.196  11.358  -4.703
   29   1HE   LYS   3          2HE       LYS   3   8.389  13.657  -5.144
   30   2HE   LYS   3          1HE       LYS   3   7.319  12.411  -5.787
   31   1HZ   LYS   3          1HZ       LYS   3   5.818  12.735  -3.992
   32   2HZ   LYS   3          2HZ       LYS   3   6.168  14.270  -4.621
   33   3HZ   LYS   3          3HZ       LYS   3   6.893  13.758  -3.174
   34    H    THR   4           H        THR   4   8.386   7.051  -3.791
   35    HA   THR   4           HA       THR   4   6.123   6.995  -5.632
   36    HB   THR   4           HB       THR   4   8.829   5.717  -6.050
   37    HG1  THR   4           HG1      THR   4   9.338   7.841  -5.934
   38   1HG2  THR   4          1HG2      THR   4   7.052   4.916  -7.531
   39   2HG2  THR   4          2HG2      THR   4   8.220   5.891  -8.423
   40   3HG2  THR   4          3HG2      THR   4   6.660   6.577  -7.970
   41    H    LEU   5           H        LEU   5   4.831   5.730  -4.116
   42    HA   LEU   5           HA       LEU   5   5.402   2.849  -4.362
   43   1HB   LEU   5          2HB       LEU   5   4.863   3.619  -2.084
   44   2HB   LEU   5          1HB       LEU   5   3.359   4.308  -2.664
   45    HG   LEU   5           HG       LEU   5   2.573   2.032  -3.251
   46   1HD1  LEU   5          1HD1      LEU   5   4.741   0.974  -3.586
   47   2HD1  LEU   5          2HD1      LEU   5   3.776   0.091  -2.402
   48   3HD1  LEU   5          3HD1      LEU   5   5.093   1.133  -1.866
   49   1HD2  LEU   5          1HD2      LEU   5   2.175   1.289  -0.956
   50   2HD2  LEU   5          2HD2      LEU   5   1.964   3.034  -1.118
   51   3HD2  LEU   5          3HD2      LEU   5   3.430   2.389  -0.383
   52    H    ARG   6           H        ARG   6   4.127   1.638  -5.740
   53    HA   ARG   6           HA       ARG   6   1.893   3.075  -6.998
   54   1HB   ARG   6          2HB       ARG   6   4.259   3.004  -8.213
   55   2HB   ARG   6          1HB       ARG   6   3.679   1.426  -8.724
   56   1HG   ARG   6          2HG       ARG   6   1.770   2.409  -9.787
   57   2HG   ARG   6          1HG       ARG   6   2.182   4.001  -9.143
   58   1HD   ARG   6          2HD       ARG   6   4.379   3.777 -10.375
   59   2HD   ARG   6          1HD       ARG   6   3.673   2.384 -11.187
   60    HE   ARG   6           HE       ARG   6   1.841   4.133 -11.798
   61   1HH1  ARG   6          1HH1      ARG   6   5.294   4.655 -11.601
   62   2HH1  ARG   6          2HH1      ARG   6   5.309   5.925 -12.791
   63   1HH2  ARG   6          1HH2      ARG   6   1.844   5.768 -13.425
   64   2HH2  ARG   6          2HH2      ARG   6   3.350   6.538 -13.846
   65    H    LEU   7           H        LEU   7   0.142   1.908  -6.760
   66    HA   LEU   7           HA       LEU   7   0.307  -0.999  -6.571
   67   1HB   LEU   7          2HB       LEU   7  -2.047   0.873  -6.278
   68   2HB   LEU   7          1HB       LEU   7  -2.118  -0.866  -6.064
   69    HG   LEU   7           HG       LEU   7  -0.532   1.056  -4.352
   70   1HD1  LEU   7          1HD1      LEU   7  -2.153   0.503  -2.619
   71   2HD1  LEU   7          2HD1      LEU   7  -3.038  -0.513  -3.759
   72   3HD1  LEU   7          3HD1      LEU   7  -2.946   1.229  -4.018
   73   1HD2  LEU   7          1HD2      LEU   7   0.545  -1.144  -4.550
   74   2HD2  LEU   7          2HD2      LEU   7  -0.960  -1.921  -4.057
   75   3HD2  LEU   7          3HD2      LEU   7  -0.096  -0.874  -2.931
   76    H    ASN   8           H        ASN   8   0.418  -2.017  -8.437
   77    HA   ASN   8           HA       ASN   8  -0.043  -2.745 -10.530
   78   1HB   ASN   8          2HB       ASN   8  -2.434  -2.638  -9.796
   79   2HB   ASN   8          1HB       ASN   8  -2.514  -0.995 -10.418
   80   1HD2  ASN   8          1HD2      ASN   8  -3.996  -3.421 -11.173
   81   2HD2  ASN   8          2HD2      ASN   8  -3.724  -3.632 -12.869
   82    H    ASN   9           H        ASN   9  -1.356   0.551 -10.746
   83    HA   ASN   9           HA       ASN   9   0.937   1.375 -12.325
   84   1HB   ASN   9          2HB       ASN   9  -0.445   2.173 -14.205
   85   2HB   ASN   9          1HB       ASN   9  -0.537   0.425 -14.024
   86   1HD2  ASN   9          1HD2      ASN   9  -2.426  -0.507 -13.269
   87   2HD2  ASN   9          2HD2      ASN   9  -3.942   0.336 -13.293
   88    H    VAL  10           H        VAL  10  -1.470   2.034 -10.092
   89    HA   VAL  10           HA       VAL  10  -1.485   4.891 -10.632
   90    HB   VAL  10           HB       VAL  10  -3.190   5.004  -8.838
   91   1HG1  VAL  10          1HG1      VAL  10  -3.854   4.813 -11.177
   92   2HG1  VAL  10          2HG1      VAL  10  -5.002   3.990 -10.121
   93   3HG1  VAL  10          3HG1      VAL  10  -3.824   3.056 -11.044
   94   1HG2  VAL  10          1HG2      VAL  10  -4.253   2.931  -8.050
   95   2HG2  VAL  10          2HG2      VAL  10  -2.578   3.072  -7.517
   96   3HG2  VAL  10          3HG2      VAL  10  -2.988   2.000  -8.856
   97    H    THR  11           H        THR  11  -0.206   6.228  -9.567
   98    HA   THR  11           HA       THR  11   1.599   5.257  -7.597
   99    HB   THR  11           HB       THR  11   2.250   7.070  -9.120
  100    HG1  THR  11           HG1      THR  11   2.369   8.542  -6.812
  101   1HG2  THR  11          1HG2      THR  11   0.065   8.189  -9.276
  102   2HG2  THR  11          2HG2      THR  11   1.358   9.321  -8.878
  103   3HG2  THR  11          3HG2      THR  11   0.253   8.764  -7.622
  104    H    LEU  12           H        LEU  12   1.710   5.827  -5.384
  105    HA   LEU  12           HA       LEU  12  -0.856   6.712  -4.255
  106   1HB   LEU  12          2HB       LEU  12  -0.611   4.230  -4.250
  107   2HB   LEU  12          1HB       LEU  12   0.801   4.418  -3.232
  108    HG   LEU  12           HG       LEU  12  -0.606   5.446  -1.488
  109   1HD1  LEU  12          1HD1      LEU  12  -2.354   6.341  -2.953
  110   2HD1  LEU  12          2HD1      LEU  12  -3.027   5.342  -1.664
  111   3HD1  LEU  12          3HD1      LEU  12  -2.897   4.699  -3.303
  112   1HD2  LEU  12          1HD2      LEU  12  -1.487   2.731  -2.454
  113   2HD2  LEU  12          2HD2      LEU  12  -1.775   3.380  -0.838
  114   3HD2  LEU  12          3HD2      LEU  12  -0.126   3.080  -1.390
  115    H    GLU  13           H        GLU  13  -0.757   8.024  -2.584
  116    HA   GLU  13           HA       GLU  13   1.849   8.516  -1.308
  117   1HB   GLU  13          2HB       GLU  13  -0.388  10.438  -1.964
  118   2HB   GLU  13          1HB       GLU  13   0.916  10.838  -0.853
  119   1HG   GLU  13          2HG       GLU  13   2.543  10.687  -2.568
  120   2HG   GLU  13          1HG       GLU  13   1.393   9.954  -3.683
  121    H    MET  14           H        MET  14   1.905   8.458   0.905
  122    HA   MET  14           HA       MET  14  -0.600   7.621   2.190
  123   1HB   MET  14          2HB       MET  14   2.202   6.609   2.717
  124   2HB   MET  14          1HB       MET  14   0.801   6.205   3.693
  125   1HG   MET  14          2HG       MET  14   1.169   4.373   2.274
  126   2HG   MET  14          1HG       MET  14  -0.223   5.225   1.612
  127   1HE   MET  14          1HE       MET  14   4.019   5.615  -0.169
  128   2HE   MET  14          2HE       MET  14   3.665   4.642   1.260
  129   3HE   MET  14          3HE       MET  14   3.506   6.397   1.328
  130    H    ALA  15           H        ALA  15  -0.646   7.930   4.500
  131    HA   ALA  15           HA       ALA  15   1.027  10.171   5.416
  132   1HB   ALA  15          1HB       ALA  15  -0.901  10.910   6.752
  133   2HB   ALA  15          2HB       ALA  15  -1.871   9.621   6.039
  134   3HB   ALA  15          3HB       ALA  15  -1.242  10.919   5.021
  135    H    ALA  16           H        ALA  16  -1.036   7.488   6.495
  136    HA   ALA  16           HA       ALA  16   0.951   6.920   8.587
  137   1HB   ALA  16          1HB       ALA  16  -0.802   5.734   9.793
  138   2HB   ALA  16          2HB       ALA  16  -1.947   6.077   8.495
  139   3HB   ALA  16          3HB       ALA  16  -1.293   7.396   9.465
  140    H    TYR  17           H        TYR  17   2.296   5.827   7.116
  141    HA   TYR  17           HA       TYR  17   1.266   3.294   6.042
  142   1HB   TYR  17          2HB       TYR  17   2.396   4.749   4.419
  143   2HB   TYR  17          1HB       TYR  17   3.817   4.813   5.449
  144    HD1  TYR  17           HD2      TYR  17   1.717   2.419   3.499
  145    HD2  TYR  17           HD1      TYR  17   5.551   3.280   5.143
  146    HE1  TYR  17           HE2      TYR  17   2.662   0.485   2.308
  147    HE2  TYR  17           HE1      TYR  17   6.499   1.349   3.949
  148    HH   TYR  17           HH       TYR  17   5.780  -0.753   2.949
  149    H    GLN  18           H        GLN  18   1.403   1.782   7.636
  150    HA   GLN  18           HA       GLN  18   4.004   1.501   8.965
  151   1HB   GLN  18          2HB       GLN  18   2.800   0.218  10.680
  152   2HB   GLN  18          1HB       GLN  18   2.227   1.869  10.565
  153   1HG   GLN  18          2HG       GLN  18   0.307   1.068   9.249
  154   2HG   GLN  18          1HG       GLN  18   0.883  -0.585   9.458
  155   1HE2  GLN  18          1HE2      GLN  18   1.113   1.878  11.922
  156   2HE2  GLN  18          2HE2      GLN  18  -0.035   1.172  13.006
  157    H    GLU  19           H        GLU  19   5.008  -0.519   8.952
  158    HA   GLU  19           HA       GLU  19   3.822  -2.558   7.242
  159   1HB   GLU  19          2HB       GLU  19   4.884  -1.241   5.609
  160   2HB   GLU  19          1HB       GLU  19   6.307  -0.994   6.612
  161   1HG   GLU  19          2HG       GLU  19   6.634  -3.528   6.396
  162   2HG   GLU  19          1HG       GLU  19   5.487  -3.415   5.062
  163    H    GLU  20           H        GLU  20   4.355  -4.525   7.764
  164    HA   GLU  20           HA       GLU  20   6.588  -5.035   9.598
  165   1HB   GLU  20          2HB       GLU  20   4.372  -6.837   8.585
  166   2HB   GLU  20          1HB       GLU  20   5.675  -7.365   9.643
  167   1HG   GLU  20          2HG       GLU  20   4.942  -5.735  11.330
  168   2HG   GLU  20          1HG       GLU  20   3.603  -5.278  10.281
  169    H    SER  21           H        SER  21   8.450  -5.156   8.607
  170    HA   SER  21           HA       SER  21   8.580  -5.732   5.797
  171   1HB   SER  21          2HB       SER  21  10.915  -5.314   7.668
  172   2HB   SER  21          1HB       SER  21  10.842  -5.005   5.932
  173    HG   SER  21           HG       SER  21   9.395  -3.297   6.332
  174    H    GLU  22           H        GLU  22   9.123  -7.564   8.743
  175    HA   GLU  22           HA       GLU  22  10.081  -9.746   7.096
  176   1HB   GLU  22          2HB       GLU  22  11.854  -9.904   9.199
  177   2HB   GLU  22          1HB       GLU  22  12.200  -9.489   7.543
  178   1HG   GLU  22          2HG       GLU  22  11.405  -7.095   8.430
  179   2HG   GLU  22          1HG       GLU  22  12.005  -7.789   9.936
  180    HA   PRO  23           HA       PRO  23   8.373 -11.937  10.505
  181   1HB   PRO  23          2HB       PRO  23   5.732 -10.775  10.838
  182   2HB   PRO  23          1HB       PRO  23   6.905 -11.188  12.089
  183   1HG   PRO  23          2HG       PRO  23   6.213  -8.618  11.437
  184   2HG   PRO  23          1HG       PRO  23   7.773  -9.073  12.145
  185   1HD   PRO  23          2HD       PRO  23   7.086  -8.473   9.296
  186   2HD   PRO  23          1HD       PRO  23   8.554  -8.071  10.216
  187    H    LYS  24           H        LYS  24   6.638  -9.980   8.311
  188    HA   LYS  24           HA       LYS  24   6.318 -11.750   6.216
  189   1HB   LYS  24          2HB       LYS  24   4.627 -12.856   7.656
  190   2HB   LYS  24          1HB       LYS  24   3.792 -11.325   7.843
  191   1HG   LYS  24          2HG       LYS  24   3.391 -11.291   5.399
  192   2HG   LYS  24          1HG       LYS  24   4.122 -12.893   5.295
  193   1HD   LYS  24          2HD       LYS  24   2.400 -13.843   6.653
  194   2HD   LYS  24          1HD       LYS  24   1.750 -12.247   7.032
  195   1HE   LYS  24          2HE       LYS  24   0.359 -13.327   5.372
  196   2HE   LYS  24          1HE       LYS  24   1.177 -11.939   4.659
  197   1HZ   LYS  24          1HZ       LYS  24   1.753 -14.817   4.253
  198   2HZ   LYS  24          2HZ       LYS  24   2.874 -13.612   3.847
  199   3HZ   LYS  24          3HZ       LYS  24   1.359 -13.643   3.092
  200    H    ARG  25           H        ARG  25   5.671 -10.494   4.433
  201    HA   ARG  25           HA       ARG  25   5.834  -7.682   4.878
  202   1HB   ARG  25          2HB       ARG  25   5.384  -9.368   2.448
  203   2HB   ARG  25          1HB       ARG  25   5.151  -7.627   2.364
  204   1HG   ARG  25          2HG       ARG  25   7.684  -8.964   3.290
  205   2HG   ARG  25          1HG       ARG  25   7.399  -8.379   1.652
  206   1HD   ARG  25          2HD       ARG  25   7.080  -6.116   2.503
  207   2HD   ARG  25          1HD       ARG  25   7.341  -6.693   4.149
  208    HE   ARG  25           HE       ARG  25   9.594  -7.470   2.874
  209   1HH1  ARG  25          1HH1      ARG  25   7.922  -4.402   3.075
  210   2HH1  ARG  25          2HH1      ARG  25   9.366  -3.457   3.011
  211   1HH2  ARG  25          1HH2      ARG  25  11.510  -6.232   2.749
  212   2HH2  ARG  25          2HH2      ARG  25  11.422  -4.503   2.810
  213    H    LYS  26           H        LYS  26   4.208  -7.145   6.234
  214    HA   LYS  26           HA       LYS  26   1.510  -7.113   5.052
  215   1HB   LYS  26          2HB       LYS  26   1.512  -8.374   7.122
  216   2HB   LYS  26          1HB       LYS  26   2.374  -7.098   7.952
  217   1HG   LYS  26          2HG       LYS  26  -0.106  -6.170   6.794
  218   2HG   LYS  26          1HG       LYS  26  -0.346  -7.512   7.916
  219   1HD   LYS  26          2HD       LYS  26   1.093  -6.288   9.552
  220   2HD   LYS  26          1HD       LYS  26   1.077  -4.911   8.449
  221   1HE   LYS  26          2HE       LYS  26  -0.559  -4.683  10.222
  222   2HE   LYS  26          1HE       LYS  26  -1.335  -4.760   8.648
  223   1HZ   LYS  26          1HZ       LYS  26  -1.005  -7.230  10.204
  224   2HZ   LYS  26          2HZ       LYS  26  -2.227  -6.805   9.097
  225   3HZ   LYS  26          3HZ       LYS  26  -2.222  -6.140  10.656
  226    H    ILE  27           H        ILE  27   1.311  -5.217   4.074
  227    HA   ILE  27           HA       ILE  27   2.372  -2.830   5.404
  228    HB   ILE  27           HB       ILE  27   1.925  -1.677   3.223
  229   1HG1  ILE  27          2HG1      ILE  27   1.494  -4.497   2.213
  230   2HG1  ILE  27          1HG1      ILE  27   0.229  -3.282   2.386
  231   1HG2  ILE  27          1HG2      ILE  27   3.784  -4.043   3.219
  232   2HG2  ILE  27          2HG2      ILE  27   4.142  -2.415   3.793
  233   3HG2  ILE  27          3HG2      ILE  27   3.860  -2.703   2.076
  234   1HD1  ILE  27          1HD1      ILE  27   2.611  -3.136   0.547
  235   2HD1  ILE  27          2HD1      ILE  27   1.390  -1.878   0.741
  236   3HD1  ILE  27          3HD1      ILE  27   0.936  -3.450   0.085
  237    H    ALA  28           H        ALA  28   1.039  -1.644   6.537
  238    HA   ALA  28           HA       ALA  28  -1.834  -1.670   5.852
  239   1HB   ALA  28          1HB       ALA  28  -0.569  -1.330   8.577
  240   2HB   ALA  28          2HB       ALA  28  -1.404  -2.771   7.997
  241   3HB   ALA  28          3HB       ALA  28  -2.297  -1.268   8.225
  242    H    PHE  29           H        PHE  29  -2.375   0.221   4.953
  243    HA   PHE  29           HA       PHE  29  -1.046   2.626   5.986
  244   1HB   PHE  29          2HB       PHE  29  -1.156   3.588   3.691
  245   2HB   PHE  29          1HB       PHE  29  -0.090   2.198   3.822
  246    HD1  PHE  29           HD2      PHE  29  -0.643   0.099   2.752
  247    HD2  PHE  29           HD1      PHE  29  -3.193   3.486   2.400
  248    HE1  PHE  29           HE2      PHE  29  -1.805  -0.979   0.871
  249    HE2  PHE  29           HE1      PHE  29  -4.357   2.418   0.515
  250    HZ   PHE  29           HZ       PHE  29  -3.666   0.184  -0.252
  251    H    THR  30           H        THR  30  -2.276   4.285   6.519
  252    HA   THR  30           HA       THR  30  -5.163   4.058   6.150
  253    HB   THR  30           HB       THR  30  -3.604   6.085   7.777
  254    HG1  THR  30           HG1      THR  30  -4.951   4.372   9.297
  255   1HG2  THR  30          1HG2      THR  30  -5.854   6.829   7.180
  256   2HG2  THR  30          2HG2      THR  30  -5.753   6.459   8.901
  257   3HG2  THR  30          3HG2      THR  30  -6.524   5.320   7.798
  258    H    LEU  31           H        LEU  31  -5.755   4.781   4.198
  259    HA   LEU  31           HA       LEU  31  -4.510   7.184   3.075
  260   1HB   LEU  31          2HB       LEU  31  -5.012   4.946   1.822
  261   2HB   LEU  31          1HB       LEU  31  -6.656   5.540   1.757
  262    HG   LEU  31           HG       LEU  31  -4.255   6.936   0.560
  263   1HD1  LEU  31          1HD1      LEU  31  -4.796   4.863  -0.604
  264   2HD1  LEU  31          2HD1      LEU  31  -5.201   6.271  -1.586
  265   3HD1  LEU  31          3HD1      LEU  31  -6.476   5.380  -0.756
  266   1HD2  LEU  31          1HD2      LEU  31  -7.199   7.563   0.353
  267   2HD2  LEU  31          2HD2      LEU  31  -5.907   8.364  -0.542
  268   3HD2  LEU  31          3HD2      LEU  31  -5.988   8.515   1.213
  269    H    ASN  32           H        ASN  32  -5.402   9.023   3.831
  270    HA   ASN  32           HA       ASN  32  -8.119   9.108   4.718
  271   1HB   ASN  32          2HB       ASN  32  -7.657  11.516   5.133
  272   2HB   ASN  32          1HB       ASN  32  -6.517  10.441   5.921
  273   1HD2  ASN  32          1HD2      ASN  32  -6.321  13.268   5.165
  274   2HD2  ASN  32          2HD2      ASN  32  -4.909  13.391   4.169
  275    H    VAL  33           H        VAL  33  -9.509   8.768   3.087
  276    HA   VAL  33           HA       VAL  33  -9.363   9.858   0.516
  277    HB   VAL  33           HB       VAL  33 -11.694   8.806   2.088
  278   1HG1  VAL  33          1HG1      VAL  33 -11.682   9.711  -0.794
  279   2HG1  VAL  33          2HG1      VAL  33 -12.598  10.441   0.524
  280   3HG1  VAL  33          3HG1      VAL  33 -12.979   8.806  -0.016
  281   1HG2  VAL  33          1HG2      VAL  33 -10.166   7.739  -0.275
  282   2HG2  VAL  33          2HG2      VAL  33 -11.504   6.937   0.547
  283   3HG2  VAL  33          3HG2      VAL  33  -9.984   7.213   1.400
  284    H    THR  34           H        THR  34  -9.499  11.917  -0.063
  285    HA   THR  34           HA       THR  34 -11.386  13.651   1.378
  286    HB   THR  34           HB       THR  34  -9.923  15.561   0.644
  287    HG1  THR  34           HG1      THR  34  -7.701  13.951   0.403
  288   1HG2  THR  34          1HG2      THR  34  -8.657  13.514   2.470
  289   2HG2  THR  34          2HG2      THR  34  -9.826  14.748   2.939
  290   3HG2  THR  34          3HG2      THR  34  -8.218  15.220   2.389
  291    H    SER  35           H        SER  35 -12.349  15.351   0.007
  292    HA   SER  35           HA       SER  35 -13.422  14.214  -2.347
  293   1HB   SER  35          2HB       SER  35 -13.597  17.086  -1.420
  294   2HB   SER  35          1HB       SER  35 -14.691  16.270  -2.540
  295    HG   SER  35           HG       SER  35 -15.211  16.466  -0.124
  296    H    GLU  36           H        GLU  36 -10.423  15.355  -2.027
  297    HA   GLU  36           HA       GLU  36 -10.197  17.011  -4.358
  298   1HB   GLU  36          2HB       GLU  36  -7.978  15.545  -2.927
  299   2HB   GLU  36          1HB       GLU  36  -7.834  16.969  -3.947
  300   1HG   GLU  36          2HG       GLU  36  -9.077  16.803  -1.213
  301   2HG   GLU  36          1HG       GLU  36  -7.597  17.642  -1.675
  302    H    THR  37           H        THR  37 -10.119  13.620  -3.661
  303    HA   THR  37           HA       THR  37  -9.972  12.962  -6.458
  304    HB   THR  37           HB       THR  37  -7.577  13.271  -5.938
  305    HG1  THR  37           HG1      THR  37  -8.415  10.590  -6.401
  306   1HG2  THR  37          1HG2      THR  37  -6.448  11.679  -4.416
  307   2HG2  THR  37          2HG2      THR  37  -8.028  11.079  -3.908
  308   3HG2  THR  37          3HG2      THR  37  -7.569  12.749  -3.574
  309    H    TYR  38           H        TYR  38 -11.686  12.603  -4.071
  310    HA   TYR  38           HA       TYR  38 -11.439  10.012  -3.007
  311   1HB   TYR  38          2HB       TYR  38 -13.411  10.451  -1.845
  312   2HB   TYR  38          1HB       TYR  38 -12.735  12.052  -2.098
  313    HD1  TYR  38           HD1      TYR  38 -13.655  13.404  -4.100
  314    HD2  TYR  38           HD2      TYR  38 -15.578   9.967  -2.505
  315    HE1  TYR  38           HE1      TYR  38 -15.763  14.104  -5.155
  316    HE2  TYR  38           HE2      TYR  38 -17.686  10.651  -3.551
  317    HH   TYR  38           HH       TYR  38 -18.759  12.722  -4.368
  318    H    HIS  39           H        HIS  39 -13.022  11.217  -5.886
  319    HA   HIS  39           HA       HIS  39 -14.849   9.042  -6.148
  320   1HB   HIS  39          2HB       HIS  39 -15.208  11.282  -7.156
  321   2HB   HIS  39          1HB       HIS  39 -13.887  10.966  -8.273
  322    HD1  HIS  39           HD1      HIS  39 -17.390   9.757  -7.456
  323    HD2  HIS  39           HD2      HIS  39 -14.580   9.562 -10.523
  324    HE1  HIS  39           HE1      HIS  39 -18.585   8.725  -9.413
  325    HE2  HIS  39           HE2      HIS  39 -16.942   8.872 -11.314
  326    H    ASP  40           H        ASP  40 -11.542   9.508  -7.020
  327    HA   ASP  40           HA       ASP  40 -11.472   7.360  -8.947
  328   1HB   ASP  40          2HB       ASP  40  -9.917   9.372  -8.929
  329   2HB   ASP  40          1HB       ASP  40  -9.124   8.645  -7.537
  330    H    ILE  41           H        ILE  41 -10.569   7.884  -5.592
  331    HA   ILE  41           HA       ILE  41  -9.566   5.238  -5.149
  332    HB   ILE  41           HB       ILE  41 -10.511   7.200  -3.046
  333   1HG1  ILE  41          2HG1      ILE  41  -7.750   7.010  -4.270
  334   2HG1  ILE  41          1HG1      ILE  41  -8.932   8.245  -4.688
  335   1HG2  ILE  41          1HG2      ILE  41  -8.849   6.089  -1.635
  336   2HG2  ILE  41          2HG2      ILE  41  -8.428   5.016  -2.970
  337   3HG2  ILE  41          3HG2      ILE  41 -10.035   4.936  -2.249
  338   1HD1  ILE  41          1HD1      ILE  41  -8.904   9.064  -2.403
  339   2HD1  ILE  41          2HD1      ILE  41  -7.286   9.077  -3.109
  340   3HD1  ILE  41          3HD1      ILE  41  -7.740   7.815  -1.963
  341    H    ALA  42           H        ALA  42 -12.680   6.640  -5.294
  342    HA   ALA  42           HA       ALA  42 -14.026   4.686  -3.676
  343   1HB   ALA  42          1HB       ALA  42 -14.975   6.920  -4.067
  344   2HB   ALA  42          2HB       ALA  42 -16.074   5.629  -4.550
  345   3HB   ALA  42          3HB       ALA  42 -15.172   6.521  -5.776
  346    H    VAL  43           H        VAL  43 -12.514   4.556  -6.611
  347    HA   VAL  43           HA       VAL  43 -14.152   2.291  -7.509
  348    HB   VAL  43           HB       VAL  43 -11.823   3.570  -8.957
  349   1HG1  VAL  43          1HG1      VAL  43 -13.991   1.705  -9.908
  350   2HG1  VAL  43          2HG1      VAL  43 -12.300   1.285  -9.638
  351   3HG1  VAL  43          3HG1      VAL  43 -12.731   2.421 -10.914
  352   1HG2  VAL  43          1HG2      VAL  43 -13.578   5.220  -8.694
  353   2HG2  VAL  43          2HG2      VAL  43 -14.774   4.078  -9.306
  354   3HG2  VAL  43          3HG2      VAL  43 -13.500   4.676 -10.370
  355    H    LEU  44           H        LEU  44 -10.925   3.276  -6.530
  356    HA   LEU  44           HA       LEU  44 -10.000   0.519  -6.398
  357   1HB   LEU  44          2HB       LEU  44  -8.702   3.196  -5.994
  358   2HB   LEU  44          1HB       LEU  44  -7.919   1.737  -5.427
  359    HG   LEU  44           HG       LEU  44  -6.998   2.337  -7.562
  360   1HD1  LEU  44          1HD1      LEU  44  -8.862  -0.008  -7.818
  361   2HD1  LEU  44          2HD1      LEU  44  -7.241  -0.026  -7.124
  362   3HD1  LEU  44          3HD1      LEU  44  -7.461   0.308  -8.841
  363   1HD2  LEU  44          1HD2      LEU  44  -9.823   2.254  -8.613
  364   2HD2  LEU  44          2HD2      LEU  44  -8.369   2.436  -9.593
  365   3HD2  LEU  44          3HD2      LEU  44  -8.815   3.690  -8.437
  366    H    LEU  45           H        LEU  45 -11.263  -0.360  -4.731
  367    HA   LEU  45           HA       LEU  45 -10.673   0.626  -2.082
  368   1HB   LEU  45          2HB       LEU  45 -12.973   0.654  -1.369
  369   2HB   LEU  45          1HB       LEU  45 -12.770   1.735  -2.728
  370    HG   LEU  45           HG       LEU  45 -13.614  -0.488  -4.023
  371   1HD1  LEU  45          1HD1      LEU  45 -14.977  -0.524  -1.334
  372   2HD1  LEU  45          2HD1      LEU  45 -13.943  -1.787  -1.999
  373   3HD1  LEU  45          3HD1      LEU  45 -15.495  -1.430  -2.755
  374   1HD2  LEU  45          1HD2      LEU  45 -15.805   0.576  -4.096
  375   2HD2  LEU  45          2HD2      LEU  45 -14.516   1.770  -4.257
  376   3HD2  LEU  45          3HD2      LEU  45 -15.366   1.588  -2.722
  377    H    TYR  46           H        TYR  46  -9.695  -1.008  -1.314
  378    HA   TYR  46           HA       TYR  46  -9.557  -2.898  -0.041
  379   1HB   TYR  46          2HB       TYR  46 -12.328  -2.640  -0.427
  380   2HB   TYR  46          1HB       TYR  46 -11.952  -4.307  -0.844
  381    HD1  TYR  46           HD2      TYR  46 -10.975  -1.853   1.811
  382    HD2  TYR  46           HD1      TYR  46 -12.176  -5.822   0.860
  383    HE1  TYR  46           HE2      TYR  46 -10.943  -2.424   4.201
  384    HE2  TYR  46           HE1      TYR  46 -12.151  -6.404   3.255
  385    HH   TYR  46           HH       TYR  46 -11.172  -5.660   5.319
  386    H    GLU  47           H        GLU  47 -11.437  -4.022  -2.871
  387    HA   GLU  47           HA       GLU  47 -11.136  -5.848  -4.210
  388   1HB   GLU  47          2HB       GLU  47  -8.342  -4.696  -4.357
  389   2HB   GLU  47          1HB       GLU  47  -9.056  -5.805  -5.519
  390   1HG   GLU  47          2HG       GLU  47 -10.023  -3.006  -4.938
  391   2HG   GLU  47          1HG       GLU  47  -9.055  -3.494  -6.329
  392    H    LYS  48           H        LYS  48  -8.044  -6.750  -4.269
  393    HA   LYS  48           HA       LYS  48  -7.517  -7.741  -1.710
  394   1HB   LYS  48          2HB       LYS  48  -7.743 -10.157  -2.064
  395   2HB   LYS  48          1HB       LYS  48  -9.286  -9.325  -2.080
  396   1HG   LYS  48          2HG       LYS  48  -9.165  -9.409  -4.601
  397   2HG   LYS  48          1HG       LYS  48  -7.793 -10.506  -4.399
  398   1HD   LYS  48          2HD       LYS  48  -9.259 -11.931  -2.953
  399   2HD   LYS  48          1HD       LYS  48 -10.610 -10.893  -3.404
  400   1HE   LYS  48          2HE       LYS  48 -10.597 -12.896  -4.768
  401   2HE   LYS  48          1HE       LYS  48 -10.259 -11.479  -5.760
  402   1HZ   LYS  48          1HZ       LYS  48  -8.829 -13.505  -6.150
  403   2HZ   LYS  48          2HZ       LYS  48  -8.094 -13.173  -4.654
  404   3HZ   LYS  48          3HZ       LYS  48  -8.013 -12.041  -5.917
  405    H    THR  49           H        THR  49  -6.947  -8.535  -5.155
  406    HA   THR  49           HA       THR  49  -4.169  -9.125  -4.500
  407    HB   THR  49           HB       THR  49  -4.007  -9.680  -6.958
  408    HG1  THR  49           HG1      THR  49  -5.835  -8.431  -7.622
  409   1HG2  THR  49          1HG2      THR  49  -5.223 -11.800  -6.734
  410   2HG2  THR  49          2HG2      THR  49  -6.082 -11.158  -5.334
  411   3HG2  THR  49          3HG2      THR  49  -4.339 -11.408  -5.258
  412    H    PHE  50           H        PHE  50  -2.746  -7.538  -4.451
  413    HA   PHE  50           HA       PHE  50  -2.893  -5.454  -6.524
  414   1HB   PHE  50          2HB       PHE  50  -2.155  -5.108  -3.610
  415   2HB   PHE  50          1HB       PHE  50  -1.866  -3.888  -4.843
  416    HD1  PHE  50           HD2      PHE  50  -3.760  -2.775  -5.944
  417    HD2  PHE  50           HD1      PHE  50  -4.310  -5.445  -2.676
  418    HE1  PHE  50           HE2      PHE  50  -6.021  -1.877  -5.596
  419    HE2  PHE  50           HE1      PHE  50  -6.566  -4.560  -2.330
  420    HZ   PHE  50           HZ       PHE  50  -7.430  -2.769  -3.785
  421    H    ASN  51           H        ASN  51  -1.141  -5.468  -7.795
  422    HA   ASN  51           HA       ASN  51   1.297  -6.725  -6.916
  423   1HB   ASN  51          2HB       ASN  51   2.225  -5.869  -9.110
  424   2HB   ASN  51          1HB       ASN  51   0.884  -6.994  -9.238
  425   1HD2  ASN  51          1HD2      ASN  51   2.053  -4.666 -10.881
  426   2HD2  ASN  51          2HD2      ASN  51   0.643  -3.775 -11.337
  427    H    VAL  52           H        VAL  52   2.390  -5.752  -5.416
  428    HA   VAL  52           HA       VAL  52   2.414  -2.866  -5.184
  429    HB   VAL  52           HB       VAL  52   3.769  -4.964  -3.471
  430   1HG1  VAL  52          1HG1      VAL  52   3.253  -2.048  -2.904
  431   2HG1  VAL  52          2HG1      VAL  52   4.819  -2.758  -3.296
  432   3HG1  VAL  52          3HG1      VAL  52   3.993  -3.212  -1.806
  433   1HG2  VAL  52          1HG2      VAL  52   1.152  -3.510  -3.084
  434   2HG2  VAL  52          2HG2      VAL  52   1.925  -4.549  -1.885
  435   3HG2  VAL  52          3HG2      VAL  52   1.361  -5.232  -3.411
  436    H    GLU  53           H        GLU  53   3.651  -2.017  -6.762
  437    HA   GLU  53           HA       GLU  53   6.445  -2.919  -6.893
  438   1HB   GLU  53          2HB       GLU  53   4.769  -1.544  -9.006
  439   2HB   GLU  53          1HB       GLU  53   6.487  -1.890  -9.167
  440   1HG   GLU  53          2HG       GLU  53   6.018  -4.285  -8.983
  441   2HG   GLU  53          1HG       GLU  53   4.298  -3.933  -8.829
  442    H    VAL  54           H        VAL  54   7.826  -1.704  -6.012
  443    HA   VAL  54           HA       VAL  54   7.295   1.160  -5.799
  444    HB   VAL  54           HB       VAL  54   6.522   0.226  -3.724
  445   1HG1  VAL  54          1HG1      VAL  54   7.971  -1.011  -2.198
  446   2HG1  VAL  54          2HG1      VAL  54   9.233  -1.040  -3.429
  447   3HG1  VAL  54          3HG1      VAL  54   7.708  -1.881  -3.709
  448   1HG2  VAL  54          1HG2      VAL  54   7.938   1.426  -2.149
  449   2HG2  VAL  54          2HG2      VAL  54   7.654   2.354  -3.622
  450   3HG2  VAL  54          3HG2      VAL  54   9.197   1.536  -3.379
  451    HA   PRO  55           HA       PRO  55  11.484   0.876  -7.482
  452   1HB   PRO  55          2HB       PRO  55  11.058   3.802  -7.615
  453   2HB   PRO  55          1HB       PRO  55  11.539   2.677  -8.888
  454   1HG   PRO  55          2HG       PRO  55   9.084   3.718  -8.846
  455   2HG   PRO  55          1HG       PRO  55   9.360   2.036  -9.333
  456   1HD   PRO  55          2HD       PRO  55   8.344   3.110  -6.730
  457   2HD   PRO  55          1HD       PRO  55   7.805   1.690  -7.652
  458    H    GLU  56           H        GLU  56  10.216   2.793  -4.881
  459    HA   GLU  56           HA       GLU  56  12.583   3.968  -3.928
  460   1HB   GLU  56          2HB       GLU  56  10.276   3.051  -2.210
  461   2HB   GLU  56          1HB       GLU  56  11.392   4.373  -1.892
  462   1HG   GLU  56          2HG       GLU  56   9.373   4.297  -4.121
  463   2HG   GLU  56          1HG       GLU  56   9.169   5.139  -2.588
  464    H    ARG  57           H        ARG  57  11.255   0.762  -3.596
  465    HA   ARG  57           HA       ARG  57  13.515   0.020  -1.865
  466   1HB   ARG  57          2HB       ARG  57  10.776  -1.255  -1.995
  467   2HB   ARG  57          1HB       ARG  57  12.094  -1.752  -0.946
  468   1HG   ARG  57          2HG       ARG  57  10.624   0.874  -0.844
  469   2HG   ARG  57          1HG       ARG  57  10.469  -0.465   0.295
  470   1HD   ARG  57          2HD       ARG  57  12.912   1.230  -0.198
  471   2HD   ARG  57          1HD       ARG  57  11.895   1.226   1.243
  472    HE   ARG  57           HE       ARG  57  12.977  -1.359   0.689
  473   1HH1  ARG  57          1HH1      ARG  57  13.761   1.764   2.068
  474   2HH1  ARG  57          2HH1      ARG  57  14.981   1.132   3.133
  475   1HH2  ARG  57          1HH2      ARG  57  14.573  -2.189   2.113
  476   2HH2  ARG  57          2HH2      ARG  57  15.442  -1.100   3.149
  477    H    ASP  58           H        ASP  58  12.643  -0.063  -4.930
  478    HA   ASP  58           HA       ASP  58  12.998  -1.362  -6.763
  479   1HB   ASP  58          2HB       ASP  58  15.306  -1.318  -5.771
  480   2HB   ASP  58          1HB       ASP  58  14.949  -2.850  -4.987
  481    H    LEU  59           H        LEU  59  10.858  -2.072  -5.003
  482    HA   LEU  59           HA       LEU  59  10.907  -5.002  -4.968
  483   1HB   LEU  59          2HB       LEU  59   9.858  -2.991  -3.210
  484   2HB   LEU  59          1HB       LEU  59   8.560  -4.044  -3.737
  485    HG   LEU  59           HG       LEU  59  11.116  -5.001  -2.444
  486   1HD1  LEU  59          1HD1      LEU  59   8.355  -4.632  -1.294
  487   2HD1  LEU  59          2HD1      LEU  59   9.786  -3.680  -0.897
  488   3HD1  LEU  59          3HD1      LEU  59   9.718  -5.392  -0.473
  489   1HD2  LEU  59          1HD2      LEU  59   9.919  -7.121  -2.235
  490   2HD2  LEU  59          2HD2      LEU  59  10.065  -6.646  -3.927
  491   3HD2  LEU  59          3HD2      LEU  59   8.534  -6.431  -3.080
  492    H    ALA  60           H        ALA  60   9.506  -6.212  -6.061
  493    HA   ALA  60           HA       ALA  60   7.147  -5.009  -7.283
  494   1HB   ALA  60          1HB       ALA  60   9.154  -6.675  -8.813
  495   2HB   ALA  60          2HB       ALA  60   8.821  -4.961  -9.062
  496   3HB   ALA  60          3HB       ALA  60   7.579  -6.162  -9.420
  497    H    PHE  61           H        PHE  61   5.898  -6.110  -5.784
  498    HA   PHE  61           HA       PHE  61   5.963  -9.046  -5.938
  499   1HB   PHE  61          2HB       PHE  61   7.281  -8.134  -3.974
  500   2HB   PHE  61          1HB       PHE  61   5.759  -7.519  -3.349
  501    HD1  PHE  61           HD1      PHE  61   7.637 -10.566  -4.178
  502    HD2  PHE  61           HD2      PHE  61   4.223  -8.928  -2.241
  503    HE1  PHE  61           HE1      PHE  61   7.239 -12.723  -3.070
  504    HE2  PHE  61           HE2      PHE  61   3.812 -11.085  -1.134
  505    HZ   PHE  61           HZ       PHE  61   5.322 -12.986  -1.546
  506    H    ARG  62           H        ARG  62   3.994  -9.929  -6.041
  507    HA   ARG  62           HA       ARG  62   1.704  -8.142  -5.927
  508   1HB   ARG  62          2HB       ARG  62   2.122  -9.835  -7.811
  509   2HB   ARG  62          1HB       ARG  62   1.615 -11.063  -6.659
  510   1HG   ARG  62          2HG       ARG  62  -0.120  -8.695  -7.272
  511   2HG   ARG  62          1HG       ARG  62  -0.122 -10.127  -8.298
  512   1HD   ARG  62          2HD       ARG  62  -0.520 -10.368  -5.339
  513   2HD   ARG  62          1HD       ARG  62  -1.865  -9.922  -6.388
  514    HE   ARG  62           HE       ARG  62  -1.002 -12.111  -7.619
  515   1HH1  ARG  62          1HH1      ARG  62  -1.501 -11.541  -4.194
  516   2HH1  ARG  62          2HH1      ARG  62  -1.947 -13.189  -3.849
  517   1HH2  ARG  62          1HH2      ARG  62  -1.610 -14.260  -7.179
  518   2HH2  ARG  62          2HH2      ARG  62  -2.028 -14.731  -5.555
  519    H    GLY  63           H        GLY  63   0.910  -7.801  -3.984
  520   1HA   GLY  63          2HA       GLY  63   0.847  -9.997  -2.041
  521   2HA   GLY  63          1HA       GLY  63   0.573  -8.294  -1.688
  522    H    GLU  64           H        GLU  64  -1.165 -10.095  -0.666
  523    HA   GLU  64           HA       GLU  64  -3.580  -9.467  -2.176
  524   1HB   GLU  64          2HB       GLU  64  -4.446 -11.783  -1.721
  525   2HB   GLU  64          1HB       GLU  64  -3.148 -11.693  -2.895
  526   1HG   GLU  64          2HG       GLU  64  -1.557 -12.394  -1.156
  527   2HG   GLU  64          1HG       GLU  64  -2.901 -12.547  -0.021
  528    H    MET  65           H        MET  65  -4.646  -8.201  -0.827
  529    HA   MET  65           HA       MET  65  -4.422  -8.437   2.012
  530   1HB   MET  65          2HB       MET  65  -6.032  -6.644   2.139
  531   2HB   MET  65          1HB       MET  65  -4.867  -6.275   0.880
  532   1HG   MET  65          2HG       MET  65  -6.676  -5.744  -0.309
  533   2HG   MET  65          1HG       MET  65  -6.807  -7.484  -0.561
  534   1HE   MET  65          1HE       MET  65  -7.986  -4.428   1.545
  535   2HE   MET  65          2HE       MET  65  -7.384  -5.536   2.779
  536   3HE   MET  65          3HE       MET  65  -9.109  -5.173   2.684
  537    H    THR  66           H        THR  66  -5.444  -9.782   3.279
  538    HA   THR  66           HA       THR  66  -7.557 -11.431   2.074
  539    HB   THR  66           HB       THR  66  -6.826 -13.189   3.634
  540    HG1  THR  66           HG1      THR  66  -4.534 -11.740   4.347
  541   1HG2  THR  66          1HG2      THR  66  -5.744 -13.040   1.438
  542   2HG2  THR  66          2HG2      THR  66  -4.603 -13.600   2.663
  543   3HG2  THR  66          3HG2      THR  66  -4.547 -11.924   2.103
  544    H    ASN  67           H        ASN  67  -7.503  -8.851   3.778
  545    HA   ASN  67           HA       ASN  67  -8.816  -9.644   6.232
  546   1HB   ASN  67          2HB       ASN  67  -8.405  -6.854   5.142
  547   2HB   ASN  67          1HB       ASN  67  -8.729  -7.310   6.812
  548   1HD2  ASN  67          1HD2      ASN  67  -7.071  -8.049   8.093
  549   2HD2  ASN  67          2HD2      ASN  67  -5.415  -7.967   7.592
  550    H    TYR  68           H        TYR  68 -10.940  -9.898   6.434
  551    HA   TYR  68           HA       TYR  68 -12.774  -9.225   4.355
  552   1HB   TYR  68          2HB       TYR  68 -13.226 -11.115   5.827
  553   2HB   TYR  68          1HB       TYR  68 -13.236 -10.055   7.232
  554    HD1  TYR  68           HD2      TYR  68 -14.974 -10.473   3.953
  555    HD2  TYR  68           HD1      TYR  68 -15.281  -9.318   8.037
  556    HE1  TYR  68           HE2      TYR  68 -17.387 -10.117   3.665
  557    HE2  TYR  68           HE1      TYR  68 -17.697  -8.958   7.761
  558    HH   TYR  68           HH       TYR  68 -19.296  -8.492   5.964
  559    H    SER  69           H        SER  69 -14.515  -7.691   4.499
  560    HA   SER  69           HA       SER  69 -13.818  -5.102   5.032
  561   1HB   SER  69          2HB       SER  69 -16.653  -6.121   5.221
  562   2HB   SER  69          1HB       SER  69 -16.102  -4.545   4.650
  563    HG   SER  69           HG       SER  69 -16.685  -6.198   3.010
  564    H    THR  70           H        THR  70 -12.977  -4.572   6.981
  565    HA   THR  70           HA       THR  70 -14.794  -4.730   9.295
  566    HB   THR  70           HB       THR  70 -11.806  -5.169   9.503
  567    HG1  THR  70           HG1      THR  70 -12.862  -6.909   8.372
  568   1HG2  THR  70          1HG2      THR  70 -12.363  -6.003  11.749
  569   2HG2  THR  70          2HG2      THR  70 -14.062  -5.622  11.466
  570   3HG2  THR  70          3HG2      THR  70 -12.868  -4.327  11.540
  571    H    SER  71           H        SER  71 -12.196  -3.092   7.607
  572    HA   SER  71           HA       SER  71 -12.033  -0.935   9.493
  573   1HB   SER  71          2HB       SER  71 -10.661   0.074   7.529
  574   2HB   SER  71          1HB       SER  71 -10.019  -1.316   8.399
  575    HG   SER  71           HG       SER  71  -9.898  -1.539   6.103
  576    H    LEU  72           H        LEU  72 -13.552   0.581   9.644
  577    HA   LEU  72           HA       LEU  72 -15.489   0.865   7.531
  578   1HB   LEU  72          2HB       LEU  72 -16.710   2.321   9.084
  579   2HB   LEU  72          1HB       LEU  72 -16.340   0.755   9.772
  580    HG   LEU  72           HG       LEU  72 -14.640   3.167  10.383
  581   1HD1  LEU  72          1HD1      LEU  72 -16.931   3.761  10.935
  582   2HD1  LEU  72          2HD1      LEU  72 -15.989   3.491  12.401
  583   3HD1  LEU  72          3HD1      LEU  72 -17.122   2.261  11.840
  584   1HD2  LEU  72          1HD2      LEU  72 -15.193   0.615  11.900
  585   2HD2  LEU  72          2HD2      LEU  72 -14.110   1.914  12.403
  586   3HD2  LEU  72          3HD2      LEU  72 -13.738   0.962  10.966
  587    H    THR  73           H        THR  73 -14.346   1.830   5.884
  588    HA   THR  73           HA       THR  73 -13.651   4.656   6.274
  589    HB   THR  73           HB       THR  73 -13.275   2.946   3.801
  590    HG1  THR  73           HG1      THR  73 -11.402   3.644   5.844
  591   1HG2  THR  73          1HG2      THR  73 -12.112   5.633   4.580
  592   2HG2  THR  73          2HG2      THR  73 -13.310   5.344   3.320
  593   3HG2  THR  73          3HG2      THR  73 -11.673   4.716   3.140
  594    H    ASN  74           H        ASN  74 -15.243   2.711   3.780
  595    HA   ASN  74           HA       ASN  74 -17.755   3.905   3.949
  596   1HB   ASN  74          2HB       ASN  74 -17.701   5.102   1.690
  597   2HB   ASN  74          1HB       ASN  74 -16.957   5.931   3.049
  598   1HD2  ASN  74          1HD2      ASN  74 -15.722   7.210   1.699
  599   2HD2  ASN  74          2HD2      ASN  74 -14.358   6.596   0.833
  600    H    LEU  75           H        LEU  75 -15.469   2.654   1.548
  601    HA   LEU  75           HA       LEU  75 -15.353   0.688   0.453
  602   1HB   LEU  75          2HB       LEU  75 -17.497  -0.157   2.394
  603   2HB   LEU  75          1HB       LEU  75 -16.621  -1.242   1.333
  604    HG   LEU  75           HG       LEU  75 -15.386   0.420   3.531
  605   1HD1  LEU  75          1HD1      LEU  75 -16.764  -1.397   4.396
  606   2HD1  LEU  75          2HD1      LEU  75 -15.050  -1.715   4.666
  607   3HD1  LEU  75          3HD1      LEU  75 -15.907  -2.545   3.367
  608   1HD2  LEU  75          1HD2      LEU  75 -14.174  -1.646   1.696
  609   2HD2  LEU  75          2HD2      LEU  75 -13.362  -0.897   3.070
  610   3HD2  LEU  75          3HD2      LEU  75 -13.841   0.085   1.684
  611    H    TYR  76           H        TYR  76 -17.740   2.742  -0.012
  612    HA   TYR  76           HA       TYR  76 -18.547   1.851  -2.492
  613   1HB   TYR  76          2HB       TYR  76 -19.641  -0.002  -1.192
  614   2HB   TYR  76          1HB       TYR  76 -20.663   1.205  -0.425
  615    HD1  TYR  76           HD2      TYR  76 -19.638   0.219  -3.885
  616    HD2  TYR  76           HD1      TYR  76 -22.786   1.437  -1.293
  617    HE1  TYR  76           HE2      TYR  76 -21.235   0.017  -5.743
  618    HE2  TYR  76           HE1      TYR  76 -24.393   1.238  -3.143
  619    HH   TYR  76           HH       TYR  76 -24.498   1.176  -5.502
  620    H    GLU  77           H        GLU  77 -19.773   3.364   0.449
  621    HA   GLU  77           HA       GLU  77 -21.377   5.261  -1.004
  622   1HB   GLU  77          2HB       GLU  77 -20.729   5.109   1.942
  623   2HB   GLU  77          1HB       GLU  77 -22.000   6.067   1.205
  624   1HG   GLU  77          2HG       GLU  77 -23.199   4.101   0.555
  625   2HG   GLU  77          1HG       GLU  77 -21.871   3.069   1.084
  626    HA   PRO  78           HA       PRO  78 -17.994   8.199  -1.415
  627   1HB   PRO  78          2HB       PRO  78 -20.221  10.016  -2.121
  628   2HB   PRO  78          1HB       PRO  78 -18.770   9.605  -3.040
  629   1HG   PRO  78          2HG       PRO  78 -21.161   8.667  -3.761
  630   2HG   PRO  78          1HG       PRO  78 -19.703   7.665  -3.900
  631   1HD   PRO  78          2HD       PRO  78 -21.855   7.601  -1.814
  632   2HD   PRO  78          1HD       PRO  78 -21.016   6.252  -2.610
  633    H    GLY  79           H        GLY  79 -17.170   9.719  -0.059
  634   1HA   GLY  79          2HA       GLY  79 -18.972  11.076   1.822
  635   2HA   GLY  79          1HA       GLY  79 -17.620  10.149   2.458
  636    H    ALA  80           H        ALA  80 -17.297  12.486   3.329
  637    HA   ALA  80           HA       ALA  80 -15.973  14.212   1.384
  638   1HB   ALA  80          1HB       ALA  80 -15.857  15.838   3.216
  639   2HB   ALA  80          2HB       ALA  80 -16.523  14.640   4.323
  640   3HB   ALA  80          3HB       ALA  80 -17.503  15.248   2.989
  641    H    VAL  81           H        VAL  81 -15.211  13.030   4.645
  642    HA   VAL  81           HA       VAL  81 -12.465  12.495   3.721
  643    HB   VAL  81           HB       VAL  81 -13.398  13.332   6.472
  644   1HG1  VAL  81          1HG1      VAL  81 -11.081  13.135   7.187
  645   2HG1  VAL  81          2HG1      VAL  81 -10.605  12.583   5.581
  646   3HG1  VAL  81          3HG1      VAL  81 -11.647  11.575   6.588
  647   1HG2  VAL  81          1HG2      VAL  81 -13.161  15.139   4.872
  648   2HG2  VAL  81          2HG2      VAL  81 -11.523  14.603   4.501
  649   3HG2  VAL  81          3HG2      VAL  81 -11.906  15.222   6.107
  650    H    SER  82           H        SER  82 -11.938  10.407   3.755
  651    HA   SER  82           HA       SER  82 -13.224   8.712   5.732
  652   1HB   SER  82          2HB       SER  82 -13.221   8.125   2.765
  653   2HB   SER  82          1HB       SER  82 -13.782   7.009   4.009
  654    HG   SER  82           HG       SER  82 -14.999   9.315   4.421
  655    H    GLU  83           H        GLU  83 -11.578   7.790   6.808
  656    HA   GLU  83           HA       GLU  83  -8.986   7.550   5.559
  657   1HB   GLU  83          2HB       GLU  83  -9.985   6.839   8.314
  658   2HB   GLU  83          1HB       GLU  83  -8.313   6.642   7.802
  659   1HG   GLU  83          2HG       GLU  83  -8.101   9.009   7.429
  660   2HG   GLU  83          1HG       GLU  83  -9.810   9.252   7.791
  661    H    PHE  84           H        PHE  84  -8.807   5.962   4.095
  662    HA   PHE  84           HA       PHE  84 -10.029   3.388   4.415
  663   1HB   PHE  84          2HB       PHE  84  -8.387   4.712   2.362
  664   2HB   PHE  84          1HB       PHE  84  -8.099   2.984   2.513
  665    HD1  PHE  84           HD1      PHE  84 -10.366   1.550   2.664
  666    HD2  PHE  84           HD2      PHE  84  -9.970   5.387   0.884
  667    HE1  PHE  84           HE1      PHE  84 -12.358   1.112   1.288
  668    HE2  PHE  84           HE2      PHE  84 -11.966   4.966  -0.486
  669    HZ   PHE  84           HZ       PHE  84 -13.161   2.823  -0.296
  670    H    TYR  85           H        TYR  85  -9.347   2.219   6.088
  671    HA   TYR  85           HA       TYR  85  -6.493   1.877   6.547
  672   1HB   TYR  85          2HB       TYR  85  -7.845   2.081   8.537
  673   2HB   TYR  85          1HB       TYR  85  -8.932   0.812   7.991
  674    HD1  TYR  85           HD2      TYR  85  -5.303   1.309   8.773
  675    HD2  TYR  85           HD1      TYR  85  -8.672  -1.285   8.881
  676    HE1  TYR  85           HE2      TYR  85  -3.967  -0.367   9.984
  677    HE2  TYR  85           HE1      TYR  85  -7.361  -2.962  10.087
  678    HH   TYR  85           HH       TYR  85  -4.873  -3.558  10.301
  679    H    ILE  86           H        ILE  86  -5.849   0.835   4.688
  680    HA   ILE  86           HA       ILE  86  -7.029  -1.832   4.227
  681    HB   ILE  86           HB       ILE  86  -5.540  -0.199   2.169
  682   1HG1  ILE  86          2HG1      ILE  86  -8.536  -0.478   2.528
  683   2HG1  ILE  86          1HG1      ILE  86  -7.609   0.985   2.843
  684   1HG2  ILE  86          1HG2      ILE  86  -5.587  -2.612   1.792
  685   2HG2  ILE  86          2HG2      ILE  86  -6.576  -1.772   0.597
  686   3HG2  ILE  86          3HG2      ILE  86  -7.346  -2.609   1.945
  687   1HD1  ILE  86          1HD1      ILE  86  -8.744   1.106   0.703
  688   2HD1  ILE  86          2HD1      ILE  86  -7.930  -0.364   0.172
  689   3HD1  ILE  86          3HD1      ILE  86  -6.995   1.098   0.483
  690    H    GLU  87           H        GLU  87  -5.706  -3.271   5.175
  691    HA   GLU  87           HA       GLU  87  -2.821  -2.946   4.776
  692   1HB   GLU  87          2HB       GLU  87  -2.563  -4.695   6.520
  693   2HB   GLU  87          1HB       GLU  87  -3.386  -3.256   7.100
  694   1HG   GLU  87          2HG       GLU  87  -5.502  -4.359   7.036
  695   2HG   GLU  87          1HG       GLU  87  -4.795  -5.760   6.233
  696    H    ILE  88           H        ILE  88  -1.641  -4.463   3.702
  697    HA   ILE  88           HA       ILE  88  -3.189  -6.578   2.330
  698    HB   ILE  88           HB       ILE  88  -0.848  -4.997   1.239
  699   1HG1  ILE  88          2HG1      ILE  88  -3.774  -4.930   0.470
  700   2HG1  ILE  88          1HG1      ILE  88  -2.941  -3.682   1.391
  701   1HG2  ILE  88          1HG2      ILE  88  -1.355  -6.142  -0.876
  702   2HG2  ILE  88          2HG2      ILE  88  -2.573  -7.110  -0.043
  703   3HG2  ILE  88          3HG2      ILE  88  -0.872  -7.266   0.395
  704   1HD1  ILE  88          1HD1      ILE  88  -3.198  -3.032  -0.926
  705   2HD1  ILE  88          2HD1      ILE  88  -2.346  -4.485  -1.446
  706   3HD1  ILE  88          3HD1      ILE  88  -1.494  -3.244  -0.529
  707    H    THR  89           H        THR  89  -2.610  -8.486   3.033
  708    HA   THR  89           HA       THR  89  -0.013  -9.030   4.135
  709    HB   THR  89           HB       THR  89  -0.998 -11.450   4.033
  710    HG1  THR  89           HG1      THR  89  -2.728 -10.776   2.567
  711   1HG2  THR  89          1HG2      THR  89  -0.747 -10.133   6.085
  712   2HG2  THR  89          2HG2      THR  89  -2.254 -11.049   6.094
  713   3HG2  THR  89          3HG2      THR  89  -2.273  -9.319   5.753
  714    H    GLU  90           H        GLU  90   1.717  -9.820   3.050
  715    HA   GLU  90           HA       GLU  90   1.810  -9.999   0.266
  716   1HB   GLU  90          2HB       GLU  90   4.018 -10.660   0.507
  717   2HB   GLU  90          1HB       GLU  90   3.717  -9.855   2.039
  718   1HG   GLU  90          2HG       GLU  90   3.384 -11.995   3.126
  719   2HG   GLU  90          1HG       GLU  90   3.630 -12.824   1.589
  720    H    ILE  91           H        ILE  91   1.968 -11.826  -1.139
  721    HA   ILE  91           HA       ILE  91   0.069 -13.845  -0.632
  722    HB   ILE  91           HB       ILE  91   0.710 -13.106  -2.914
  723   1HG1  ILE  91          2HG1      ILE  91   0.859 -16.015  -2.172
  724   2HG1  ILE  91          1HG1      ILE  91  -0.507 -15.114  -2.825
  725   1HG2  ILE  91          1HG2      ILE  91   3.121 -12.932  -2.583
  726   2HG2  ILE  91          2HG2      ILE  91   2.738 -13.961  -3.962
  727   3HG2  ILE  91          3HG2      ILE  91   3.234 -14.685  -2.432
  728   1HD1  ILE  91          1HD1      ILE  91   2.000 -15.871  -4.300
  729   2HD1  ILE  91          2HD1      ILE  91   0.667 -14.924  -4.965
  730   3HD1  ILE  91          3HD1      ILE  91   0.407 -16.603  -4.487
  731    H    ASP  92           H        ASP  92   0.371 -16.076  -0.181
  732    HA   ASP  92           HA       ASP  92   2.830 -16.528   1.334
  733   1HB   ASP  92          2HB       ASP  92   0.202 -18.007   1.446
  734   2HB   ASP  92          1HB       ASP  92   1.605 -18.368   2.439
  735    H    LYS  93           H        LYS  93   3.643 -18.722   1.431
  736    HA   LYS  93           HA       LYS  93   4.227 -19.749  -1.135
  737   1HB   LYS  93          2HB       LYS  93   5.316 -21.606   0.248
  738   2HB   LYS  93          1HB       LYS  93   5.934 -19.975   0.475
  739   1HG   LYS  93          2HG       LYS  93   4.812 -19.734   2.544
  740   2HG   LYS  93          1HG       LYS  93   3.824 -21.165   2.256
  741   1HD   LYS  93          2HD       LYS  93   6.822 -21.294   2.507
  742   2HD   LYS  93          1HD       LYS  93   5.743 -21.410   3.900
  743   1HE   LYS  93          2HE       LYS  93   5.696 -23.212   1.484
  744   2HE   LYS  93          1HE       LYS  93   6.402 -23.623   3.046
  745   1HZ   LYS  93          1HZ       LYS  93   4.215 -23.434   4.054
  746   2HZ   LYS  93          2HZ       LYS  93   4.168 -24.547   2.775
  747   3HZ   LYS  93          3HZ       LYS  93   3.531 -22.994   2.569
  748    H    ASN  94           H        ASN  94   1.650 -20.055   0.718
  749    HA   ASN  94           HA       ASN  94   1.016 -22.830   0.202
  750   1HB   ASN  94          2HB       ASN  94  -0.690 -20.714   1.529
  751   2HB   ASN  94          1HB       ASN  94  -0.910 -22.453   1.603
  752   1HD2  ASN  94          1HD2      ASN  94  -0.615 -20.570   3.771
  753   2HD2  ASN  94          2HD2      ASN  94   0.778 -21.077   4.677
  754    H    ALA  95           H        ALA  95   0.436 -19.715  -1.124
  755    HA   ALA  95           HA       ALA  95  -1.878 -20.598  -2.659
  756   1HB   ALA  95          1HB       ALA  95  -1.917 -18.336  -1.752
  757   2HB   ALA  95          2HB       ALA  95  -1.931 -18.302  -3.515
  758   3HB   ALA  95          3HB       ALA  95  -0.444 -17.943  -2.638
  759    H    ASP  96           H        ASP  96   1.436 -19.454  -3.202
  760    HA   ASP  96           HA       ASP  96   1.616 -21.160  -5.539
  761   1HB   ASP  96          2HB       ASP  96   0.819 -19.017  -6.463
  762   2HB   ASP  96          1HB       ASP  96   2.192 -18.189  -5.745
  763    H    SER  97           H        SER  97   3.926 -21.048  -6.410
  764    HA   SER  97           HA       SER  97   5.922 -20.390  -4.425
  765   1HB   SER  97          2HB       SER  97   4.943 -22.589  -3.672
  766   2HB   SER  97          1HB       SER  97   5.516 -23.294  -5.182
  767    HG   SER  97           HG       SER  97   7.654 -22.445  -4.466
  768    H    LEU  98           H        LEU  98   5.216 -19.884  -7.269
  769    HA   LEU  98           HA       LEU  98   7.762 -20.750  -8.454
  770   1HB   LEU  98          2HB       LEU  98   5.070 -20.556  -9.795
  771   2HB   LEU  98          1HB       LEU  98   6.581 -20.742 -10.668
  772    HG   LEU  98           HG       LEU  98   5.538 -22.716  -8.641
  773   1HD1  LEU  98          1HD1      LEU  98   4.066 -22.625 -10.587
  774   2HD1  LEU  98          2HD1      LEU  98   4.987 -24.129 -10.559
  775   3HD1  LEU  98          3HD1      LEU  98   5.455 -22.828 -11.654
  776   1HD2  LEU  98          1HD2      LEU  98   7.788 -22.901 -10.641
  777   2HD2  LEU  98          2HD2      LEU  98   7.252 -24.190  -9.562
  778   3HD2  LEU  98          3HD2      LEU  98   7.966 -22.721  -8.896
  779    H    GLU  99           H        GLU  99   8.788 -18.868  -7.960
  780    HA   GLU  99           HA       GLU  99   7.549 -16.329  -8.605
  781   1HB   GLU  99          2HB       GLU  99   9.557 -15.343  -7.545
  782   2HB   GLU  99          1HB       GLU  99   8.713 -16.475  -6.500
  783   1HG   GLU  99          2HG       GLU  99  10.375 -18.204  -7.105
  784   2HG   GLU  99          1HG       GLU  99  11.254 -16.985  -8.028
  785    H    HIS 100           H        HIS 100   8.365 -14.797  -9.998
  786    HA   HIS 100           HA       HIS 100  10.256 -15.792 -12.031
  787   1HB   HIS 100          2HB       HIS 100   7.888 -15.650 -12.823
  788   2HB   HIS 100          1HB       HIS 100   7.902 -13.930 -12.461
  789    HD1  HIS 100           HD1      HIS 100   8.822 -12.386 -14.221
  790    HD2  HIS 100           HD2      HIS 100   9.612 -16.394 -15.019
  791    HE1  HIS 100           HE1      HIS 100   9.750 -12.447 -16.559
  792    HE2  HIS 100           HE2      HIS 100  10.308 -14.867 -16.990
  793    H    HIS 101           H        HIS 101  11.644 -14.219 -12.991
  794    HA   HIS 101           HA       HIS 101  12.825 -12.280 -13.218
  795   1HB   HIS 101          2HB       HIS 101  10.697 -11.038 -12.904
  796   2HB   HIS 101          1HB       HIS 101  10.955 -11.068 -11.168
  797    HD1  HIS 101           HD1      HIS 101  12.785  -9.777 -14.257
  798    HD2  HIS 101           HD2      HIS 101  12.161  -8.835 -10.256
  799    HE1  HIS 101           HE1      HIS 101  13.892  -7.547 -13.904
  800    HE2  HIS 101           HE2      HIS 101  13.276  -6.892 -11.548
  801    H    HIS 102           H        HIS 102  12.687 -14.272 -10.709
  802    HA   HIS 102           HA       HIS 102  14.553 -12.888  -8.968
  803   1HB   HIS 102          2HB       HIS 102  12.765 -14.353  -8.035
  804   2HB   HIS 102          1HB       HIS 102  13.529 -15.734  -8.815
  805    HD1  HIS 102           HD1      HIS 102  14.838 -17.059  -7.212
  806    HD2  HIS 102           HD2      HIS 102  14.910 -12.995  -6.285
  807    HE1  HIS 102           HE1      HIS 102  16.234 -16.853  -5.129
  808    HE2  HIS 102           HE2      HIS 102  16.340 -14.382  -4.630
  809    H    HIS 103           H        HIS 103  16.425 -12.641 -10.116
  810    HA   HIS 103           HA       HIS 103  17.493 -14.902 -11.590
  811   1HB   HIS 103          2HB       HIS 103  19.255 -13.243 -12.335
  812   2HB   HIS 103          1HB       HIS 103  17.607 -12.894 -12.834
  813    HD1  HIS 103           HD1      HIS 103  20.500 -11.368 -11.287
  814    HD2  HIS 103           HD2      HIS 103  16.382 -10.791 -11.155
  815    HE1  HIS 103           HE1      HIS 103  20.164  -9.062 -10.331
  816    HE2  HIS 103           HE2      HIS 103  17.661  -8.804 -10.110
  817    H    HIS 104           H        HIS 104  17.991 -16.239  -9.864
  818    HA   HIS 104           HA       HIS 104  20.689 -16.366  -9.266
  819   1HB   HIS 104          2HB       HIS 104  19.981 -14.442  -7.666
  820   2HB   HIS 104          1HB       HIS 104  19.204 -15.710  -6.722
  821    HD1  HIS 104           HD1      HIS 104  22.136 -13.852  -6.594
  822    HD2  HIS 104           HD2      HIS 104  21.399 -17.945  -6.432
  823    HE1  HIS 104           HE1      HIS 104  24.160 -14.867  -5.506
  824    HE2  HIS 104           HE2      HIS 104  23.786 -17.355  -5.635
  825    H    HIS 105           H        HIS 105  17.452 -17.075  -8.067
  826    HA   HIS 105           HA       HIS 105  18.070 -19.926  -8.163
  827   1HB   HIS 105          2HB       HIS 105  17.057 -18.436  -5.767
  828   2HB   HIS 105          1HB       HIS 105  16.514 -20.084  -6.047
  829    HD1  HIS 105           HD1      HIS 105  18.986 -18.306  -4.252
  830    HD2  HIS 105           HD2      HIS 105  18.970 -21.851  -6.430
  831    HE1  HIS 105           HE1      HIS 105  20.960 -19.627  -3.418
  832    HE2  HIS 105           HE2      HIS 105  20.896 -21.798  -4.698
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1   8.069   3.404   6.436
    2   2H    MET   1          2H        MET   1   8.307   2.276   5.189
    3   3H    MET   1          3H        MET   1   7.337   3.644   4.928
    4    HA   MET   1           HA       MET   1   9.214   5.096   5.177
    5   1HB   MET   1          2HB       MET   1  10.756   2.516   5.510
    6   2HB   MET   1          1HB       MET   1  11.499   4.085   5.230
    7   1HG   MET   1          2HG       MET   1   9.818   3.311   7.604
    8   2HG   MET   1          1HG       MET   1  11.570   3.502   7.579
    9   1HE   MET   1          1HE       MET   1  11.902   6.057   5.702
   10   2HE   MET   1          2HE       MET   1  12.798   5.849   7.208
   11   3HE   MET   1          3HE       MET   1  11.936   7.356   6.896
   12    H    VAL   2           H        VAL   2   8.038   5.197   3.142
   13    HA   VAL   2           HA       VAL   2   9.767   4.838   0.934
   14    HB   VAL   2           HB       VAL   2   8.427   2.517   1.518
   15   1HG1  VAL   2          1HG1      VAL   2   6.714   2.164  -0.166
   16   2HG1  VAL   2          2HG1      VAL   2   6.845   3.851  -0.662
   17   3HG1  VAL   2          3HG1      VAL   2   6.254   3.451   0.951
   18   1HG2  VAL   2          1HG2      VAL   2   9.356   3.479  -1.179
   19   2HG2  VAL   2          2HG2      VAL   2   9.063   1.795  -0.744
   20   3HG2  VAL   2          3HG2      VAL   2  10.344   2.705   0.059
   21    H    LYS   3           H        LYS   3   8.796   5.781  -1.041
   22    HA   LYS   3           HA       LYS   3   6.201   7.051  -0.568
   23   1HB   LYS   3          2HB       LYS   3   8.040   8.701  -0.132
   24   2HB   LYS   3          1HB       LYS   3   8.510   8.532  -1.820
   25   1HG   LYS   3          2HG       LYS   3   6.458   9.445  -2.580
   26   2HG   LYS   3          1HG       LYS   3   5.750   9.359  -0.967
   27   1HD   LYS   3          2HD       LYS   3   7.460  10.999  -0.202
   28   2HD   LYS   3          1HD       LYS   3   7.993  11.156  -1.878
   29   1HE   LYS   3          2HE       LYS   3   5.815  11.961  -2.537
   30   2HE   LYS   3          1HE       LYS   3   5.187  11.689  -0.913
   31   1HZ   LYS   3          1HZ       LYS   3   5.679  13.993  -1.150
   32   2HZ   LYS   3          2HZ       LYS   3   7.245  13.666  -1.721
   33   3HZ   LYS   3          3HZ       LYS   3   6.844  13.325  -0.111
   34    H    THR   4           H        THR   4   8.649   6.045  -2.928
   35    HA   THR   4           HA       THR   4   6.736   6.297  -5.082
   36    HB   THR   4           HB       THR   4   9.453   4.976  -5.203
   37    HG1  THR   4           HG1      THR   4  10.021   7.124  -6.104
   38   1HG2  THR   4          1HG2      THR   4   9.307   5.490  -7.590
   39   2HG2  THR   4          2HG2      THR   4   7.720   6.220  -7.347
   40   3HG2  THR   4          3HG2      THR   4   7.942   4.490  -7.088
   41    H    LEU   5           H        LEU   5   5.143   4.909  -4.131
   42    HA   LEU   5           HA       LEU   5   5.766   2.060  -4.539
   43   1HB   LEU   5          2HB       LEU   5   5.092   2.637  -2.222
   44   2HB   LEU   5          1HB       LEU   5   3.575   3.266  -2.842
   45    HG   LEU   5           HG       LEU   5   3.011   0.995  -3.679
   46   1HD1  LEU   5          1HD1      LEU   5   4.299  -0.917  -2.857
   47   2HD1  LEU   5          2HD1      LEU   5   5.494   0.185  -2.173
   48   3HD1  LEU   5          3HD1      LEU   5   5.263   0.109  -3.920
   49   1HD2  LEU   5          1HD2      LEU   5   2.199   1.798  -1.513
   50   2HD2  LEU   5          2HD2      LEU   5   3.633   1.127  -0.734
   51   3HD2  LEU   5          3HD2      LEU   5   2.470   0.055  -1.513
   52    H    ARG   6           H        ARG   6   4.607   0.959  -6.027
   53    HA   ARG   6           HA       ARG   6   2.393   2.402  -7.336
   54   1HB   ARG   6          2HB       ARG   6   4.429   0.679  -8.763
   55   2HB   ARG   6          1HB       ARG   6   3.186   1.688  -9.492
   56   1HG   ARG   6          2HG       ARG   6   4.302   3.688  -8.731
   57   2HG   ARG   6          1HG       ARG   6   5.508   2.725  -7.878
   58   1HD   ARG   6          2HD       ARG   6   6.548   3.372  -9.875
   59   2HD   ARG   6          1HD       ARG   6   6.054   1.707 -10.141
   60    HE   ARG   6           HE       ARG   6   4.007   2.881 -11.226
   61   1HH1  ARG   6          1HH1      ARG   6   7.355   3.876 -11.398
   62   2HH1  ARG   6          2HH1      ARG   6   7.168   4.690 -12.921
   63   1HH2  ARG   6          1HH2      ARG   6   3.761   3.911 -13.238
   64   2HH2  ARG   6          2HH2      ARG   6   5.126   4.678 -13.992
   65    H    LEU   7           H        LEU   7   0.635   1.193  -7.869
   66    HA   LEU   7           HA       LEU   7   0.726  -1.642  -7.081
   67   1HB   LEU   7          2HB       LEU   7  -1.666   0.185  -7.375
   68   2HB   LEU   7          1HB       LEU   7  -1.724  -1.496  -6.880
   69    HG   LEU   7           HG       LEU   7  -0.384   0.732  -5.344
   70   1HD1  LEU   7          1HD1      LEU   7  -2.201   0.415  -3.734
   71   2HD1  LEU   7          2HD1      LEU   7  -2.956  -0.752  -4.819
   72   3HD1  LEU   7          3HD1      LEU   7  -2.807   0.936  -5.307
   73   1HD2  LEU   7          1HD2      LEU   7  -0.183  -0.945  -3.556
   74   2HD2  LEU   7          2HD2      LEU   7   0.744  -1.384  -4.990
   75   3HD2  LEU   7          3HD2      LEU   7  -0.795  -2.179  -4.659
   76    H    ASN   8           H        ASN   8   1.667  -2.249  -9.043
   77    HA   ASN   8           HA       ASN   8   1.810  -2.866 -11.208
   78   1HB   ASN   8          2HB       ASN   8  -0.279  -4.091 -10.733
   79   2HB   ASN   8          1HB       ASN   8  -1.209  -2.671 -11.197
   80   1HD2  ASN   8          1HD2      ASN   8   1.716  -3.621 -12.883
   81   2HD2  ASN   8          2HD2      ASN   8   0.931  -4.118 -14.347
   82    H    ASN   9           H        ASN   9   2.856  -0.863 -11.512
   83    HA   ASN   9           HA       ASN   9   3.425   0.813 -12.920
   84   1HB   ASN   9          2HB       ASN   9   2.209  -0.404 -14.683
   85   2HB   ASN   9          1HB       ASN   9   0.726   0.429 -14.226
   86   1HD2  ASN   9          1HD2      ASN   9   0.398   1.523 -16.092
   87   2HD2  ASN   9          2HD2      ASN   9   1.469   2.750 -16.689
   88    H    VAL  10           H        VAL  10   0.115   1.116 -11.631
   89    HA   VAL  10           HA       VAL  10   0.189   3.967 -11.947
   90    HB   VAL  10           HB       VAL  10  -1.991   3.946 -10.783
   91   1HG1  VAL  10          1HG1      VAL  10  -3.239   2.786 -12.542
   92   2HG1  VAL  10          2HG1      VAL  10  -1.754   1.984 -13.053
   93   3HG1  VAL  10          3HG1      VAL  10  -1.906   3.736 -13.200
   94   1HG2  VAL  10          1HG2      VAL  10  -1.599   0.962 -10.696
   95   2HG2  VAL  10          2HG2      VAL  10  -3.099   1.809 -10.312
   96   3HG2  VAL  10          3HG2      VAL  10  -1.668   2.048  -9.309
   97    H    THR  11           H        THR  11   0.779   5.426 -10.488
   98    HA   THR  11           HA       THR  11   2.227   4.439  -8.232
   99    HB   THR  11           HB       THR  11   3.152   6.295  -9.522
  100    HG1  THR  11           HG1      THR  11   2.426   7.296  -6.955
  101   1HG2  THR  11          1HG2      THR  11   2.156   8.535  -9.437
  102   2HG2  THR  11          2HG2      THR  11   0.770   7.881  -8.559
  103   3HG2  THR  11          3HG2      THR  11   1.082   7.375 -10.218
  104    H    LEU  12           H        LEU  12   1.874   4.985  -6.052
  105    HA   LEU  12           HA       LEU  12  -0.962   5.131  -5.407
  106   1HB   LEU  12          2HB       LEU  12   0.418   3.301  -4.536
  107   2HB   LEU  12          1HB       LEU  12   1.448   4.461  -3.724
  108    HG   LEU  12           HG       LEU  12  -0.540   5.163  -2.369
  109   1HD1  LEU  12          1HD1      LEU  12  -1.781   2.702  -3.586
  110   2HD1  LEU  12          2HD1      LEU  12  -2.300   4.367  -3.850
  111   3HD1  LEU  12          3HD1      LEU  12  -2.440   3.643  -2.248
  112   1HD2  LEU  12          1HD2      LEU  12   0.381   2.303  -2.200
  113   2HD2  LEU  12          2HD2      LEU  12  -0.468   3.169  -0.919
  114   3HD2  LEU  12          3HD2      LEU  12   1.129   3.706  -1.438
  115    H    GLU  13           H        GLU  13  -1.685   6.385  -3.581
  116    HA   GLU  13           HA       GLU  13  -0.122   8.828  -3.070
  117   1HB   GLU  13          2HB       GLU  13  -2.066   9.294  -4.516
  118   2HB   GLU  13          1HB       GLU  13  -3.131   8.548  -3.334
  119   1HG   GLU  13          2HG       GLU  13  -3.329  10.895  -3.108
  120   2HG   GLU  13          1HG       GLU  13  -2.430  10.307  -1.712
  121    H    MET  14           H        MET  14   0.557   8.768  -1.011
  122    HA   MET  14           HA       MET  14  -1.285   7.844   1.077
  123   1HB   MET  14          2HB       MET  14   0.708   6.584   2.128
  124   2HB   MET  14          1HB       MET  14  -0.103   5.833   0.752
  125   1HG   MET  14          2HG       MET  14   1.660   6.688  -0.720
  126   2HG   MET  14          1HG       MET  14   2.472   7.381   0.683
  127   1HE   MET  14          1HE       MET  14   4.751   4.395  -0.326
  128   2HE   MET  14          2HE       MET  14   4.655   6.130  -0.012
  129   3HE   MET  14          3HE       MET  14   3.816   5.437  -1.401
  130    H    ALA  15           H        ALA  15   0.274   7.906   3.216
  131    HA   ALA  15           HA       ALA  15   1.822  10.363   3.284
  132   1HB   ALA  15          1HB       ALA  15  -0.489  11.088   3.773
  133   2HB   ALA  15          2HB       ALA  15   0.587  11.301   5.154
  134   3HB   ALA  15          3HB       ALA  15  -0.542   9.946   5.117
  135    H    ALA  16           H        ALA  16   0.318   7.878   5.352
  136    HA   ALA  16           HA       ALA  16   2.975   7.443   6.533
  137   1HB   ALA  16          1HB       ALA  16   1.331   8.301   8.139
  138   2HB   ALA  16          2HB       ALA  16   1.875   6.676   8.555
  139   3HB   ALA  16          3HB       ALA  16   0.295   6.913   7.809
  140    H    TYR  17           H        TYR  17   3.470   6.007   4.792
  141    HA   TYR  17           HA       TYR  17   2.233   3.481   4.517
  142   1HB   TYR  17          2HB       TYR  17   3.870   4.459   2.896
  143   2HB   TYR  17          1HB       TYR  17   5.135   4.258   4.091
  144    HD1  TYR  17           HD1      TYR  17   2.620   2.289   2.159
  145    HD2  TYR  17           HD2      TYR  17   6.429   2.343   4.055
  146    HE1  TYR  17           HE1      TYR  17   3.116   0.074   1.217
  147    HE2  TYR  17           HE2      TYR  17   6.929   0.127   3.121
  148    HH   TYR  17           HH       TYR  17   5.721  -1.824   2.263
  149    H    GLN  18           H        GLN  18   1.791   2.645   6.582
  150    HA   GLN  18           HA       GLN  18   4.014   2.246   8.429
  151   1HB   GLN  18          2HB       GLN  18   1.897   3.040   9.351
  152   2HB   GLN  18          1HB       GLN  18   1.061   1.646   8.681
  153   1HG   GLN  18          2HG       GLN  18   2.496   0.201  10.130
  154   2HG   GLN  18          1HG       GLN  18   3.092   1.675  10.896
  155   1HE2  GLN  18          1HE2      GLN  18  -0.179   1.306   9.754
  156   2HE2  GLN  18          2HE2      GLN  18  -0.930   1.270  11.312
  157    H    GLU  19           H        GLU  19   5.165   0.427   8.371
  158    HA   GLU  19           HA       GLU  19   3.938  -1.910   7.090
  159   1HB   GLU  19          2HB       GLU  19   6.111  -2.342   5.989
  160   2HB   GLU  19          1HB       GLU  19   5.360  -0.838   5.466
  161   1HG   GLU  19          2HG       GLU  19   6.827   0.404   7.000
  162   2HG   GLU  19          1HG       GLU  19   7.607  -1.110   7.454
  163    H    GLU  20           H        GLU  20   4.368  -3.848   7.912
  164    HA   GLU  20           HA       GLU  20   6.560  -4.101   9.860
  165   1HB   GLU  20          2HB       GLU  20   4.200  -4.165  10.883
  166   2HB   GLU  20          1HB       GLU  20   3.992  -5.687  10.025
  167   1HG   GLU  20          2HG       GLU  20   4.673  -5.926  12.403
  168   2HG   GLU  20          1HG       GLU  20   5.758  -6.709  11.252
  169    H    SER  21           H        SER  21   8.034  -5.089   8.728
  170    HA   SER  21           HA       SER  21   7.269  -6.562   6.362
  171   1HB   SER  21          2HB       SER  21   9.045  -4.836   6.343
  172   2HB   SER  21          1HB       SER  21  10.010  -5.837   7.424
  173    HG   SER  21           HG       SER  21  10.694  -6.233   5.356
  174    H    GLU  22           H        GLU  22   8.000  -7.465   9.586
  175    HA   GLU  22           HA       GLU  22   8.790 -10.087   8.551
  176   1HB   GLU  22          2HB       GLU  22  10.207 -10.146  10.793
  177   2HB   GLU  22          1HB       GLU  22  10.826  -9.675   9.236
  178   1HG   GLU  22          2HG       GLU  22  10.295  -7.295   9.870
  179   2HG   GLU  22          1HG       GLU  22   9.959  -7.907  11.492
  180    HA   PRO  23           HA       PRO  23   6.271 -11.831  11.304
  181   1HB   PRO  23          2HB       PRO  23   3.642 -11.090  11.126
  182   2HB   PRO  23          1HB       PRO  23   4.693 -10.563  12.444
  183   1HG   PRO  23          2HG       PRO  23   3.685  -9.043  10.120
  184   2HG   PRO  23          1HG       PRO  23   4.224  -8.457  11.700
  185   1HD   PRO  23          2HD       PRO  23   5.696  -8.454   9.260
  186   2HD   PRO  23          1HD       PRO  23   6.278  -7.994  10.872
  187    H    LYS  24           H        LYS  24   5.137 -10.027   8.618
  188    HA   LYS  24           HA       LYS  24   5.600 -11.971   6.634
  189   1HB   LYS  24          2HB       LYS  24   2.777 -10.981   7.180
  190   2HB   LYS  24          1HB       LYS  24   3.285 -11.771   5.713
  191   1HG   LYS  24          2HG       LYS  24   3.889 -13.768   7.168
  192   2HG   LYS  24          1HG       LYS  24   2.995 -12.948   8.449
  193   1HD   LYS  24          2HD       LYS  24   1.423 -14.394   7.487
  194   2HD   LYS  24          1HD       LYS  24   1.066 -12.828   6.755
  195   1HE   LYS  24          2HE       LYS  24   2.483 -13.495   4.817
  196   2HE   LYS  24          1HE       LYS  24   2.631 -15.096   5.536
  197   1HZ   LYS  24          1HZ       LYS  24   0.166 -15.250   5.441
  198   2HZ   LYS  24          2HZ       LYS  24   0.909 -15.149   3.916
  199   3HZ   LYS  24          3HZ       LYS  24   0.147 -13.788   4.577
  200    H    ARG  25           H        ARG  25   4.809 -10.561   4.440
  201    HA   ARG  25           HA       ARG  25   5.659  -7.849   4.942
  202   1HB   ARG  25          2HB       ARG  25   4.644  -9.233   2.475
  203   2HB   ARG  25          1HB       ARG  25   4.811  -7.484   2.521
  204   1HG   ARG  25          2HG       ARG  25   6.812  -8.191   1.588
  205   2HG   ARG  25          1HG       ARG  25   7.221  -7.938   3.284
  206   1HD   ARG  25          2HD       ARG  25   6.761 -10.385   3.624
  207   2HD   ARG  25          1HD       ARG  25   6.694 -10.538   1.875
  208    HE   ARG  25           HE       ARG  25   9.083  -9.376   2.236
  209   1HH1  ARG  25          1HH1      ARG  25   7.528 -12.116   3.737
  210   2HH1  ARG  25          2HH1      ARG  25   9.011 -12.942   4.109
  211   1HH2  ARG  25          1HH2      ARG  25  11.066 -10.440   2.709
  212   2HH2  ARG  25          2HH2      ARG  25  11.038 -11.971   3.532
  213    H    LYS  26           H        LYS  26   4.212  -7.115   6.502
  214    HA   LYS  26           HA       LYS  26   1.402  -6.899   5.666
  215   1HB   LYS  26          2HB       LYS  26   1.901  -7.996   7.860
  216   2HB   LYS  26          1HB       LYS  26   2.590  -6.478   8.416
  217   1HG   LYS  26          2HG       LYS  26   0.395  -5.394   8.065
  218   2HG   LYS  26          1HG       LYS  26  -0.273  -6.966   7.625
  219   1HD   LYS  26          2HD       LYS  26   0.426  -7.820   9.858
  220   2HD   LYS  26          1HD       LYS  26   0.912  -6.178  10.285
  221   1HE   LYS  26          2HE       LYS  26  -1.857  -7.118   9.561
  222   2HE   LYS  26          1HE       LYS  26  -1.292  -6.623  11.154
  223   1HZ   LYS  26          1HZ       LYS  26  -1.528  -4.884   8.754
  224   2HZ   LYS  26          2HZ       LYS  26  -0.919  -4.388  10.266
  225   3HZ   LYS  26          3HZ       LYS  26  -2.534  -4.862  10.117
  226    H    ILE  27           H        ILE  27   1.002  -5.047   4.655
  227    HA   ILE  27           HA       ILE  27   2.356  -2.642   5.670
  228    HB   ILE  27           HB       ILE  27   2.164  -1.716   3.349
  229   1HG1  ILE  27          2HG1      ILE  27   1.581  -4.605   2.636
  230   2HG1  ILE  27          1HG1      ILE  27   0.433  -3.280   2.509
  231   1HG2  ILE  27          1HG2      ILE  27   4.256  -2.564   4.247
  232   2HG2  ILE  27          2HG2      ILE  27   4.128  -2.930   2.526
  233   3HG2  ILE  27          3HG2      ILE  27   3.841  -4.196   3.721
  234   1HD1  ILE  27          1HD1      ILE  27   1.846  -2.214   0.831
  235   2HD1  ILE  27          2HD1      ILE  27   1.377  -3.845   0.345
  236   3HD1  ILE  27          3HD1      ILE  27   3.000  -3.541   0.964
  237    H    ALA  28           H        ALA  28   0.968  -1.554   6.811
  238    HA   ALA  28           HA       ALA  28  -1.764  -1.166   5.781
  239   1HB   ALA  28          1HB       ALA  28  -0.715  -0.866   8.599
  240   2HB   ALA  28          2HB       ALA  28  -1.720  -2.184   7.995
  241   3HB   ALA  28          3HB       ALA  28  -2.373  -0.549   8.086
  242    H    PHE  29           H        PHE  29  -1.555   0.605   4.482
  243    HA   PHE  29           HA       PHE  29  -0.159   2.904   5.652
  244   1HB   PHE  29          2HB       PHE  29   0.198   3.641   3.241
  245   2HB   PHE  29          1HB       PHE  29   1.147   2.277   3.811
  246    HD1  PHE  29           HD1      PHE  29  -1.558   3.342   1.576
  247    HD2  PHE  29           HD2      PHE  29   0.806   0.070   2.943
  248    HE1  PHE  29           HE1      PHE  29  -2.289   2.006  -0.353
  249    HE2  PHE  29           HE2      PHE  29   0.073  -1.267   1.015
  250    HZ   PHE  29           HZ       PHE  29  -1.474  -0.300  -0.635
  251    H    THR  30           H        THR  30  -0.963   4.944   5.361
  252    HA   THR  30           HA       THR  30  -3.839   5.053   5.113
  253    HB   THR  30           HB       THR  30  -3.149   7.609   5.565
  254    HG1  THR  30           HG1      THR  30  -1.339   6.982   7.299
  255   1HG2  THR  30          1HG2      THR  30  -3.497   7.110   7.945
  256   2HG2  THR  30          2HG2      THR  30  -3.287   5.392   7.601
  257   3HG2  THR  30          3HG2      THR  30  -4.647   6.271   6.904
  258    H    LEU  31           H        LEU  31  -4.872   5.651   3.377
  259    HA   LEU  31           HA       LEU  31  -3.350   6.907   1.230
  260   1HB   LEU  31          2HB       LEU  31  -4.531   4.767   0.764
  261   2HB   LEU  31          1HB       LEU  31  -6.050   5.555   1.134
  262    HG   LEU  31           HG       LEU  31  -4.328   6.651  -1.058
  263   1HD1  LEU  31          1HD1      LEU  31  -4.473   4.254  -1.499
  264   2HD1  LEU  31          2HD1      LEU  31  -5.443   5.173  -2.649
  265   3HD1  LEU  31          3HD1      LEU  31  -6.227   4.320  -1.319
  266   1HD2  LEU  31          1HD2      LEU  31  -6.530   7.243  -1.992
  267   2HD2  LEU  31          2HD2      LEU  31  -6.277   7.933  -0.390
  268   3HD2  LEU  31          3HD2      LEU  31  -7.308   6.515  -0.584
  269    H    ASN  32           H        ASN  32  -3.876   8.912   0.469
  270    HA   ASN  32           HA       ASN  32  -5.294  10.591   2.272
  271   1HB   ASN  32          2HB       ASN  32  -3.310  11.312   0.919
  272   2HB   ASN  32          1HB       ASN  32  -4.337  11.288  -0.510
  273   1HD2  ASN  32          1HD2      ASN  32  -3.643  12.871   2.500
  274   2HD2  ASN  32          2HD2      ASN  32  -4.545  14.316   2.180
  275    H    VAL  33           H        VAL  33  -7.417   9.991   2.382
  276    HA   VAL  33           HA       VAL  33  -8.991  10.277  -0.070
  277    HB   VAL  33           HB       VAL  33  -9.528   8.796   2.481
  278   1HG1  VAL  33          1HG1      VAL  33 -11.558  10.045   2.174
  279   2HG1  VAL  33          2HG1      VAL  33 -11.849   8.393   1.626
  280   3HG1  VAL  33          3HG1      VAL  33 -11.575   9.681   0.452
  281   1HG2  VAL  33          1HG2      VAL  33  -9.688   8.084  -0.447
  282   2HG2  VAL  33          2HG2      VAL  33 -10.042   6.990   0.890
  283   3HG2  VAL  33          3HG2      VAL  33  -8.410   7.625   0.679
  284    H    THR  34           H        THR  34  -9.520  12.310  -0.347
  285    HA   THR  34           HA       THR  34 -10.416  13.889   1.938
  286    HB   THR  34           HB       THR  34 -10.447  15.744   0.144
  287    HG1  THR  34           HG1      THR  34  -8.491  14.391  -1.255
  288   1HG2  THR  34          1HG2      THR  34  -8.763  15.593   1.913
  289   2HG2  THR  34          2HG2      THR  34  -8.037  16.121   0.394
  290   3HG2  THR  34          3HG2      THR  34  -7.831  14.456   0.938
  291    H    SER  35           H        SER  35 -12.264  15.439   1.313
  292    HA   SER  35           HA       SER  35 -14.592  14.062   1.413
  293   1HB   SER  35          2HB       SER  35 -14.448  16.381   2.032
  294   2HB   SER  35          1HB       SER  35 -14.104  16.855   0.371
  295    HG   SER  35           HG       SER  35 -16.156  16.632  -0.159
  296    H    GLU  36           H        GLU  36 -13.191  15.356  -1.632
  297    HA   GLU  36           HA       GLU  36 -15.676  14.843  -2.996
  298   1HB   GLU  36          2HB       GLU  36 -13.069  15.728  -4.221
  299   2HB   GLU  36          1HB       GLU  36 -14.685  15.911  -4.891
  300   1HG   GLU  36          2HG       GLU  36 -13.580  17.287  -2.452
  301   2HG   GLU  36          1HG       GLU  36 -13.908  18.018  -4.021
  302    H    THR  37           H        THR  37 -12.796  13.029  -2.505
  303    HA   THR  37           HA       THR  37 -13.459  11.334  -4.826
  304    HB   THR  37           HB       THR  37 -11.087  10.453  -4.505
  305    HG1  THR  37           HG1      THR  37  -9.749  11.542  -3.182
  306   1HG2  THR  37          1HG2      THR  37 -11.689  11.963  -6.331
  307   2HG2  THR  37          2HG2      THR  37 -10.077  12.329  -5.717
  308   3HG2  THR  37          3HG2      THR  37 -11.445  13.353  -5.273
  309    H    TYR  38           H        TYR  38 -14.050  11.485  -1.682
  310    HA   TYR  38           HA       TYR  38 -12.918   9.188  -0.566
  311   1HB   TYR  38          2HB       TYR  38 -13.844   9.927   1.345
  312   2HB   TYR  38          1HB       TYR  38 -14.312  11.332   0.401
  313    HD1  TYR  38           HD1      TYR  38 -16.625  11.611  -0.354
  314    HD2  TYR  38           HD2      TYR  38 -15.472   8.290   2.043
  315    HE1  TYR  38           HE1      TYR  38 -18.988  11.117   0.093
  316    HE2  TYR  38           HE2      TYR  38 -17.828   7.790   2.497
  317    HH   TYR  38           HH       TYR  38 -20.021   8.979   2.490
  318    H    HIS  39           H        HIS  39 -16.089   9.608  -2.134
  319    HA   HIS  39           HA       HIS  39 -16.929   6.985  -1.258
  320   1HB   HIS  39          2HB       HIS  39 -18.385   9.137  -1.657
  321   2HB   HIS  39          1HB       HIS  39 -18.430   8.558  -3.319
  322    HD1  HIS  39           HD1      HIS  39 -20.085   8.181  -0.104
  323    HD2  HIS  39           HD2      HIS  39 -19.561   5.836  -3.504
  324    HE1  HIS  39           HE1      HIS  39 -21.820   6.372   0.046
  325    HE2  HIS  39           HE2      HIS  39 -21.520   4.987  -2.040
  326    H    ASP  40           H        ASP  40 -15.092   8.160  -3.787
  327    HA   ASP  40           HA       ASP  40 -15.864   6.100  -5.686
  328   1HB   ASP  40          2HB       ASP  40 -15.273   8.313  -6.555
  329   2HB   ASP  40          1HB       ASP  40 -13.683   8.198  -5.807
  330    H    ILE  41           H        ILE  41 -12.897   7.100  -4.010
  331    HA   ILE  41           HA       ILE  41 -11.355   4.874  -4.705
  332    HB   ILE  41           HB       ILE  41 -11.083   6.604  -2.238
  333   1HG1  ILE  41          2HG1      ILE  41  -9.786   6.896  -4.958
  334   2HG1  ILE  41          1HG1      ILE  41 -11.125   7.877  -4.377
  335   1HG2  ILE  41          1HG2      ILE  41  -9.076   4.866  -3.664
  336   2HG2  ILE  41          2HG2      ILE  41  -9.802   4.543  -2.091
  337   3HG2  ILE  41          3HG2      ILE  41  -8.730   5.930  -2.299
  338   1HD1  ILE  41          1HD1      ILE  41  -8.397   7.744  -3.117
  339   2HD1  ILE  41          2HD1      ILE  41  -9.733   8.778  -2.612
  340   3HD1  ILE  41          3HD1      ILE  41  -8.973   9.024  -4.184
  341    H    ALA  42           H        ALA  42 -13.623   5.364  -2.066
  342    HA   ALA  42           HA       ALA  42 -12.902   3.307  -0.352
  343   1HB   ALA  42          1HB       ALA  42 -15.685   4.292  -0.964
  344   2HB   ALA  42          2HB       ALA  42 -14.565   4.997   0.203
  345   3HB   ALA  42          3HB       ALA  42 -15.199   3.373   0.462
  346    H    VAL  43           H        VAL  43 -14.415   3.084  -3.461
  347    HA   VAL  43           HA       VAL  43 -15.080   0.256  -2.991
  348    HB   VAL  43           HB       VAL  43 -15.939   2.047  -5.274
  349   1HG1  VAL  43          1HG1      VAL  43 -16.920  -0.696  -4.500
  350   2HG1  VAL  43          2HG1      VAL  43 -15.853  -0.339  -5.859
  351   3HG1  VAL  43          3HG1      VAL  43 -17.502   0.287  -5.844
  352   1HG2  VAL  43          1HG2      VAL  43 -17.477   1.137  -2.845
  353   2HG2  VAL  43          2HG2      VAL  43 -18.143   2.049  -4.199
  354   3HG2  VAL  43          3HG2      VAL  43 -16.911   2.777  -3.167
  355    H    LEU  44           H        LEU  44 -13.005   2.388  -4.756
  356    HA   LEU  44           HA       LEU  44 -12.286   0.378  -6.717
  357   1HB   LEU  44          2HB       LEU  44 -11.691   3.269  -6.329
  358   2HB   LEU  44          1HB       LEU  44 -10.603   2.318  -7.320
  359    HG   LEU  44           HG       LEU  44 -12.361   3.532  -8.610
  360   1HD1  LEU  44          1HD1      LEU  44 -12.422   0.523  -8.743
  361   2HD1  LEU  44          2HD1      LEU  44 -11.263   1.585  -9.544
  362   3HD1  LEU  44          3HD1      LEU  44 -12.961   1.613 -10.020
  363   1HD2  LEU  44          1HD2      LEU  44 -14.645   2.662  -8.570
  364   2HD2  LEU  44          2HD2      LEU  44 -14.184   3.313  -6.995
  365   3HD2  LEU  44          3HD2      LEU  44 -14.207   1.566  -7.256
  366    H    LEU  45           H        LEU  45 -10.843   1.915  -3.897
  367    HA   LEU  45           HA       LEU  45  -8.597   0.046  -4.156
  368   1HB   LEU  45          2HB       LEU  45  -8.504   2.852  -3.027
  369   2HB   LEU  45          1HB       LEU  45  -7.166   1.721  -3.062
  370    HG   LEU  45           HG       LEU  45  -8.507   2.883  -5.507
  371   1HD1  LEU  45          1HD1      LEU  45  -7.280   4.585  -4.281
  372   2HD1  LEU  45          2HD1      LEU  45  -6.432   4.159  -5.769
  373   3HD1  LEU  45          3HD1      LEU  45  -5.861   3.540  -4.221
  374   1HD2  LEU  45          1HD2      LEU  45  -6.051   1.161  -5.197
  375   2HD2  LEU  45          2HD2      LEU  45  -6.576   1.926  -6.697
  376   3HD2  LEU  45          3HD2      LEU  45  -7.579   0.689  -5.941
  377    H    TYR  46           H        TYR  46  -9.588  -1.409  -2.918
  378    HA   TYR  46           HA       TYR  46  -9.179  -1.325  -0.150
  379   1HB   TYR  46          2HB       TYR  46 -11.199   0.147  -0.203
  380   2HB   TYR  46          1HB       TYR  46 -12.104  -1.169  -0.939
  381    HD1  TYR  46           HD2      TYR  46 -10.178  -0.263   2.107
  382    HD2  TYR  46           HD1      TYR  46 -13.169  -2.764   0.405
  383    HE1  TYR  46           HE2      TYR  46 -10.713  -1.133   4.345
  384    HE2  TYR  46           HE1      TYR  46 -13.718  -3.641   2.636
  385    HH   TYR  46           HH       TYR  46 -12.656  -3.898   4.833
  386    H    GLU  47           H        GLU  47 -10.700  -2.681  -2.953
  387    HA   GLU  47           HA       GLU  47 -10.510  -5.362  -1.762
  388   1HB   GLU  47          2HB       GLU  47 -12.253  -6.049  -3.350
  389   2HB   GLU  47          1HB       GLU  47 -12.810  -4.787  -2.263
  390   1HG   GLU  47          2HG       GLU  47 -12.756  -3.152  -3.959
  391   2HG   GLU  47          1HG       GLU  47 -11.793  -4.180  -5.022
  392    H    LYS  48           H        LYS  48 -10.428  -7.047  -3.635
  393    HA   LYS  48           HA       LYS  48  -9.497  -7.972  -5.478
  394   1HB   LYS  48          2HB       LYS  48  -8.715  -5.180  -6.304
  395   2HB   LYS  48          1HB       LYS  48  -8.677  -6.615  -7.315
  396   1HG   LYS  48          2HG       LYS  48 -11.158  -6.803  -6.942
  397   2HG   LYS  48          1HG       LYS  48 -11.074  -5.198  -6.212
  398   1HD   LYS  48          2HD       LYS  48  -9.978  -4.410  -8.321
  399   2HD   LYS  48          1HD       LYS  48 -10.370  -5.980  -9.028
  400   1HE   LYS  48          2HE       LYS  48 -12.274  -3.878  -8.010
  401   2HE   LYS  48          1HE       LYS  48 -12.084  -4.444  -9.671
  402   1HZ   LYS  48          1HZ       LYS  48 -13.977  -5.515  -8.903
  403   2HZ   LYS  48          2HZ       LYS  48 -13.321  -5.829  -7.371
  404   3HZ   LYS  48          3HZ       LYS  48 -12.774  -6.702  -8.725
  405    H    THR  49           H        THR  49  -7.216  -7.635  -6.832
  406    HA   THR  49           HA       THR  49  -5.222  -7.996  -4.701
  407    HB   THR  49           HB       THR  49  -4.126  -9.615  -6.099
  408    HG1  THR  49           HG1      THR  49  -5.709  -8.455  -8.099
  409   1HG2  THR  49          1HG2      THR  49  -5.889 -11.290  -6.408
  410   2HG2  THR  49          2HG2      THR  49  -7.114 -10.027  -6.264
  411   3HG2  THR  49          3HG2      THR  49  -6.092 -10.430  -4.881
  412    H    PHE  50           H        PHE  50  -3.515  -6.654  -4.659
  413    HA   PHE  50           HA       PHE  50  -3.160  -4.888  -6.981
  414   1HB   PHE  50          2HB       PHE  50  -2.559  -4.420  -4.055
  415   2HB   PHE  50          1HB       PHE  50  -2.135  -3.298  -5.344
  416    HD1  PHE  50           HD2      PHE  50  -3.906  -2.148  -6.609
  417    HD2  PHE  50           HD1      PHE  50  -4.794  -4.557  -3.214
  418    HE1  PHE  50           HE2      PHE  50  -6.124  -1.104  -6.454
  419    HE2  PHE  50           HE1      PHE  50  -7.028  -3.519  -3.061
  420    HZ   PHE  50           HZ       PHE  50  -7.687  -1.784  -4.681
  421    H    ASN  51           H        ASN  51  -1.275  -4.901  -8.029
  422    HA   ASN  51           HA       ASN  51   0.801  -6.703  -7.147
  423   1HB   ASN  51          2HB       ASN  51   0.574  -4.931  -9.591
  424   2HB   ASN  51          1HB       ASN  51   1.985  -5.928  -9.247
  425   1HD2  ASN  51          1HD2      ASN  51  -1.267  -5.871 -10.359
  426   2HD2  ASN  51          2HD2      ASN  51  -1.361  -7.532 -10.815
  427    H    VAL  52           H        VAL  52   1.937  -5.967  -5.458
  428    HA   VAL  52           HA       VAL  52   2.458  -3.179  -5.056
  429    HB   VAL  52           HB       VAL  52   3.616  -5.551  -3.584
  430   1HG1  VAL  52          1HG1      VAL  52   3.472  -2.628  -2.842
  431   2HG1  VAL  52          2HG1      VAL  52   4.928  -3.543  -3.234
  432   3HG1  VAL  52          3HG1      VAL  52   4.015  -3.924  -1.774
  433   1HG2  VAL  52          1HG2      VAL  52   1.197  -5.577  -3.445
  434   2HG2  VAL  52          2HG2      VAL  52   1.181  -3.878  -2.976
  435   3HG2  VAL  52          3HG2      VAL  52   1.877  -5.083  -1.893
  436    H    GLU  53           H        GLU  53   3.869  -2.175  -6.302
  437    HA   GLU  53           HA       GLU  53   6.478  -3.463  -6.768
  438   1HB   GLU  53          2HB       GLU  53   5.130  -1.462  -8.589
  439   2HB   GLU  53          1HB       GLU  53   6.626  -2.330  -8.898
  440   1HG   GLU  53          2HG       GLU  53   5.366  -4.441  -8.946
  441   2HG   GLU  53          1HG       GLU  53   3.874  -3.529  -8.716
  442    H    VAL  54           H        VAL  54   8.036  -2.551  -5.784
  443    HA   VAL  54           HA       VAL  54   7.935   0.346  -5.363
  444    HB   VAL  54           HB       VAL  54   7.355  -0.650  -3.248
  445   1HG1  VAL  54          1HG1      VAL  54   8.267  -2.882  -3.591
  446   2HG1  VAL  54          2HG1      VAL  54   8.809  -2.193  -2.060
  447   3HG1  VAL  54          3HG1      VAL  54   9.902  -2.237  -3.444
  448   1HG2  VAL  54          1HG2      VAL  54  10.207   0.271  -3.264
  449   2HG2  VAL  54          2HG2      VAL  54   9.140   0.243  -1.860
  450   3HG2  VAL  54          3HG2      VAL  54   8.778   1.300  -3.224
  451    HA   PRO  55           HA       PRO  55  11.707  -0.153  -7.732
  452   1HB   PRO  55          2HB       PRO  55  11.875   2.748  -7.134
  453   2HB   PRO  55          1HB       PRO  55  11.956   1.911  -8.687
  454   1HG   PRO  55          2HG       PRO  55   9.782   3.276  -7.988
  455   2HG   PRO  55          1HG       PRO  55   9.651   1.735  -8.859
  456   1HD   PRO  55          2HD       PRO  55   9.236   2.315  -5.952
  457   2HD   PRO  55          1HD       PRO  55   8.316   1.242  -7.026
  458    H    GLU  56           H        GLU  56  11.620   1.937  -4.838
  459    HA   GLU  56           HA       GLU  56  14.317   2.059  -4.299
  460   1HB   GLU  56          2HB       GLU  56  11.983   2.029  -2.390
  461   2HB   GLU  56          1HB       GLU  56  13.632   2.332  -1.869
  462   1HG   GLU  56          2HG       GLU  56  12.854   4.461  -2.114
  463   2HG   GLU  56          1HG       GLU  56  13.560   4.187  -3.705
  464    H    ARG  57           H        ARG  57  12.197  -0.661  -3.814
  465    HA   ARG  57           HA       ARG  57  14.424  -2.093  -2.505
  466   1HB   ARG  57          2HB       ARG  57  11.488  -2.643  -2.070
  467   2HB   ARG  57          1HB       ARG  57  12.843  -3.359  -1.210
  468   1HG   ARG  57          2HG       ARG  57  13.369  -1.231  -0.191
  469   2HG   ARG  57          1HG       ARG  57  12.084  -0.447  -1.114
  470   1HD   ARG  57          2HD       ARG  57  10.485  -2.051  -0.013
  471   2HD   ARG  57          1HD       ARG  57  11.814  -2.521   1.047
  472    HE   ARG  57           HE       ARG  57  11.500   0.286   1.064
  473   1HH1  ARG  57          1HH1      ARG  57  10.037  -2.647   2.257
  474   2HH1  ARG  57          2HH1      ARG  57   9.270  -1.874   3.618
  475   1HH2  ARG  57          1HH2      ARG  57  10.455   1.324   2.835
  476   2HH2  ARG  57          2HH2      ARG  57   9.496   0.366   3.935
  477    H    ASP  58           H        ASP  58  13.094  -1.785  -5.324
  478    HA   ASP  58           HA       ASP  58  12.428  -3.011  -7.113
  479   1HB   ASP  58          2HB       ASP  58  14.020  -4.656  -7.837
  480   2HB   ASP  58          1HB       ASP  58  14.878  -3.346  -7.045
  481    H    LEU  59           H        LEU  59  10.926  -3.684  -4.689
  482    HA   LEU  59           HA       LEU  59  10.558  -6.551  -4.757
  483   1HB   LEU  59          2HB       LEU  59  10.239  -4.782  -2.761
  484   2HB   LEU  59          1HB       LEU  59   8.602  -4.782  -3.377
  485    HG   LEU  59           HG       LEU  59  10.064  -7.259  -2.443
  486   1HD1  LEU  59          1HD1      LEU  59   8.606  -7.151  -0.481
  487   2HD1  LEU  59          2HD1      LEU  59   7.964  -5.608  -1.050
  488   3HD1  LEU  59          3HD1      LEU  59   9.660  -5.736  -0.586
  489   1HD2  LEU  59          1HD2      LEU  59   8.336  -7.751  -4.086
  490   2HD2  LEU  59          2HD2      LEU  59   7.173  -6.801  -3.164
  491   3HD2  LEU  59          3HD2      LEU  59   7.836  -8.285  -2.480
  492    H    ALA  60           H        ALA  60   9.297  -7.554  -6.139
  493    HA   ALA  60           HA       ALA  60   6.903  -6.164  -7.152
  494   1HB   ALA  60          1HB       ALA  60   8.597  -6.344  -8.935
  495   2HB   ALA  60          2HB       ALA  60   7.159  -7.302  -9.288
  496   3HB   ALA  60          3HB       ALA  60   8.626  -8.093  -8.714
  497    H    PHE  61           H        PHE  61   5.373  -7.078  -5.917
  498    HA   PHE  61           HA       PHE  61   4.961  -9.947  -6.109
  499   1HB   PHE  61          2HB       PHE  61   6.419  -9.728  -4.159
  500   2HB   PHE  61          1HB       PHE  61   5.335  -8.535  -3.464
  501    HD1  PHE  61           HD1      PHE  61   5.432 -12.078  -4.595
  502    HD2  PHE  61           HD2      PHE  61   3.691  -9.194  -1.992
  503    HE1  PHE  61           HE1      PHE  61   4.226 -13.870  -3.422
  504    HE2  PHE  61           HE2      PHE  61   2.484 -10.981  -0.817
  505    HZ   PHE  61           HZ       PHE  61   2.746 -13.327  -1.528
  506    H    ARG  62           H        ARG  62   2.830 -10.491  -5.949
  507    HA   ARG  62           HA       ARG  62   0.996  -8.254  -6.064
  508   1HB   ARG  62          2HB       ARG  62   0.895 -10.160  -7.693
  509   2HB   ARG  62          1HB       ARG  62   0.355 -11.188  -6.372
  510   1HG   ARG  62          2HG       ARG  62  -1.614  -9.790  -6.074
  511   2HG   ARG  62          1HG       ARG  62  -1.063  -8.729  -7.373
  512   1HD   ARG  62          2HD       ARG  62  -2.676 -10.176  -8.318
  513   2HD   ARG  62          1HD       ARG  62  -1.107 -10.735  -8.885
  514    HE   ARG  62           HE       ARG  62  -2.580 -12.030  -6.672
  515   1HH1  ARG  62          1HH1      ARG  62  -0.589 -12.196  -9.547
  516   2HH1  ARG  62          2HH1      ARG  62  -0.549 -13.930  -9.581
  517   1HH2  ARG  62          1HH2      ARG  62  -2.541 -14.306  -6.711
  518   2HH2  ARG  62          2HH2      ARG  62  -1.660 -15.137  -7.962
  519    H    GLY  63           H        GLY  63   0.355  -7.457  -4.209
  520   1HA   GLY  63          2HA       GLY  63  -0.396  -9.320  -2.052
  521   2HA   GLY  63          1HA       GLY  63   0.149  -7.666  -1.795
  522    H    GLU  64           H        GLU  64  -2.503  -9.654  -2.073
  523    HA   GLU  64           HA       GLU  64  -4.341  -7.635  -3.033
  524   1HB   GLU  64          2HB       GLU  64  -6.068  -9.370  -2.497
  525   2HB   GLU  64          1HB       GLU  64  -4.846  -9.890  -3.644
  526   1HG   GLU  64          2HG       GLU  64  -3.708 -11.131  -1.905
  527   2HG   GLU  64          1HG       GLU  64  -4.876 -10.558  -0.713
  528    H    MET  65           H        MET  65  -5.956  -6.632  -1.771
  529    HA   MET  65           HA       MET  65  -5.193  -6.164   0.944
  530   1HB   MET  65          2HB       MET  65  -7.563  -5.259  -0.677
  531   2HB   MET  65          1HB       MET  65  -7.368  -4.850   1.021
  532   1HG   MET  65          2HG       MET  65  -5.182  -3.831   0.467
  533   2HG   MET  65          1HG       MET  65  -5.523  -4.113  -1.233
  534   1HE   MET  65          1HE       MET  65  -7.959  -3.046   1.657
  535   2HE   MET  65          2HE       MET  65  -7.928  -1.290   1.502
  536   3HE   MET  65          3HE       MET  65  -6.477  -2.157   2.006
  537    H    THR  66           H        THR  66  -5.350  -7.802   2.237
  538    HA   THR  66           HA       THR  66  -7.399  -9.763   2.156
  539    HB   THR  66           HB       THR  66  -6.285 -10.211   4.525
  540    HG1  THR  66           HG1      THR  66  -3.943  -9.339   3.819
  541   1HG2  THR  66          1HG2      THR  66  -6.048 -11.699   2.587
  542   2HG2  THR  66          2HG2      THR  66  -4.498 -11.481   3.404
  543   3HG2  THR  66          3HG2      THR  66  -4.834 -10.620   1.902
  544    H    ASN  67           H        ASN  67  -6.760  -6.911   4.010
  545    HA   ASN  67           HA       ASN  67  -7.927  -5.715   5.499
  546   1HB   ASN  67          2HB       ASN  67 -10.316  -7.283   4.525
  547   2HB   ASN  67          1HB       ASN  67 -10.394  -5.854   5.544
  548   1HD2  ASN  67          1HD2      ASN  67  -8.169  -4.573   4.061
  549   2HD2  ASN  67          2HD2      ASN  67  -8.870  -4.041   2.574
  550    H    TYR  68           H        TYR  68  -9.064  -5.854   7.631
  551    HA   TYR  68           HA       TYR  68  -9.364  -8.547   8.671
  552   1HB   TYR  68          2HB       TYR  68  -6.951  -7.796   9.049
  553   2HB   TYR  68          1HB       TYR  68  -7.609  -6.616  10.181
  554    HD1  TYR  68           HD2      TYR  68  -7.155 -10.202   9.511
  555    HD2  TYR  68           HD1      TYR  68  -8.404  -7.295  12.354
  556    HE1  TYR  68           HE2      TYR  68  -7.169 -11.929  11.259
  557    HE2  TYR  68           HE1      TYR  68  -8.422  -9.015  14.114
  558    HH   TYR  68           HH       TYR  68  -8.652 -11.517  14.237
  559    H    SER  69           H        SER  69  -9.198  -5.166   9.817
  560    HA   SER  69           HA       SER  69 -11.573  -5.709  11.440
  561   1HB   SER  69          2HB       SER  69 -10.896  -3.454  12.497
  562   2HB   SER  69          1HB       SER  69  -9.862  -4.849  12.809
  563    HG   SER  69           HG       SER  69  -9.005  -2.623  11.984
  564    H    THR  70           H        THR  70 -13.184  -3.944  11.635
  565    HA   THR  70           HA       THR  70 -13.837  -2.876   9.015
  566    HB   THR  70           HB       THR  70 -15.395  -2.657  11.608
  567    HG1  THR  70           HG1      THR  70 -16.597  -4.343  10.034
  568   1HG2  THR  70          1HG2      THR  70 -17.312  -2.242  10.115
  569   2HG2  THR  70          2HG2      THR  70 -16.223  -2.265   8.728
  570   3HG2  THR  70          3HG2      THR  70 -16.067  -1.003   9.950
  571    H    SER  71           H        SER  71 -13.081  -0.939   8.420
  572    HA   SER  71           HA       SER  71 -13.104   1.251  10.292
  573   1HB   SER  71          2HB       SER  71 -10.520   0.312   9.070
  574   2HB   SER  71          1HB       SER  71 -10.728   1.803   9.992
  575    HG   SER  71           HG       SER  71 -11.731  -0.220  11.404
  576    H    LEU  72           H        LEU  72 -12.024   0.201   7.086
  577    HA   LEU  72           HA       LEU  72 -12.219   1.082   5.009
  578   1HB   LEU  72          2HB       LEU  72 -14.626   1.106   5.618
  579   2HB   LEU  72          1HB       LEU  72 -14.436   2.750   6.192
  580    HG   LEU  72           HG       LEU  72 -13.789   3.429   3.876
  581   1HD1  LEU  72          1HD1      LEU  72 -13.008   1.273   3.074
  582   2HD1  LEU  72          2HD1      LEU  72 -14.289   1.904   2.040
  583   3HD1  LEU  72          3HD1      LEU  72 -14.642   0.619   3.196
  584   1HD2  LEU  72          1HD2      LEU  72 -16.057   3.762   4.666
  585   2HD2  LEU  72          2HD2      LEU  72 -16.485   2.117   4.200
  586   3HD2  LEU  72          3HD2      LEU  72 -16.068   3.303   2.963
  587    H    THR  73           H        THR  73 -13.273   4.117   6.499
  588    HA   THR  73           HA       THR  73 -10.905   5.409   5.353
  589    HB   THR  73           HB       THR  73 -12.363   7.487   6.217
  590    HG1  THR  73           HG1      THR  73 -14.519   7.050   6.160
  591   1HG2  THR  73          1HG2      THR  73 -13.298   7.666   3.956
  592   2HG2  THR  73          2HG2      THR  73 -12.893   5.978   3.655
  593   3HG2  THR  73          3HG2      THR  73 -11.607   7.160   3.909
  594    H    ASN  74           H        ASN  74 -11.747   4.083   8.221
  595    HA   ASN  74           HA       ASN  74 -10.511   6.179   9.852
  596   1HB   ASN  74          2HB       ASN  74 -12.619   5.233  10.693
  597   2HB   ASN  74          1HB       ASN  74 -11.887   3.629  10.723
  598   1HD2  ASN  74          1HD2      ASN  74 -12.066   3.309  12.898
  599   2HD2  ASN  74          2HD2      ASN  74 -11.161   4.220  14.072
  600    H    LEU  75           H        LEU  75  -8.443   6.088  10.191
  601    HA   LEU  75           HA       LEU  75  -7.150   3.707  11.115
  602   1HB   LEU  75          2HB       LEU  75  -7.030   3.446   8.626
  603   2HB   LEU  75          1HB       LEU  75  -6.153   4.960   8.544
  604    HG   LEU  75           HG       LEU  75  -4.295   3.992   9.793
  605   1HD1  LEU  75          1HD1      LEU  75  -4.268   1.618  10.365
  606   2HD1  LEU  75          2HD1      LEU  75  -5.935   1.461   9.813
  607   3HD1  LEU  75          3HD1      LEU  75  -5.561   2.466  11.213
  608   1HD2  LEU  75          1HD2      LEU  75  -4.311   3.756   7.358
  609   2HD2  LEU  75          2HD2      LEU  75  -5.182   2.230   7.507
  610   3HD2  LEU  75          3HD2      LEU  75  -3.537   2.371   8.129
  611    H    TYR  76           H        TYR  76  -6.925   6.964   9.886
  612    HA   TYR  76           HA       TYR  76  -5.922   7.872  12.419
  613   1HB   TYR  76          2HB       TYR  76  -3.789   7.423  11.384
  614   2HB   TYR  76          1HB       TYR  76  -4.295   8.184   9.883
  615    HD1  TYR  76           HD2      TYR  76  -4.298   9.234  13.477
  616    HD2  TYR  76           HD1      TYR  76  -3.145  10.124   9.482
  617    HE1  TYR  76           HE2      TYR  76  -3.359  11.379  14.230
  618    HE2  TYR  76           HE1      TYR  76  -2.203  12.269  10.221
  619    HH   TYR  76           HH       TYR  76  -1.885  13.067  13.597
  620    H    GLU  77           H        GLU  77  -7.910   8.951  12.522
  621    HA   GLU  77           HA       GLU  77  -8.576  10.782  10.345
  622   1HB   GLU  77          2HB       GLU  77 -10.383   9.406  11.251
  623   2HB   GLU  77          1HB       GLU  77 -10.104  10.068  12.856
  624   1HG   GLU  77          2HG       GLU  77 -10.667  12.323  11.935
  625   2HG   GLU  77          1HG       GLU  77 -11.136  11.524  10.435
  626    HA   PRO  78           HA       PRO  78  -6.746  14.041  12.895
  627   1HB   PRO  78          2HB       PRO  78  -6.531  15.565  10.452
  628   2HB   PRO  78          1HB       PRO  78  -5.235  14.866  11.422
  629   1HG   PRO  78          2HG       PRO  78  -5.895  14.004   8.907
  630   2HG   PRO  78          1HG       PRO  78  -5.109  12.987  10.128
  631   1HD   PRO  78          2HD       PRO  78  -7.993  13.115   9.331
  632   2HD   PRO  78          1HD       PRO  78  -6.989  11.697   9.711
  633    H    GLY  79           H        GLY  79  -9.272  14.123  10.472
  634   1HA   GLY  79          2HA       GLY  79 -11.298  15.218  11.744
  635   2HA   GLY  79          1HA       GLY  79 -10.310  16.650  11.499
  636    H    ALA  80           H        ALA  80 -10.038  17.476   9.412
  637    HA   ALA  80           HA       ALA  80 -12.390  17.097   7.801
  638   1HB   ALA  80          1HB       ALA  80 -11.567  19.008   6.532
  639   2HB   ALA  80          2HB       ALA  80 -10.030  18.923   7.395
  640   3HB   ALA  80          3HB       ALA  80 -11.510  19.319   8.268
  641    H    VAL  81           H        VAL  81 -10.254  14.938   7.814
  642    HA   VAL  81           HA       VAL  81 -10.371  14.411   4.985
  643    HB   VAL  81           HB       VAL  81  -8.328  15.770   5.093
  644   1HG1  VAL  81          1HG1      VAL  81  -6.343  14.936   6.280
  645   2HG1  VAL  81          2HG1      VAL  81  -7.332  13.673   7.013
  646   3HG1  VAL  81          3HG1      VAL  81  -7.655  15.369   7.375
  647   1HG2  VAL  81          1HG2      VAL  81  -6.785  14.175   4.026
  648   2HG2  VAL  81          2HG2      VAL  81  -8.434  14.021   3.425
  649   3HG2  VAL  81          3HG2      VAL  81  -7.805  12.844   4.577
  650    H    SER  82           H        SER  82 -10.197  12.221   4.528
  651    HA   SER  82           HA       SER  82 -10.171  10.493   6.896
  652   1HB   SER  82          2HB       SER  82 -11.212   9.881   4.108
  653   2HB   SER  82          1HB       SER  82 -11.419   8.885   5.547
  654    HG   SER  82           HG       SER  82 -12.401  11.547   5.285
  655    H    GLU  83           H        GLU  83  -7.973  10.106   7.158
  656    HA   GLU  83           HA       GLU  83  -6.294   9.176   5.069
  657   1HB   GLU  83          2HB       GLU  83  -6.127   8.780   8.064
  658   2HB   GLU  83          1HB       GLU  83  -4.870   8.299   6.935
  659   1HG   GLU  83          2HG       GLU  83  -5.847  11.106   7.393
  660   2HG   GLU  83          1HG       GLU  83  -4.354  10.412   8.021
  661    H    PHE  84           H        PHE  84  -6.802   7.447   3.920
  662    HA   PHE  84           HA       PHE  84  -8.824   5.671   4.729
  663   1HB   PHE  84          2HB       PHE  84  -7.865   6.389   2.337
  664   2HB   PHE  84          1HB       PHE  84  -7.037   4.844   2.516
  665    HD1  PHE  84           HD2      PHE  84 -10.375   6.402   2.735
  666    HD2  PHE  84           HD1      PHE  84  -8.154   2.867   1.971
  667    HE1  PHE  84           HE2      PHE  84 -12.433   5.289   2.044
  668    HE2  PHE  84           HE1      PHE  84 -10.218   1.721   1.268
  669    HZ   PHE  84           HZ       PHE  84 -12.366   2.930   1.299
  670    H    TYR  85           H        TYR  85  -8.848   3.594   5.271
  671    HA   TYR  85           HA       TYR  85  -6.475   2.570   6.575
  672   1HB   TYR  85          2HB       TYR  85  -8.372   2.493   7.942
  673   2HB   TYR  85          1HB       TYR  85  -9.416   1.978   6.631
  674    HD1  TYR  85           HD1      TYR  85  -6.369   0.623   8.384
  675    HD2  TYR  85           HD2      TYR  85 -10.281  -0.083   6.863
  676    HE1  TYR  85           HE1      TYR  85  -6.281  -1.695   9.220
  677    HE2  TYR  85           HE2      TYR  85 -10.212  -2.377   7.695
  678    HH   TYR  85           HH       TYR  85  -8.080  -3.476   9.918
  679    H    ILE  86           H        ILE  86  -5.286   2.089   4.657
  680    HA   ILE  86           HA       ILE  86  -6.317  -0.164   3.093
  681    HB   ILE  86           HB       ILE  86  -3.803   1.456   2.649
  682   1HG1  ILE  86          2HG1      ILE  86  -5.946   2.706   2.276
  683   2HG1  ILE  86          1HG1      ILE  86  -4.965   2.525   0.825
  684   1HG2  ILE  86          1HG2      ILE  86  -3.622  -0.821   1.825
  685   2HG2  ILE  86          2HG2      ILE  86  -3.735   0.313   0.479
  686   3HG2  ILE  86          3HG2      ILE  86  -5.142  -0.642   0.948
  687   1HD1  ILE  86          1HD1      ILE  86  -7.364   0.848   1.533
  688   2HD1  ILE  86          2HD1      ILE  86  -6.405   0.729   0.057
  689   3HD1  ILE  86          3HD1      ILE  86  -7.342   2.186   0.385
  690    H    GLU  87           H        GLU  87  -6.082  -1.897   4.402
  691    HA   GLU  87           HA       GLU  87  -3.439  -2.399   5.557
  692   1HB   GLU  87          2HB       GLU  87  -5.772  -2.532   6.815
  693   2HB   GLU  87          1HB       GLU  87  -5.802  -4.142   6.110
  694   1HG   GLU  87          2HG       GLU  87  -3.665  -3.029   7.902
  695   2HG   GLU  87          1HG       GLU  87  -4.911  -4.177   8.364
  696    H    ILE  88           H        ILE  88  -2.134  -3.631   4.390
  697    HA   ILE  88           HA       ILE  88  -3.329  -5.898   2.957
  698    HB   ILE  88           HB       ILE  88  -0.877  -4.359   2.066
  699   1HG1  ILE  88          2HG1      ILE  88  -3.622  -4.463   0.812
  700   2HG1  ILE  88          1HG1      ILE  88  -2.995  -3.102   1.735
  701   1HG2  ILE  88          1HG2      ILE  88  -1.044  -5.745   0.038
  702   2HG2  ILE  88          2HG2      ILE  88  -2.370  -6.644   0.778
  703   3HG2  ILE  88          3HG2      ILE  88  -0.754  -6.710   1.485
  704   1HD1  ILE  88          1HD1      ILE  88  -2.849  -2.718  -0.666
  705   2HD1  ILE  88          2HD1      ILE  88  -1.848  -4.160  -0.840
  706   3HD1  ILE  88          3HD1      ILE  88  -1.248  -2.774   0.072
  707    H    THR  89           H        THR  89  -2.904  -7.156   4.907
  708    HA   THR  89           HA       THR  89  -0.174  -7.698   5.566
  709    HB   THR  89           HB       THR  89  -2.095  -8.154   7.139
  710    HG1  THR  89           HG1      THR  89  -1.072 -10.592   7.245
  711   1HG2  THR  89          1HG2      THR  89  -3.653  -9.193   5.589
  712   2HG2  THR  89          2HG2      THR  89  -3.284 -10.285   6.924
  713   3HG2  THR  89          3HG2      THR  89  -2.537 -10.538   5.346
  714    H    GLU  90           H        GLU  90   1.112  -9.350   4.847
  715    HA   GLU  90           HA       GLU  90   1.113 -10.062   2.221
  716   1HB   GLU  90          2HB       GLU  90   2.979 -10.378   3.845
  717   2HB   GLU  90          1HB       GLU  90   2.142 -11.786   4.477
  718   1HG   GLU  90          2HG       GLU  90   2.294 -12.816   2.221
  719   2HG   GLU  90          1HG       GLU  90   3.284 -11.445   1.718
  720    H    ILE  91           H        ILE  91  -0.055 -11.343   0.972
  721    HA   ILE  91           HA       ILE  91  -2.360 -12.644   1.717
  722    HB   ILE  91           HB       ILE  91  -1.777 -12.083  -0.616
  723   1HG1  ILE  91          2HG1      ILE  91  -2.638 -14.865   0.109
  724   2HG1  ILE  91          1HG1      ILE  91  -3.613 -13.508  -0.461
  725   1HG2  ILE  91          1HG2      ILE  91   0.551 -12.767  -0.635
  726   2HG2  ILE  91          2HG2      ILE  91  -0.339 -13.575  -1.925
  727   3HG2  ILE  91          3HG2      ILE  91   0.075 -14.455  -0.453
  728   1HD1  ILE  91          1HD1      ILE  91  -3.438 -15.239  -2.146
  729   2HD1  ILE  91          2HD1      ILE  91  -1.678 -15.127  -2.104
  730   3HD1  ILE  91          3HD1      ILE  91  -2.635 -13.764  -2.685
  731    H    ASP  92           H        ASP  92  -2.896 -14.749   2.296
  732    HA   ASP  92           HA       ASP  92  -0.658 -16.250   3.389
  733   1HB   ASP  92          2HB       ASP  92  -3.614 -16.400   3.888
  734   2HB   ASP  92          1HB       ASP  92  -2.513 -17.636   4.472
  735    H    LYS  93           H        LYS  93  -0.776 -18.582   3.373
  736    HA   LYS  93           HA       LYS  93  -1.346 -19.522   0.669
  737   1HB   LYS  93          2HB       LYS  93   0.020 -21.493   1.349
  738   2HB   LYS  93          1HB       LYS  93   0.885 -19.968   1.405
  739   1HG   LYS  93          2HG       LYS  93   0.215 -19.975   3.910
  740   2HG   LYS  93          1HG       LYS  93  -0.037 -21.702   3.648
  741   1HD   LYS  93          2HD       LYS  93   2.217 -21.309   4.461
  742   2HD   LYS  93          1HD       LYS  93   2.275 -21.878   2.789
  743   1HE   LYS  93          2HE       LYS  93   2.441 -19.495   2.069
  744   2HE   LYS  93          1HE       LYS  93   2.572 -19.041   3.767
  745   1HZ   LYS  93          1HZ       LYS  93   4.445 -20.850   2.329
  746   2HZ   LYS  93          2HZ       LYS  93   4.593 -20.334   3.940
  747   3HZ   LYS  93          3HZ       LYS  93   4.735 -19.217   2.676
  748    H    ASN  94           H        ASN  94  -2.878 -19.170   3.309
  749    HA   ASN  94           HA       ASN  94  -4.362 -21.684   3.368
  750   1HB   ASN  94          2HB       ASN  94  -3.721 -20.483   5.499
  751   2HB   ASN  94          1HB       ASN  94  -4.807 -19.185   5.023
  752   1HD2  ASN  94          1HD2      ASN  94  -5.386 -22.613   4.527
  753   2HD2  ASN  94          2HD2      ASN  94  -6.731 -22.728   5.608
  754    H    ALA  95           H        ALA  95  -4.242 -19.138   1.432
  755    HA   ALA  95           HA       ALA  95  -6.865 -18.151   1.220
  756   1HB   ALA  95          1HB       ALA  95  -4.787 -18.438  -0.953
  757   2HB   ALA  95          2HB       ALA  95  -4.946 -17.069   0.146
  758   3HB   ALA  95          3HB       ALA  95  -6.223 -17.414  -1.020
  759    H    ASP  96           H        ASP  96  -5.316 -21.032  -0.018
  760    HA   ASP  96           HA       ASP  96  -7.886 -21.869  -1.170
  761   1HB   ASP  96          2HB       ASP  96  -6.056 -21.978  -2.773
  762   2HB   ASP  96          1HB       ASP  96  -5.114 -22.975  -1.677
  763    H    SER  97           H        SER  97  -8.407 -24.122  -0.897
  764    HA   SER  97           HA       SER  97  -7.341 -25.647   1.259
  765   1HB   SER  97          2HB       SER  97  -8.556 -23.852   2.530
  766   2HB   SER  97          1HB       SER  97 -10.049 -24.355   1.737
  767    HG   SER  97           HG       SER  97  -9.461 -26.523   2.665
  768    H    LEU  98           H        LEU  98  -8.090 -25.825  -1.541
  769    HA   LEU  98           HA       LEU  98 -10.488 -27.490  -1.526
  770   1HB   LEU  98          2HB       LEU  98  -8.922 -26.259  -3.787
  771   2HB   LEU  98          1HB       LEU  98 -10.319 -27.295  -4.013
  772    HG   LEU  98           HG       LEU  98 -10.313 -24.602  -2.641
  773   1HD1  LEU  98          1HD1      LEU  98 -11.498 -25.471  -5.276
  774   2HD1  LEU  98          2HD1      LEU  98 -10.056 -24.475  -5.074
  775   3HD1  LEU  98          3HD1      LEU  98 -11.628 -23.868  -4.552
  776   1HD2  LEU  98          1HD2      LEU  98 -11.936 -26.094  -1.619
  777   2HD2  LEU  98          2HD2      LEU  98 -12.579 -26.514  -3.207
  778   3HD2  LEU  98          3HD2      LEU  98 -12.755 -24.871  -2.589
  779    H    GLU  99           H        GLU  99  -7.565 -28.084  -0.794
  780    HA   GLU  99           HA       GLU  99  -7.124 -30.426  -2.469
  781   1HB   GLU  99          2HB       GLU  99  -5.185 -29.026  -1.874
  782   2HB   GLU  99          1HB       GLU  99  -5.497 -29.309  -0.170
  783   1HG   GLU  99          2HG       GLU  99  -5.004 -31.630  -1.982
  784   2HG   GLU  99          1HG       GLU  99  -3.648 -30.649  -1.426
  785    H    HIS 100           H        HIS 100  -7.038 -29.879   1.058
  786    HA   HIS 100           HA       HIS 100  -8.184 -32.526   1.439
  787   1HB   HIS 100          2HB       HIS 100  -6.282 -31.883   2.851
  788   2HB   HIS 100          1HB       HIS 100  -7.195 -30.508   3.468
  789    HD1  HIS 100           HD1      HIS 100  -8.484 -30.908   5.544
  790    HD2  HIS 100           HD2      HIS 100  -7.566 -34.451   3.573
  791    HE1  HIS 100           HE1      HIS 100  -9.267 -32.752   7.067
  792    HE2  HIS 100           HE2      HIS 100  -8.665 -34.891   5.876
  793    H    HIS 101           H        HIS 101 -10.227 -32.077   0.583
  794    HA   HIS 101           HA       HIS 101 -12.006 -30.150   1.546
  795   1HB   HIS 101          2HB       HIS 101 -13.792 -31.574   0.628
  796   2HB   HIS 101          1HB       HIS 101 -12.453 -31.417  -0.497
  797    HD1  HIS 101           HD1      HIS 101 -14.730 -33.821   0.093
  798    HD2  HIS 101           HD2      HIS 101 -10.587 -33.893   0.479
  799    HE1  HIS 101           HE1      HIS 101 -14.071 -36.249  -0.033
  800    HE2  HIS 101           HE2      HIS 101 -11.553 -36.250   0.071
  801    H    HIS 102           H        HIS 102 -12.992 -29.906   3.422
  802    HA   HIS 102           HA       HIS 102 -13.242 -32.250   5.184
  803   1HB   HIS 102          2HB       HIS 102 -12.669 -30.837   7.121
  804   2HB   HIS 102          1HB       HIS 102 -11.340 -30.940   5.974
  805    HD1  HIS 102           HD1      HIS 102 -10.291 -28.766   5.386
  806    HD2  HIS 102           HD2      HIS 102 -14.168 -28.288   6.811
  807    HE1  HIS 102           HE1      HIS 102 -10.668 -26.281   5.517
  808    HE2  HIS 102           HE2      HIS 102 -12.920 -26.037   6.637
  809    H    HIS 103           H        HIS 103 -14.911 -32.040   6.840
  810    HA   HIS 103           HA       HIS 103 -17.221 -30.625   5.736
  811   1HB   HIS 103          2HB       HIS 103 -16.977 -32.747   7.874
  812   2HB   HIS 103          1HB       HIS 103 -18.495 -31.956   7.468
  813    HD1  HIS 103           HD1      HIS 103 -19.775 -32.842   5.497
  814    HD2  HIS 103           HD2      HIS 103 -15.922 -34.400   5.757
  815    HE1  HIS 103           HE1      HIS 103 -19.664 -34.679   3.785
  816    HE2  HIS 103           HE2      HIS 103 -17.389 -35.725   4.088
  817    H    HIS 104           H        HIS 104 -15.152 -30.603   8.565
  818    HA   HIS 104           HA       HIS 104 -16.961 -28.676   9.846
  819   1HB   HIS 104          2HB       HIS 104 -14.997 -30.644  10.972
  820   2HB   HIS 104          1HB       HIS 104 -15.507 -29.249  11.918
  821    HD1  HIS 104           HD1      HIS 104 -17.710 -29.395  13.089
  822    HD2  HIS 104           HD2      HIS 104 -17.170 -32.445  10.313
  823    HE1  HIS 104           HE1      HIS 104 -19.633 -30.982  13.440
  824    HE2  HIS 104           HE2      HIS 104 -19.373 -32.736  11.649
  825    H    HIS 105           H        HIS 105 -16.442 -26.669   9.627
  826    HA   HIS 105           HA       HIS 105 -15.339 -24.702   9.711
  827   1HB   HIS 105          2HB       HIS 105 -14.850 -25.752  12.003
  828   2HB   HIS 105          1HB       HIS 105 -13.236 -26.069  11.373
  829    HD1  HIS 105           HD1      HIS 105 -11.753 -23.961  10.826
  830    HD2  HIS 105           HD2      HIS 105 -15.333 -23.158  12.777
  831    HE1  HIS 105           HE1      HIS 105 -11.560 -21.591  11.650
  832    HE2  HIS 105           HE2      HIS 105 -13.661 -21.198  12.986
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  10.763   6.630   5.290
    2   2H    MET   1          2H        MET   1  10.854   6.036   3.704
    3   3H    MET   1          3H        MET   1   9.963   5.194   4.875
    4    HA   MET   1           HA       MET   1   8.477   7.122   5.081
    5   1HB   MET   1          2HB       MET   1  10.124   8.056   2.730
    6   2HB   MET   1          1HB       MET   1   8.542   8.718   3.119
    7   1HG   MET   1          2HG       MET   1  10.963   8.786   4.906
    8   2HG   MET   1          1HG       MET   1  10.345  10.128   3.944
    9   1HE   MET   1          1HE       MET   1   9.465  11.264   7.566
   10   2HE   MET   1          2HE       MET   1  10.283  11.676   6.061
   11   3HE   MET   1          3HE       MET   1  10.900  10.369   7.072
   12    H    VAL   2           H        VAL   2   9.643   5.968   1.923
   13    HA   VAL   2           HA       VAL   2   8.618   4.922   0.200
   14    HB   VAL   2           HB       VAL   2   6.610   3.978   2.258
   15   1HG1  VAL   2          1HG1      VAL   2   6.148   2.176   0.659
   16   2HG1  VAL   2          2HG1      VAL   2   7.254   2.924  -0.495
   17   3HG1  VAL   2          3HG1      VAL   2   5.776   3.761  -0.019
   18   1HG2  VAL   2          1HG2      VAL   2   7.938   1.925   2.344
   19   2HG2  VAL   2          2HG2      VAL   2   8.891   3.323   2.848
   20   3HG2  VAL   2          3HG2      VAL   2   9.115   2.636   1.238
   21    H    LYS   3           H        LYS   3   8.079   6.791  -0.879
   22    HA   LYS   3           HA       LYS   3   5.293   7.699  -0.533
   23   1HB   LYS   3          2HB       LYS   3   7.073   9.385  -0.039
   24   2HB   LYS   3          1HB       LYS   3   7.613   9.240  -1.705
   25   1HG   LYS   3          2HG       LYS   3   5.565  10.155  -2.524
   26   2HG   LYS   3          1HG       LYS   3   4.845  10.109  -0.915
   27   1HD   LYS   3          2HD       LYS   3   7.346  11.675  -1.429
   28   2HD   LYS   3          1HD       LYS   3   5.764  12.349  -1.817
   29   1HE   LYS   3          2HE       LYS   3   6.490  13.066   0.391
   30   2HE   LYS   3          1HE       LYS   3   5.059  12.045   0.503
   31   1HZ   LYS   3          1HZ       LYS   3   7.838  11.087   0.958
   32   2HZ   LYS   3          2HZ       LYS   3   6.407  10.215   1.219
   33   3HZ   LYS   3          3HZ       LYS   3   6.771  11.551   2.191
   34    H    THR   4           H        THR   4   7.650   6.361  -2.618
   35    HA   THR   4           HA       THR   4   5.965   6.708  -4.982
   36    HB   THR   4           HB       THR   4   8.596   5.264  -4.983
   37    HG1  THR   4           HG1      THR   4   9.043   7.200  -3.895
   38   1HG2  THR   4          1HG2      THR   4   7.241   5.309  -7.031
   39   2HG2  THR   4          2HG2      THR   4   8.741   6.213  -7.234
   40   3HG2  THR   4          3HG2      THR   4   7.221   7.072  -6.976
   41    H    LEU   5           H        LEU   5   4.276   5.298  -4.461
   42    HA   LEU   5           HA       LEU   5   4.966   2.452  -4.667
   43   1HB   LEU   5          2HB       LEU   5   4.484   2.962  -2.316
   44   2HB   LEU   5          1HB       LEU   5   2.939   3.651  -2.771
   45    HG   LEU   5           HG       LEU   5   2.188   1.432  -3.542
   46   1HD1  LEU   5          1HD1      LEU   5   4.827   0.486  -2.441
   47   2HD1  LEU   5          2HD1      LEU   5   4.351   0.491  -4.141
   48   3HD1  LEU   5          3HD1      LEU   5   3.507  -0.549  -2.990
   49   1HD2  LEU   5          1HD2      LEU   5   1.688   2.132  -1.271
   50   2HD2  LEU   5          2HD2      LEU   5   3.239   1.498  -0.717
   51   3HD2  LEU   5          3HD2      LEU   5   2.002   0.397  -1.325
   52    H    ARG   6           H        ARG   6   3.641   1.262  -5.954
   53    HA   ARG   6           HA       ARG   6   1.256   2.571  -7.074
   54   1HB   ARG   6          2HB       ARG   6   3.105   2.890  -8.648
   55   2HB   ARG   6          1HB       ARG   6   3.433   1.165  -8.633
   56   1HG   ARG   6          2HG       ARG   6   1.207   0.766  -9.615
   57   2HG   ARG   6          1HG       ARG   6   0.961   2.511  -9.698
   58   1HD   ARG   6          2HD       ARG   6   3.216   1.023 -11.030
   59   2HD   ARG   6          1HD       ARG   6   1.731   1.515 -11.839
   60    HE   ARG   6           HE       ARG   6   2.391   3.827 -11.468
   61   1HH1  ARG   6          1HH1      ARG   6   4.869   1.377 -11.041
   62   2HH1  ARG   6          2HH1      ARG   6   6.184   2.485 -11.292
   63   1HH2  ARG   6          1HH2      ARG   6   4.125   5.288 -11.806
   64   2HH2  ARG   6          2HH2      ARG   6   5.768   4.712 -11.723
   65    H    LEU   7           H        LEU   7  -0.465   1.297  -7.074
   66    HA   LEU   7           HA       LEU   7  -0.103  -1.582  -6.627
   67   1HB   LEU   7          2HB       LEU   7  -2.597   0.122  -6.427
   68   2HB   LEU   7          1HB       LEU   7  -2.509  -1.594  -6.081
   69    HG   LEU   7           HG       LEU   7  -1.071   0.574  -4.545
   70   1HD1  LEU   7          1HD1      LEU   7  -3.478   0.619  -4.189
   71   2HD1  LEU   7          2HD1      LEU   7  -2.637   0.040  -2.751
   72   3HD1  LEU   7          3HD1      LEU   7  -3.466  -1.103  -3.808
   73   1HD2  LEU   7          1HD2      LEU   7  -0.536  -1.231  -2.964
   74   2HD2  LEU   7          2HD2      LEU   7   0.184  -1.506  -4.552
   75   3HD2  LEU   7          3HD2      LEU   7  -1.257  -2.402  -4.069
   76    H    ASN   8           H        ASN   8  -0.080  -2.785  -8.376
   77    HA   ASN   8           HA       ASN   8  -0.064  -3.335 -10.555
   78   1HB   ASN   8          2HB       ASN   8  -2.306  -3.478 -11.680
   79   2HB   ASN   8          1HB       ASN   8  -2.189  -4.283 -10.131
   80   1HD2  ASN   8          1HD2      ASN   8  -3.478  -3.624  -8.454
   81   2HD2  ASN   8          2HD2      ASN   8  -4.724  -2.438  -8.630
   82    H    ASN   9           H        ASN   9  -2.553  -1.011 -11.395
   83    HA   ASN   9           HA       ASN   9  -0.524   0.389 -13.015
   84   1HB   ASN   9          2HB       ASN   9  -2.190  -0.763 -14.368
   85   2HB   ASN   9          1HB       ASN   9  -3.495   0.005 -13.475
   86   1HD2  ASN   9          1HD2      ASN   9  -0.977   0.466 -15.833
   87   2HD2  ASN   9          2HD2      ASN   9  -1.577   1.963 -16.466
   88    H    VAL  10           H        VAL  10  -2.187   0.701 -10.240
   89    HA   VAL  10           HA       VAL  10  -3.028   3.481 -10.661
   90    HB   VAL  10           HB       VAL  10  -3.689   1.715  -8.302
   91   1HG1  VAL  10          1HG1      VAL  10  -3.970   4.098  -7.919
   92   2HG1  VAL  10          2HG1      VAL  10  -5.538   3.292  -7.988
   93   3HG1  VAL  10          3HG1      VAL  10  -4.966   4.229  -9.368
   94   1HG2  VAL  10          1HG2      VAL  10  -5.261   2.096 -10.848
   95   2HG2  VAL  10          2HG2      VAL  10  -5.876   1.323  -9.388
   96   3HG2  VAL  10          3HG2      VAL  10  -4.532   0.596 -10.270
   97    H    THR  11           H        THR  11  -1.332   4.788 -10.226
   98    HA   THR  11           HA       THR  11   0.623   4.380  -8.263
   99    HB   THR  11           HB       THR  11   0.999   6.040  -9.971
  100    HG1  THR  11           HG1      THR  11   1.540   7.864  -8.625
  101   1HG2  THR  11          1HG2      THR  11  -1.296   6.723 -10.379
  102   2HG2  THR  11          2HG2      THR  11  -0.280   8.133 -10.079
  103   3HG2  THR  11          3HG2      THR  11  -1.353   7.532  -8.813
  104    H    LEU  12           H        LEU  12   0.699   4.901  -6.081
  105    HA   LEU  12           HA       LEU  12  -1.976   5.320  -4.928
  106   1HB   LEU  12          2HB       LEU  12  -0.947   3.105  -4.576
  107   2HB   LEU  12          1HB       LEU  12   0.402   3.877  -3.766
  108    HG   LEU  12           HG       LEU  12  -1.181   4.709  -2.027
  109   1HD1  LEU  12          1HD1      LEU  12  -3.396   3.734  -1.881
  110   2HD1  LEU  12          2HD1      LEU  12  -3.141   2.880  -3.402
  111   3HD1  LEU  12          3HD1      LEU  12  -3.223   4.643  -3.385
  112   1HD2  LEU  12          1HD2      LEU  12  -1.421   2.560  -0.909
  113   2HD2  LEU  12          2HD2      LEU  12   0.153   2.686  -1.694
  114   3HD2  LEU  12          3HD2      LEU  12  -1.127   1.722  -2.431
  115    H    GLU  13           H        GLU  13  -2.290   6.674  -3.223
  116    HA   GLU  13           HA       GLU  13   0.013   8.243  -2.282
  117   1HB   GLU  13          2HB       GLU  13  -1.542   9.587  -3.698
  118   2HB   GLU  13          1HB       GLU  13  -2.838   9.223  -2.569
  119   1HG   GLU  13          2HG       GLU  13  -1.725  10.431  -0.817
  120   2HG   GLU  13          1HG       GLU  13  -0.306  10.671  -1.835
  121    H    MET  14           H        MET  14  -0.133   8.890  -0.022
  122    HA   MET  14           HA       MET  14  -1.971   7.331   1.601
  123   1HB   MET  14          2HB       MET  14  -0.070   6.342   2.888
  124   2HB   MET  14          1HB       MET  14  -0.209   5.736   1.240
  125   1HG   MET  14          2HG       MET  14   1.531   7.456   0.612
  126   2HG   MET  14          1HG       MET  14   1.780   7.689   2.342
  127   1HE   MET  14          1HE       MET  14   2.471   3.690   0.162
  128   2HE   MET  14          2HE       MET  14   1.947   5.168  -0.648
  129   3HE   MET  14          3HE       MET  14   0.871   4.357   0.490
  130    H    ALA  15           H        ALA  15  -1.722   7.796   3.898
  131    HA   ALA  15           HA       ALA  15  -0.676  10.514   4.351
  132   1HB   ALA  15          1HB       ALA  15  -3.115  10.374   4.483
  133   2HB   ALA  15          2HB       ALA  15  -2.401  10.773   6.047
  134   3HB   ALA  15          3HB       ALA  15  -2.970   9.134   5.730
  135    H    ALA  16           H        ALA  16  -1.277   7.361   5.859
  136    HA   ALA  16           HA       ALA  16   1.195   7.719   7.391
  137   1HB   ALA  16          1HB       ALA  16  -0.642   8.233   8.913
  138   2HB   ALA  16          2HB       ALA  16   0.179   6.744   9.386
  139   3HB   ALA  16          3HB       ALA  16  -1.380   6.671   8.566
  140    H    TYR  17           H        TYR  17   2.124   6.397   5.800
  141    HA   TYR  17           HA       TYR  17   1.333   3.686   5.395
  142   1HB   TYR  17          2HB       TYR  17   2.754   5.032   3.825
  143   2HB   TYR  17          1HB       TYR  17   4.064   4.923   4.995
  144    HD1  TYR  17           HD2      TYR  17   1.850   2.870   2.838
  145    HD2  TYR  17           HD1      TYR  17   5.500   3.061   5.016
  146    HE1  TYR  17           HE2      TYR  17   2.562   0.752   1.816
  147    HE2  TYR  17           HE1      TYR  17   6.223   0.943   3.996
  148    HH   TYR  17           HH       TYR  17   5.241  -1.028   2.946
  149    H    GLN  18           H        GLN  18   1.438   2.138   6.898
  150    HA   GLN  18           HA       GLN  18   3.712   2.140   8.759
  151   1HB   GLN  18          2HB       GLN  18   1.749   3.055   9.916
  152   2HB   GLN  18          1HB       GLN  18   0.815   1.632   9.472
  153   1HG   GLN  18          2HG       GLN  18   2.410   0.255  10.775
  154   2HG   GLN  18          1HG       GLN  18   3.195   1.741  11.305
  155   1HE2  GLN  18          1HE2      GLN  18   2.739   1.404  13.445
  156   2HE2  GLN  18          2HE2      GLN  18   1.135   1.517  14.102
  157    H    GLU  19           H        GLU  19   4.811   0.387   7.945
  158    HA   GLU  19           HA       GLU  19   3.272  -2.116   7.870
  159   1HB   GLU  19          2HB       GLU  19   4.899  -3.047   6.329
  160   2HB   GLU  19          1HB       GLU  19   4.227  -1.562   5.676
  161   1HG   GLU  19          2HG       GLU  19   6.223  -0.356   6.170
  162   2HG   GLU  19          1HG       GLU  19   6.881  -1.716   7.077
  163    H    GLU  20           H        GLU  20   3.867  -3.767   9.115
  164    HA   GLU  20           HA       GLU  20   6.077  -3.358  10.976
  165   1HB   GLU  20          2HB       GLU  20   3.815  -4.167  11.748
  166   2HB   GLU  20          1HB       GLU  20   4.106  -5.654  10.858
  167   1HG   GLU  20          2HG       GLU  20   5.932  -6.232  12.273
  168   2HG   GLU  20          1HG       GLU  20   5.906  -4.650  13.049
  169    H    SER  21           H        SER  21   8.007  -3.914  10.268
  170    HA   SER  21           HA       SER  21   8.352  -5.584   7.988
  171   1HB   SER  21          2HB       SER  21  10.843  -5.207   8.651
  172   2HB   SER  21          1HB       SER  21   9.885  -3.842   8.082
  173    HG   SER  21           HG       SER  21   9.881  -4.377  10.835
  174    H    GLU  22           H        GLU  22   8.289  -6.156  11.341
  175    HA   GLU  22           HA       GLU  22  10.040  -8.463  11.193
  176   1HB   GLU  22          2HB       GLU  22   8.548  -7.334  13.541
  177   2HB   GLU  22          1HB       GLU  22   9.776  -8.581  13.610
  178   1HG   GLU  22          2HG       GLU  22  11.162  -6.899  14.028
  179   2HG   GLU  22          1HG       GLU  22  11.103  -6.667  12.280
  180    HA   PRO  23           HA       PRO  23   9.236 -12.114  11.458
  181   1HB   PRO  23          2HB       PRO  23   6.443 -12.203  12.520
  182   2HB   PRO  23          1HB       PRO  23   7.723 -13.418  12.646
  183   1HG   PRO  23          2HG       PRO  23   7.195 -11.312  14.477
  184   2HG   PRO  23          1HG       PRO  23   8.591 -12.405  14.481
  185   1HD   PRO  23          2HD       PRO  23   8.753  -9.681  14.054
  186   2HD   PRO  23          1HD       PRO  23   9.953 -10.855  13.464
  187    H    LYS  24           H        LYS  24   6.749 -10.064  10.249
  188    HA   LYS  24           HA       LYS  24   6.741 -11.297   7.702
  189   1HB   LYS  24          2HB       LYS  24   4.771 -12.191   9.637
  190   2HB   LYS  24          1HB       LYS  24   4.010 -11.440   8.246
  191   1HG   LYS  24          2HG       LYS  24   5.194 -12.959   6.760
  192   2HG   LYS  24          1HG       LYS  24   6.004 -13.689   8.146
  193   1HD   LYS  24          2HD       LYS  24   3.041 -13.711   7.589
  194   2HD   LYS  24          1HD       LYS  24   4.150 -15.071   7.412
  195   1HE   LYS  24          2HE       LYS  24   4.670 -14.744   9.886
  196   2HE   LYS  24          1HE       LYS  24   3.239 -13.716   9.933
  197   1HZ   LYS  24          1HZ       LYS  24   2.572 -15.880  10.559
  198   2HZ   LYS  24          2HZ       LYS  24   3.372 -16.595   9.247
  199   3HZ   LYS  24          3HZ       LYS  24   1.988 -15.652   8.982
  200    H    ARG  25           H        ARG  25   6.574  -9.595   6.412
  201    HA   ARG  25           HA       ARG  25   6.127  -7.024   7.371
  202   1HB   ARG  25          2HB       ARG  25   7.444  -7.426   5.394
  203   2HB   ARG  25          1HB       ARG  25   6.047  -8.070   4.547
  204   1HG   ARG  25          2HG       ARG  25   5.021  -5.934   4.434
  205   2HG   ARG  25          1HG       ARG  25   6.204  -5.240   5.547
  206   1HD   ARG  25          2HD       ARG  25   6.939  -6.418   2.876
  207   2HD   ARG  25          1HD       ARG  25   6.549  -4.714   3.105
  208    HE   ARG  25           HE       ARG  25   8.529  -4.417   4.297
  209   1HH1  ARG  25          1HH1      ARG  25   8.115  -7.786   3.368
  210   2HH1  ARG  25          2HH1      ARG  25   9.771  -8.192   3.672
  211   1HH2  ARG  25          1HH2      ARG  25  10.722  -4.975   4.671
  212   2HH2  ARG  25          2HH2      ARG  25  11.238  -6.617   4.440
  213    H    LYS  26           H        LYS  26   4.291  -6.488   8.291
  214    HA   LYS  26           HA       LYS  26   1.765  -7.045   6.924
  215   1HB   LYS  26          2HB       LYS  26   2.096  -7.555   9.379
  216   2HB   LYS  26          1HB       LYS  26   2.208  -5.823   9.651
  217   1HG   LYS  26          2HG       LYS  26  -0.067  -5.540   8.814
  218   2HG   LYS  26          1HG       LYS  26  -0.175  -7.279   8.525
  219   1HD   LYS  26          2HD       LYS  26   0.260  -7.642  10.951
  220   2HD   LYS  26          1HD       LYS  26   0.169  -5.894  11.182
  221   1HE   LYS  26          2HE       LYS  26  -1.957  -6.834  11.734
  222   2HE   LYS  26          1HE       LYS  26  -2.120  -5.949  10.220
  223   1HZ   LYS  26          1HZ       LYS  26  -2.148  -8.862  10.677
  224   2HZ   LYS  26          2HZ       LYS  26  -1.683  -8.252   9.166
  225   3HZ   LYS  26          3HZ       LYS  26  -3.226  -7.903   9.773
  226    H    ILE  27           H        ILE  27   1.472  -5.535   5.348
  227    HA   ILE  27           HA       ILE  27   2.344  -2.798   5.829
  228    HB   ILE  27           HB       ILE  27   1.101  -3.947   3.328
  229   1HG1  ILE  27          2HG1      ILE  27   4.024  -3.544   4.011
  230   2HG1  ILE  27          1HG1      ILE  27   3.204  -5.097   3.883
  231   1HG2  ILE  27          1HG2      ILE  27   2.110  -1.973   2.249
  232   2HG2  ILE  27          2HG2      ILE  27   2.620  -1.397   3.836
  233   3HG2  ILE  27          3HG2      ILE  27   0.904  -1.545   3.462
  234   1HD1  ILE  27          1HD1      ILE  27   2.775  -4.673   1.517
  235   2HD1  ILE  27          2HD1      ILE  27   4.499  -4.635   1.887
  236   3HD1  ILE  27          3HD1      ILE  27   3.615  -3.127   1.644
  237    H    ALA  28           H        ALA  28   0.929  -1.725   7.086
  238    HA   ALA  28           HA       ALA  28  -1.881  -1.693   6.198
  239   1HB   ALA  28          1HB       ALA  28  -1.574  -2.530   8.496
  240   2HB   ALA  28          2HB       ALA  28  -2.485  -1.021   8.454
  241   3HB   ALA  28          3HB       ALA  28  -0.786  -1.011   8.929
  242    H    PHE  29           H        PHE  29  -1.729  -0.048   4.675
  243    HA   PHE  29           HA       PHE  29  -0.463   2.421   5.591
  244   1HB   PHE  29          2HB       PHE  29  -0.427   3.181   3.308
  245   2HB   PHE  29          1HB       PHE  29   0.259   1.569   3.396
  246    HD1  PHE  29           HD1      PHE  29  -0.907  -0.330   2.401
  247    HD2  PHE  29           HD2      PHE  29  -2.459   3.622   2.108
  248    HE1  PHE  29           HE1      PHE  29  -2.362  -1.042   0.550
  249    HE2  PHE  29           HE2      PHE  29  -3.923   2.915   0.265
  250    HZ   PHE  29           HZ       PHE  29  -3.874   0.582  -0.519
  251    H    THR  30           H        THR  30  -1.502   4.126   6.147
  252    HA   THR  30           HA       THR  30  -4.399   4.113   6.157
  253    HB   THR  30           HB       THR  30  -2.502   6.218   7.226
  254    HG1  THR  30           HG1      THR  30  -2.012   4.361   8.329
  255   1HG2  THR  30          1HG2      THR  30  -4.824   6.954   6.979
  256   2HG2  THR  30          2HG2      THR  30  -4.372   6.810   8.679
  257   3HG2  THR  30          3HG2      THR  30  -5.363   5.563   7.920
  258    H    LEU  31           H        LEU  31  -5.395   4.783   4.387
  259    HA   LEU  31           HA       LEU  31  -4.159   6.814   2.681
  260   1HB   LEU  31          2HB       LEU  31  -4.932   4.721   1.661
  261   2HB   LEU  31          1HB       LEU  31  -6.553   5.018   2.250
  262    HG   LEU  31           HG       LEU  31  -5.296   7.014   0.413
  263   1HD1  LEU  31          1HD1      LEU  31  -6.571   4.408  -0.431
  264   2HD1  LEU  31          2HD1      LEU  31  -4.883   4.869  -0.668
  265   3HD1  LEU  31          3HD1      LEU  31  -6.162   5.744  -1.509
  266   1HD2  LEU  31          1HD2      LEU  31  -8.118   5.997   0.789
  267   2HD2  LEU  31          2HD2      LEU  31  -7.623   7.304  -0.284
  268   3HD2  LEU  31          3HD2      LEU  31  -7.467   7.491   1.462
  269    H    ASN  32           H        ASN  32  -5.108   8.785   2.241
  270    HA   ASN  32           HA       ASN  32  -6.907   9.758   4.288
  271   1HB   ASN  32          2HB       ASN  32  -4.896  11.042   3.517
  272   2HB   ASN  32          1HB       ASN  32  -5.688  11.251   1.960
  273   1HD2  ASN  32          1HD2      ASN  32  -5.759  13.442   2.082
  274   2HD2  ASN  32          2HD2      ASN  32  -6.790  14.289   3.184
  275    H    VAL  33           H        VAL  33  -9.035   9.612   4.051
  276    HA   VAL  33           HA       VAL  33 -10.171   9.491   1.350
  277    HB   VAL  33           HB       VAL  33 -11.667   8.919   3.889
  278   1HG1  VAL  33          1HG1      VAL  33 -12.068   8.064   1.022
  279   2HG1  VAL  33          2HG1      VAL  33 -13.017   9.269   1.896
  280   3HG1  VAL  33          3HG1      VAL  33 -13.075   7.574   2.386
  281   1HG2  VAL  33          1HG2      VAL  33 -10.081   6.978   2.216
  282   2HG2  VAL  33          2HG2      VAL  33 -11.146   6.558   3.557
  283   3HG2  VAL  33          3HG2      VAL  33  -9.686   7.500   3.854
  284    H    THR  34           H        THR  34 -10.341  11.633   0.767
  285    HA   THR  34           HA       THR  34 -12.110  13.281   2.450
  286    HB   THR  34           HB       THR  34 -11.184  15.241   1.253
  287    HG1  THR  34           HG1      THR  34  -9.285  14.913  -0.030
  288   1HG2  THR  34          1HG2      THR  34  -9.091  13.502   2.559
  289   2HG2  THR  34          2HG2      THR  34 -10.210  14.578   3.393
  290   3HG2  THR  34          3HG2      THR  34  -8.976  15.245   2.321
  291    H    SER  35           H        SER  35 -13.189  15.035   0.843
  292    HA   SER  35           HA       SER  35 -14.905  13.580  -0.893
  293   1HB   SER  35          2HB       SER  35 -14.475  16.573  -0.720
  294   2HB   SER  35          1HB       SER  35 -15.871  15.757  -1.423
  295    HG   SER  35           HG       SER  35 -16.672  15.470   0.502
  296    H    GLU  36           H        GLU  36 -11.779  14.645  -1.253
  297    HA   GLU  36           HA       GLU  36 -11.851  15.234  -4.082
  298   1HB   GLU  36          2HB       GLU  36  -9.445  14.679  -2.344
  299   2HB   GLU  36          1HB       GLU  36  -9.471  15.519  -3.889
  300   1HG   GLU  36          2HG       GLU  36 -10.448  17.425  -2.967
  301   2HG   GLU  36          1HG       GLU  36 -10.953  16.568  -1.509
  302    H    THR  37           H        THR  37 -10.261  12.770  -2.069
  303    HA   THR  37           HA       THR  37  -9.492  11.209  -4.327
  304    HB   THR  37           HB       THR  37  -8.825   9.539  -2.507
  305    HG1  THR  37           HG1      THR  37  -8.746  10.534  -0.378
  306   1HG2  THR  37          1HG2      THR  37  -7.705  12.342  -2.367
  307   2HG2  THR  37          2HG2      THR  37  -7.249  11.112  -3.546
  308   3HG2  THR  37          3HG2      THR  37  -6.886  10.871  -1.837
  309    H    TYR  38           H        TYR  38 -12.281  11.320  -2.338
  310    HA   TYR  38           HA       TYR  38 -13.185   8.717  -2.295
  311   1HB   TYR  38          2HB       TYR  38 -14.267  10.613  -1.126
  312   2HB   TYR  38          1HB       TYR  38 -14.877  11.199  -2.669
  313    HD1  TYR  38           HD2      TYR  38 -15.028   8.320  -0.326
  314    HD2  TYR  38           HD1      TYR  38 -16.912  10.401  -3.524
  315    HE1  TYR  38           HE2      TYR  38 -17.029   6.918  -0.051
  316    HE2  TYR  38           HE1      TYR  38 -18.919   9.006  -3.258
  317    HH   TYR  38           HH       TYR  38 -19.518   6.793  -2.347
  318    H    HIS  39           H        HIS  39 -13.176  10.952  -4.990
  319    HA   HIS  39           HA       HIS  39 -15.170   9.822  -6.585
  320   1HB   HIS  39          2HB       HIS  39 -12.635  11.253  -7.393
  321   2HB   HIS  39          1HB       HIS  39 -13.925  10.839  -8.513
  322    HD1  HIS  39           HD1      HIS  39 -12.750  13.693  -7.049
  323    HD2  HIS  39           HD2      HIS  39 -16.526  11.941  -7.058
  324    HE1  HIS  39           HE1      HIS  39 -14.363  15.550  -6.530
  325    HE2  HIS  39           HE2      HIS  39 -16.644  14.512  -6.780
  326    H    ASP  40           H        ASP  40 -11.690   9.092  -6.499
  327    HA   ASP  40           HA       ASP  40 -11.968   7.122  -8.594
  328   1HB   ASP  40          2HB       ASP  40  -9.565   7.893  -6.928
  329   2HB   ASP  40          1HB       ASP  40  -9.545   6.887  -8.367
  330    H    ILE  41           H        ILE  41 -11.366   7.209  -5.125
  331    HA   ILE  41           HA       ILE  41 -10.626   4.424  -5.039
  332    HB   ILE  41           HB       ILE  41 -11.177   6.141  -2.626
  333   1HG1  ILE  41          2HG1      ILE  41  -8.645   6.038  -4.282
  334   2HG1  ILE  41          1HG1      ILE  41  -9.754   7.400  -4.212
  335   1HG2  ILE  41          1HG2      ILE  41  -9.435   4.743  -1.619
  336   2HG2  ILE  41          2HG2      ILE  41  -9.221   3.898  -3.151
  337   3HG2  ILE  41          3HG2      ILE  41 -10.740   3.745  -2.268
  338   1HD1  ILE  41          1HD1      ILE  41  -7.791   7.767  -2.839
  339   2HD1  ILE  41          2HD1      ILE  41  -8.158   6.311  -1.916
  340   3HD1  ILE  41          3HD1      ILE  41  -9.252   7.692  -1.855
  341    H    ALA  42           H        ALA  42 -13.587   6.076  -4.996
  342    HA   ALA  42           HA       ALA  42 -15.048   4.184  -3.419
  343   1HB   ALA  42          1HB       ALA  42 -15.944   6.415  -3.824
  344   2HB   ALA  42          2HB       ALA  42 -17.047   5.177  -4.426
  345   3HB   ALA  42          3HB       ALA  42 -16.030   6.075  -5.554
  346    H    VAL  43           H        VAL  43 -13.673   4.178  -6.513
  347    HA   VAL  43           HA       VAL  43 -15.281   1.914  -7.419
  348    HB   VAL  43           HB       VAL  43 -12.927   3.221  -8.796
  349   1HG1  VAL  43          1HG1      VAL  43 -15.087   1.405  -9.858
  350   2HG1  VAL  43          2HG1      VAL  43 -13.410   0.950  -9.556
  351   3HG1  VAL  43          3HG1      VAL  43 -13.791   2.136 -10.805
  352   1HG2  VAL  43          1HG2      VAL  43 -15.877   3.740  -9.173
  353   2HG2  VAL  43          2HG2      VAL  43 -14.583   4.396 -10.175
  354   3HG2  VAL  43          3HG2      VAL  43 -14.703   4.860  -8.479
  355    H    LEU  44           H        LEU  44 -11.932   2.770  -6.607
  356    HA   LEU  44           HA       LEU  44 -11.116  -0.016  -6.584
  357   1HB   LEU  44          2HB       LEU  44  -9.594   1.748  -7.405
  358   2HB   LEU  44          1HB       LEU  44  -9.607   2.489  -5.817
  359    HG   LEU  44           HG       LEU  44  -8.539   0.465  -4.885
  360   1HD1  LEU  44          1HD1      LEU  44  -8.371  -0.408  -7.763
  361   2HD1  LEU  44          2HD1      LEU  44  -9.395  -1.133  -6.524
  362   3HD1  LEU  44          3HD1      LEU  44  -7.638  -1.221  -6.378
  363   1HD2  LEU  44          1HD2      LEU  44  -7.163   2.345  -5.555
  364   2HD2  LEU  44          2HD2      LEU  44  -7.096   1.736  -7.209
  365   3HD2  LEU  44          3HD2      LEU  44  -6.332   0.829  -5.902
  366    H    LEU  45           H        LEU  45 -12.259  -0.971  -4.911
  367    HA   LEU  45           HA       LEU  45 -12.019   0.257  -2.265
  368   1HB   LEU  45          2HB       LEU  45 -14.226  -1.410  -3.463
  369   2HB   LEU  45          1HB       LEU  45 -14.099  -1.105  -1.744
  370    HG   LEU  45           HG       LEU  45 -14.397   1.060  -3.829
  371   1HD1  LEU  45          1HD1      LEU  45 -16.704   1.241  -3.040
  372   2HD1  LEU  45          2HD1      LEU  45 -16.456  -0.150  -1.984
  373   3HD1  LEU  45          3HD1      LEU  45 -16.392  -0.351  -3.735
  374   1HD2  LEU  45          1HD2      LEU  45 -14.887   2.483  -1.906
  375   2HD2  LEU  45          2HD2      LEU  45 -13.273   1.785  -1.783
  376   3HD2  LEU  45          3HD2      LEU  45 -14.594   1.127  -0.820
  377    H    TYR  46           H        TYR  46 -10.114  -0.791  -1.819
  378    HA   TYR  46           HA       TYR  46  -8.786  -2.453  -0.931
  379   1HB   TYR  46          2HB       TYR  46  -9.994  -3.632   0.993
  380   2HB   TYR  46          1HB       TYR  46  -9.879  -1.879   1.041
  381    HD1  TYR  46           HD1      TYR  46 -12.142  -4.737   0.605
  382    HD2  TYR  46           HD2      TYR  46 -11.853  -0.505   0.862
  383    HE1  TYR  46           HE1      TYR  46 -14.572  -4.598   0.896
  384    HE2  TYR  46           HE2      TYR  46 -14.284  -0.352   1.150
  385    HH   TYR  46           HH       TYR  46 -16.250  -1.505   0.937
  386    H    GLU  47           H        GLU  47  -8.692  -3.628  -3.010
  387    HA   GLU  47           HA       GLU  47 -10.443  -5.762  -3.575
  388   1HB   GLU  47          2HB       GLU  47  -7.741  -4.994  -4.614
  389   2HB   GLU  47          1HB       GLU  47  -8.504  -6.508  -5.094
  390   1HG   GLU  47          2HG       GLU  47  -9.812  -3.819  -5.408
  391   2HG   GLU  47          1HG       GLU  47  -8.844  -4.592  -6.663
  392    H    LYS  48           H        LYS  48  -9.678  -7.962  -3.946
  393    HA   LYS  48           HA       LYS  48  -9.011  -9.290  -1.583
  394   1HB   LYS  48          2HB       LYS  48  -8.647 -10.383  -4.375
  395   2HB   LYS  48          1HB       LYS  48  -9.070 -11.267  -2.913
  396   1HG   LYS  48          2HG       LYS  48 -11.256 -10.552  -2.952
  397   2HG   LYS  48          1HG       LYS  48 -10.886  -9.119  -3.899
  398   1HD   LYS  48          2HD       LYS  48 -10.750 -11.938  -4.963
  399   2HD   LYS  48          1HD       LYS  48 -12.134 -10.860  -5.163
  400   1HE   LYS  48          2HE       LYS  48 -10.604  -9.222  -6.252
  401   2HE   LYS  48          1HE       LYS  48  -9.332 -10.437  -6.185
  402   1HZ   LYS  48          1HZ       LYS  48 -10.454 -10.360  -8.335
  403   2HZ   LYS  48          2HZ       LYS  48 -11.925 -10.761  -7.600
  404   3HZ   LYS  48          3HZ       LYS  48 -10.639 -11.869  -7.593
  405    H    THR  49           H        THR  49  -7.122  -8.732  -4.522
  406    HA   THR  49           HA       THR  49  -4.654  -9.124  -2.984
  407    HB   THR  49           HB       THR  49  -3.741  -9.888  -5.317
  408    HG1  THR  49           HG1      THR  49  -6.288 -11.008  -5.666
  409   1HG2  THR  49          1HG2      THR  49  -5.492 -11.686  -3.634
  410   2HG2  THR  49          2HG2      THR  49  -3.794 -11.311  -3.334
  411   3HG2  THR  49          3HG2      THR  49  -4.253 -12.224  -4.772
  412    H    PHE  50           H        PHE  50  -2.852  -7.892  -3.686
  413    HA   PHE  50           HA       PHE  50  -3.465  -5.666  -5.514
  414   1HB   PHE  50          2HB       PHE  50  -2.033  -5.443  -2.855
  415   2HB   PHE  50          1HB       PHE  50  -2.220  -4.141  -4.020
  416    HD1  PHE  50           HD2      PHE  50  -3.901  -6.196  -1.505
  417    HD2  PHE  50           HD1      PHE  50  -4.312  -2.987  -4.267
  418    HE1  PHE  50           HE2      PHE  50  -5.993  -5.521  -0.400
  419    HE2  PHE  50           HE1      PHE  50  -6.403  -2.302  -3.167
  420    HZ   PHE  50           HZ       PHE  50  -7.245  -3.571  -1.232
  421    H    ASN  51           H        ASN  51  -1.974  -5.567  -7.108
  422    HA   ASN  51           HA       ASN  51   0.582  -6.865  -6.839
  423   1HB   ASN  51          2HB       ASN  51  -0.668  -6.598  -9.028
  424   2HB   ASN  51          1HB       ASN  51  -0.245  -4.889  -8.976
  425   1HD2  ASN  51          1HD2      ASN  51   1.928  -4.283  -9.240
  426   2HD2  ASN  51          2HD2      ASN  51   3.086  -5.358  -9.938
  427    H    VAL  52           H        VAL  52   1.697  -5.940  -5.191
  428    HA   VAL  52           HA       VAL  52   1.784  -3.068  -4.865
  429    HB   VAL  52           HB       VAL  52   3.198  -5.215  -3.274
  430   1HG1  VAL  52          1HG1      VAL  52   4.189  -2.980  -3.047
  431   2HG1  VAL  52          2HG1      VAL  52   3.432  -3.524  -1.551
  432   3HG1  VAL  52          3HG1      VAL  52   2.617  -2.340  -2.572
  433   1HG2  VAL  52          1HG2      VAL  52   0.799  -5.542  -3.178
  434   2HG2  VAL  52          2HG2      VAL  52   0.561  -3.847  -2.754
  435   3HG2  VAL  52          3HG2      VAL  52   1.390  -4.928  -1.633
  436    H    GLU  53           H        GLU  53   3.028  -2.097  -6.369
  437    HA   GLU  53           HA       GLU  53   5.797  -3.059  -6.657
  438   1HB   GLU  53          2HB       GLU  53   4.455  -2.895  -8.768
  439   2HB   GLU  53          1HB       GLU  53   4.271  -1.172  -8.468
  440   1HG   GLU  53          2HG       GLU  53   6.989  -1.541  -8.304
  441   2HG   GLU  53          1HG       GLU  53   6.507  -2.646  -9.590
  442    H    VAL  54           H        VAL  54   7.133  -2.094  -5.435
  443    HA   VAL  54           HA       VAL  54   6.792   0.791  -5.055
  444    HB   VAL  54           HB       VAL  54   6.409  -0.283  -2.945
  445   1HG1  VAL  54          1HG1      VAL  54   7.529  -2.411  -3.351
  446   2HG1  VAL  54          2HG1      VAL  54   8.032  -1.686  -1.823
  447   3HG1  VAL  54          3HG1      VAL  54   9.094  -1.605  -3.229
  448   1HG2  VAL  54          1HG2      VAL  54   7.603   1.799  -2.895
  449   2HG2  VAL  54          2HG2      VAL  54   9.136   0.948  -3.067
  450   3HG2  VAL  54          3HG2      VAL  54   8.175   0.744  -1.601
  451    HA   PRO  55           HA       PRO  55  10.598   0.374  -7.512
  452   1HB   PRO  55          2HB       PRO  55  10.501   2.962  -8.393
  453   2HB   PRO  55          1HB       PRO  55   9.645   1.629  -9.176
  454   1HG   PRO  55          2HG       PRO  55   8.615   3.678  -7.258
  455   2HG   PRO  55          1HG       PRO  55   7.852   3.027  -8.721
  456   1HD   PRO  55          2HD       PRO  55   7.159   2.200  -6.252
  457   2HD   PRO  55          1HD       PRO  55   7.146   1.109  -7.651
  458    H    GLU  56           H        GLU  56   9.621   2.580  -5.036
  459    HA   GLU  56           HA       GLU  56  12.084   3.944  -4.680
  460   1HB   GLU  56          2HB       GLU  56   9.742   4.597  -3.850
  461   2HB   GLU  56          1HB       GLU  56  10.029   3.474  -2.528
  462   1HG   GLU  56          2HG       GLU  56  11.985   4.761  -1.850
  463   2HG   GLU  56          1HG       GLU  56  11.719   5.875  -3.191
  464    H    ARG  57           H        ARG  57  10.968   0.816  -3.813
  465    HA   ARG  57           HA       ARG  57  13.455   0.374  -2.301
  466   1HB   ARG  57          2HB       ARG  57  10.710  -0.751  -1.725
  467   2HB   ARG  57          1HB       ARG  57  12.183  -1.442  -1.059
  468   1HG   ARG  57          2HG       ARG  57  12.675   0.801  -0.059
  469   2HG   ARG  57          1HG       ARG  57  11.068   1.309  -0.575
  470   1HD   ARG  57          2HD       ARG  57  11.597  -1.065   1.205
  471   2HD   ARG  57          1HD       ARG  57  11.223   0.547   1.805
  472    HE   ARG  57           HE       ARG  57   9.208  -0.166   0.024
  473   1HH1  ARG  57          1HH1      ARG  57  10.473  -1.313   3.074
  474   2HH1  ARG  57          2HH1      ARG  57   8.924  -1.825   3.683
  475   1HH2  ARG  57          1HH2      ARG  57   7.162  -0.868   0.814
  476   2HH2  ARG  57          2HH2      ARG  57   7.052  -1.558   2.407
  477    H    ASP  58           H        ASP  58  12.329  -0.018  -5.146
  478    HA   ASP  58           HA       ASP  58  12.383  -1.512  -6.858
  479   1HB   ASP  58          2HB       ASP  58  14.831  -2.171  -5.255
  480   2HB   ASP  58          1HB       ASP  58  14.453  -3.080  -6.715
  481    H    LEU  59           H        LEU  59  10.428  -2.299  -5.189
  482    HA   LEU  59           HA       LEU  59  10.818  -5.217  -5.005
  483   1HB   LEU  59          2HB       LEU  59  10.296  -3.491  -2.922
  484   2HB   LEU  59          1HB       LEU  59   8.702  -4.087  -3.331
  485    HG   LEU  59           HG       LEU  59  11.078  -5.773  -2.534
  486   1HD1  LEU  59          1HD1      LEU  59   9.701  -6.276  -0.565
  487   2HD1  LEU  59          2HD1      LEU  59   8.485  -5.130  -1.135
  488   3HD1  LEU  59          3HD1      LEU  59  10.089  -4.558  -0.680
  489   1HD2  LEU  59          1HD2      LEU  59   8.253  -6.603  -3.200
  490   2HD2  LEU  59          2HD2      LEU  59   9.529  -7.656  -2.585
  491   3HD2  LEU  59          3HD2      LEU  59   9.680  -6.927  -4.183
  492    H    ALA  60           H        ALA  60   9.825  -5.977  -6.784
  493    HA   ALA  60           HA       ALA  60   7.099  -5.082  -7.391
  494   1HB   ALA  60          1HB       ALA  60   8.669  -5.354  -9.271
  495   2HB   ALA  60          2HB       ALA  60   7.291  -6.448  -9.401
  496   3HB   ALA  60          3HB       ALA  60   8.854  -7.059  -8.857
  497    H    PHE  61           H        PHE  61   5.672  -5.987  -6.021
  498    HA   PHE  61           HA       PHE  61   5.920  -8.865  -5.457
  499   1HB   PHE  61          2HB       PHE  61   6.889  -7.339  -3.654
  500   2HB   PHE  61          1HB       PHE  61   5.246  -6.783  -3.374
  501    HD1  PHE  61           HD1      PHE  61   7.097 -10.010  -3.666
  502    HD2  PHE  61           HD2      PHE  61   4.117  -7.748  -1.642
  503    HE1  PHE  61           HE1      PHE  61   6.765 -11.870  -2.088
  504    HE2  PHE  61           HE2      PHE  61   3.776  -9.604  -0.062
  505    HZ   PHE  61           HZ       PHE  61   5.103 -11.668  -0.282
  506    H    ARG  62           H        ARG  62   3.876  -9.751  -4.515
  507    HA   ARG  62           HA       ARG  62   1.514  -8.119  -5.133
  508   1HB   ARG  62          2HB       ARG  62   1.755  -9.836  -6.888
  509   2HB   ARG  62          1HB       ARG  62   1.805 -11.092  -5.659
  510   1HG   ARG  62          2HG       ARG  62  -0.474 -10.549  -4.991
  511   2HG   ARG  62          1HG       ARG  62  -0.529  -9.262  -6.195
  512   1HD   ARG  62          2HD       ARG  62  -1.662 -11.258  -7.002
  513   2HD   ARG  62          1HD       ARG  62  -0.234 -10.911  -7.974
  514    HE   ARG  62           HE       ARG  62   0.893 -12.716  -6.799
  515   1HH1  ARG  62          1HH1      ARG  62  -2.593 -12.594  -6.493
  516   2HH1  ARG  62          2HH1      ARG  62  -2.744 -14.281  -6.115
  517   1HH2  ARG  62          1HH2      ARG  62   0.685 -14.954  -6.361
  518   2HH2  ARG  62          2HH2      ARG  62  -0.895 -15.619  -6.031
  519    H    GLY  63           H        GLY  63   0.055  -8.025  -3.505
  520   1HA   GLY  63          2HA       GLY  63   0.501  -9.869  -1.235
  521   2HA   GLY  63          1HA       GLY  63   0.152  -8.161  -1.014
  522    H    GLU  64           H        GLU  64  -1.415  -9.934   0.268
  523    HA   GLU  64           HA       GLU  64  -3.973  -9.492  -1.067
  524   1HB   GLU  64          2HB       GLU  64  -4.764 -11.750  -0.492
  525   2HB   GLU  64          1HB       GLU  64  -3.402 -11.815  -1.600
  526   1HG   GLU  64          2HG       GLU  64  -1.909 -12.399   0.207
  527   2HG   GLU  64          1HG       GLU  64  -3.213 -12.221   1.376
  528    H    MET  65           H        MET  65  -5.716  -9.213   0.407
  529    HA   MET  65           HA       MET  65  -4.979  -8.459   3.064
  530   1HB   MET  65          2HB       MET  65  -7.624  -8.772   1.672
  531   2HB   MET  65          1HB       MET  65  -7.539  -8.484   3.404
  532   1HG   MET  65          2HG       MET  65  -6.277  -6.420   2.976
  533   2HG   MET  65          1HG       MET  65  -6.460  -6.696   1.242
  534   1HE   MET  65          1HE       MET  65  -7.420  -4.057   1.496
  535   2HE   MET  65          2HE       MET  65  -7.402  -4.183   3.254
  536   3HE   MET  65          3HE       MET  65  -8.875  -3.687   2.419
  537    H    THR  66           H        THR  66  -4.227 -10.041   4.330
  538    HA   THR  66           HA       THR  66  -5.288 -12.724   4.113
  539    HB   THR  66           HB       THR  66  -3.417 -13.036   5.959
  540    HG1  THR  66           HG1      THR  66  -1.960 -11.099   4.773
  541   1HG2  THR  66          1HG2      THR  66  -3.385 -13.939   3.646
  542   2HG2  THR  66          2HG2      THR  66  -1.794 -13.414   4.199
  543   3HG2  THR  66          3HG2      THR  66  -2.722 -12.404   3.090
  544    H    ASN  67           H        ASN  67  -6.004 -10.024   5.959
  545    HA   ASN  67           HA       ASN  67  -7.126 -11.681   8.110
  546   1HB   ASN  67          2HB       ASN  67  -5.858  -8.990   8.632
  547   2HB   ASN  67          1HB       ASN  67  -6.372 -10.190   9.811
  548   1HD2  ASN  67          1HD2      ASN  67  -3.958  -9.249   7.535
  549   2HD2  ASN  67          2HD2      ASN  67  -2.743 -10.383   8.030
  550    H    TYR  68           H        TYR  68  -8.867 -10.615   9.282
  551    HA   TYR  68           HA       TYR  68 -10.424  -8.813   7.614
  552   1HB   TYR  68          2HB       TYR  68 -11.099  -9.918  10.356
  553   2HB   TYR  68          1HB       TYR  68 -12.207  -9.126   9.240
  554    HD1  TYR  68           HD1      TYR  68 -12.955 -10.303   7.200
  555    HD2  TYR  68           HD2      TYR  68 -10.516 -12.221  10.108
  556    HE1  TYR  68           HE1      TYR  68 -13.546 -12.493   6.245
  557    HE2  TYR  68           HE2      TYR  68 -11.094 -14.413   9.164
  558    HH   TYR  68           HH       TYR  68 -12.850 -15.436   7.852
  559    H    SER  69           H        SER  69  -8.910  -7.049   7.751
  560    HA   SER  69           HA       SER  69  -8.806  -5.771  10.400
  561   1HB   SER  69          2HB       SER  69  -6.623  -6.550   9.375
  562   2HB   SER  69          1HB       SER  69  -6.870  -5.331   8.126
  563    HG   SER  69           HG       SER  69  -5.660  -4.926  10.320
  564    H    THR  70           H        THR  70  -9.787  -3.891  10.620
  565    HA   THR  70           HA       THR  70 -10.026  -2.026   8.422
  566    HB   THR  70           HB       THR  70 -12.507  -3.155   9.749
  567    HG1  THR  70           HG1      THR  70 -11.135  -3.905   7.541
  568   1HG2  THR  70          1HG2      THR  70 -12.703  -0.754   9.272
  569   2HG2  THR  70          2HG2      THR  70 -13.743  -1.702   8.206
  570   3HG2  THR  70          3HG2      THR  70 -12.223  -1.044   7.601
  571    H    SER  71           H        SER  71  -9.454  -0.148   9.313
  572    HA   SER  71           HA       SER  71 -10.501   0.460  11.981
  573   1HB   SER  71          2HB       SER  71  -7.867   1.330  10.784
  574   2HB   SER  71          1HB       SER  71  -8.524   1.942  12.304
  575    HG   SER  71           HG       SER  71  -8.668  -0.627  12.547
  576    H    LEU  72           H        LEU  72 -12.042   1.917  11.872
  577    HA   LEU  72           HA       LEU  72 -13.342   3.659  11.263
  578   1HB   LEU  72          2HB       LEU  72 -10.702   4.677  10.250
  579   2HB   LEU  72          1HB       LEU  72 -12.180   5.589  10.017
  580    HG   LEU  72           HG       LEU  72 -12.486   5.526  12.529
  581   1HD1  LEU  72          1HD1      LEU  72 -10.494   5.146  13.887
  582   2HD1  LEU  72          2HD1      LEU  72  -9.616   4.611  12.454
  583   3HD1  LEU  72          3HD1      LEU  72 -10.994   3.679  13.043
  584   1HD2  LEU  72          1HD2      LEU  72 -10.901   7.353  12.903
  585   2HD2  LEU  72          2HD2      LEU  72 -11.724   7.509  11.351
  586   3HD2  LEU  72          3HD2      LEU  72 -10.061   6.925  11.415
  587    H    THR  73           H        THR  73 -13.950   5.069   9.240
  588    HA   THR  73           HA       THR  73 -14.976   5.184   7.263
  589    HB   THR  73           HB       THR  73 -14.022   4.091   5.243
  590    HG1  THR  73           HG1      THR  73 -12.300   2.946   7.166
  591   1HG2  THR  73          1HG2      THR  73 -13.330   6.329   5.955
  592   2HG2  THR  73          2HG2      THR  73 -12.018   5.464   5.161
  593   3HG2  THR  73          3HG2      THR  73 -12.034   5.619   6.919
  594    H    ASN  74           H        ASN  74 -14.470   1.945   8.451
  595    HA   ASN  74           HA       ASN  74 -15.878   0.177   8.628
  596   1HB   ASN  74          2HB       ASN  74 -18.010   2.039   7.546
  597   2HB   ASN  74          1HB       ASN  74 -18.291   0.489   8.330
  598   1HD2  ASN  74          1HD2      ASN  74 -19.234   3.145   9.045
  599   2HD2  ASN  74          2HD2      ASN  74 -18.676   3.447  10.657
  600    H    LEU  75           H        LEU  75 -14.649   1.325   6.012
  601    HA   LEU  75           HA       LEU  75 -14.333   0.680   3.877
  602   1HB   LEU  75          2HB       LEU  75 -15.777  -1.789   4.824
  603   2HB   LEU  75          1HB       LEU  75 -14.969  -1.654   3.272
  604    HG   LEU  75           HG       LEU  75 -13.698  -1.610   6.009
  605   1HD1  LEU  75          1HD1      LEU  75 -13.356  -3.493   3.677
  606   2HD1  LEU  75          2HD1      LEU  75 -14.327  -3.813   5.115
  607   3HD1  LEU  75          3HD1      LEU  75 -12.580  -3.617   5.260
  608   1HD2  LEU  75          1HD2      LEU  75 -12.596   0.029   4.571
  609   2HD2  LEU  75          2HD2      LEU  75 -12.384  -1.198   3.323
  610   3HD2  LEU  75          3HD2      LEU  75 -11.556  -1.364   4.872
  611    H    TYR  76           H        TYR  76 -16.940   1.971   4.831
  612    HA   TYR  76           HA       TYR  76 -18.241   1.874   2.253
  613   1HB   TYR  76          2HB       TYR  76 -19.344   0.016   3.390
  614   2HB   TYR  76          1HB       TYR  76 -19.730   1.055   4.755
  615    HD1  TYR  76           HD1      TYR  76 -20.399   0.546   1.133
  616    HD2  TYR  76           HD2      TYR  76 -21.708   2.332   4.766
  617    HE1  TYR  76           HE1      TYR  76 -22.531   1.151   0.064
  618    HE2  TYR  76           HE2      TYR  76 -23.839   2.941   3.708
  619    HH   TYR  76           HH       TYR  76 -24.742   3.333   1.495
  620    H    GLU  77           H        GLU  77 -19.063   2.917   5.557
  621    HA   GLU  77           HA       GLU  77 -19.775   5.539   4.439
  622   1HB   GLU  77          2HB       GLU  77 -21.574   4.240   5.553
  623   2HB   GLU  77          1HB       GLU  77 -20.647   4.280   7.045
  624   1HG   GLU  77          2HG       GLU  77 -20.838   6.702   7.118
  625   2HG   GLU  77          1HG       GLU  77 -21.736   6.685   5.599
  626    HA   PRO  78           HA       PRO  78 -16.124   6.705   6.812
  627   1HB   PRO  78          2HB       PRO  78 -15.635   8.839   5.023
  628   2HB   PRO  78          1HB       PRO  78 -14.878   7.247   5.012
  629   1HG   PRO  78          2HG       PRO  78 -16.596   8.262   3.052
  630   2HG   PRO  78          1HG       PRO  78 -16.131   6.566   3.254
  631   1HD   PRO  78          2HD       PRO  78 -18.617   7.965   4.126
  632   2HD   PRO  78          1HD       PRO  78 -18.399   6.299   3.544
  633    H    GLY  79           H        GLY  79 -17.312   9.650   5.278
  634   1HA   GLY  79          2HA       GLY  79 -18.820  10.897   7.135
  635   2HA   GLY  79          1HA       GLY  79 -17.200  11.034   7.812
  636    H    ALA  80           H        ALA  80 -16.193  12.886   7.323
  637    HA   ALA  80           HA       ALA  80 -16.781  14.152   4.723
  638   1HB   ALA  80          1HB       ALA  80 -15.756  15.451   7.251
  639   2HB   ALA  80          2HB       ALA  80 -17.417  15.533   6.664
  640   3HB   ALA  80          3HB       ALA  80 -16.114  16.270   5.731
  641    H    VAL  81           H        VAL  81 -14.315  13.496   7.139
  642    HA   VAL  81           HA       VAL  81 -12.467  12.836   4.974
  643    HB   VAL  81           HB       VAL  81 -11.800  15.056   5.818
  644   1HG1  VAL  81          1HG1      VAL  81 -10.910  15.297   8.096
  645   2HG1  VAL  81          2HG1      VAL  81 -11.481  13.670   8.469
  646   3HG1  VAL  81          3HG1      VAL  81 -12.639  14.941   8.075
  647   1HG2  VAL  81          1HG2      VAL  81 -10.080  13.566   4.967
  648   2HG2  VAL  81          2HG2      VAL  81  -9.900  12.832   6.561
  649   3HG2  VAL  81          3HG2      VAL  81  -9.444  14.516   6.310
  650    H    SER  82           H        SER  82 -11.350  10.952   5.372
  651    HA   SER  82           HA       SER  82 -11.538   9.741   8.009
  652   1HB   SER  82          2HB       SER  82 -12.886   8.585   5.565
  653   2HB   SER  82          1HB       SER  82 -12.624   7.689   7.060
  654    HG   SER  82           HG       SER  82 -13.746  10.041   7.644
  655    H    GLU  83           H        GLU  83 -10.624   7.385   7.827
  656    HA   GLU  83           HA       GLU  83  -8.224   7.521   6.134
  657   1HB   GLU  83          2HB       GLU  83  -8.535   6.424   8.932
  658   2HB   GLU  83          1HB       GLU  83  -7.100   6.205   7.946
  659   1HG   GLU  83          2HG       GLU  83  -6.529   7.967   9.312
  660   2HG   GLU  83          1HG       GLU  83  -7.048   8.776   7.838
  661    H    PHE  84           H        PHE  84  -8.294   6.022   4.575
  662    HA   PHE  84           HA       PHE  84  -9.747   3.548   4.939
  663   1HB   PHE  84          2HB       PHE  84  -8.262   4.801   2.682
  664   2HB   PHE  84          1HB       PHE  84  -8.402   3.049   2.681
  665    HD1  PHE  84           HD2      PHE  84 -11.258   4.098   4.294
  666    HD2  PHE  84           HD1      PHE  84  -9.496   4.092   0.420
  667    HE1  PHE  84           HE2      PHE  84 -13.487   4.307   3.290
  668    HE2  PHE  84           HE1      PHE  84 -11.726   4.290  -0.597
  669    HZ   PHE  84           HZ       PHE  84 -13.727   4.399   0.831
  670    H    TYR  85           H        TYR  85  -8.958   2.095   6.200
  671    HA   TYR  85           HA       TYR  85  -6.095   1.835   6.588
  672   1HB   TYR  85          2HB       TYR  85  -7.732   1.910   8.484
  673   2HB   TYR  85          1HB       TYR  85  -8.365   0.367   7.934
  674    HD1  TYR  85           HD1      TYR  85  -4.883   1.658   8.454
  675    HD2  TYR  85           HD2      TYR  85  -7.809  -1.275   9.396
  676    HE1  TYR  85           HE1      TYR  85  -3.256   0.502   9.893
  677    HE2  TYR  85           HE2      TYR  85  -6.210  -2.431  10.837
  678    HH   TYR  85           HH       TYR  85  -3.752  -2.638  11.077
  679    H    ILE  86           H        ILE  86  -5.473   0.934   4.614
  680    HA   ILE  86           HA       ILE  86  -6.674  -1.604   3.769
  681    HB   ILE  86           HB       ILE  86  -4.372  -0.163   2.453
  682   1HG1  ILE  86          2HG1      ILE  86  -6.259   1.401   2.636
  683   2HG1  ILE  86          1HG1      ILE  86  -6.015   0.900   0.966
  684   1HG2  ILE  86          1HG2      ILE  86  -6.414  -2.130   1.422
  685   2HG2  ILE  86          2HG2      ILE  86  -4.720  -2.478   1.779
  686   3HG2  ILE  86          3HG2      ILE  86  -5.139  -1.378   0.463
  687   1HD1  ILE  86          1HD1      ILE  86  -8.367   0.993   1.518
  688   2HD1  ILE  86          2HD1      ILE  86  -8.119  -0.140   2.846
  689   3HD1  ILE  86          3HD1      ILE  86  -7.879  -0.668   1.180
  690    H    GLU  87           H        GLU  87  -5.938  -3.192   5.152
  691    HA   GLU  87           HA       GLU  87  -3.084  -3.264   5.776
  692   1HB   GLU  87          2HB       GLU  87  -4.691  -3.468   7.646
  693   2HB   GLU  87          1HB       GLU  87  -5.322  -4.940   6.924
  694   1HG   GLU  87          2HG       GLU  87  -2.420  -4.925   7.356
  695   2HG   GLU  87          1HG       GLU  87  -3.392  -4.848   8.822
  696    H    ILE  88           H        ILE  88  -1.771  -4.502   4.725
  697    HA   ILE  88           HA       ILE  88  -2.765  -6.967   3.451
  698    HB   ILE  88           HB       ILE  88  -0.662  -5.161   2.247
  699   1HG1  ILE  88          2HG1      ILE  88  -3.546  -5.415   1.377
  700   2HG1  ILE  88          1HG1      ILE  88  -2.914  -4.069   2.325
  701   1HG2  ILE  88          1HG2      ILE  88  -2.208  -7.489   1.115
  702   2HG2  ILE  88          2HG2      ILE  88  -0.515  -7.504   1.611
  703   3HG2  ILE  88          3HG2      ILE  88  -1.025  -6.514   0.243
  704   1HD1  ILE  88          1HD1      ILE  88  -1.352  -3.565   0.489
  705   2HD1  ILE  88          2HD1      ILE  88  -3.050  -3.443   0.024
  706   3HD1  ILE  88          3HD1      ILE  88  -2.103  -4.851  -0.458
  707    H    THR  89           H        THR  89  -1.911  -8.168   5.203
  708    HA   THR  89           HA       THR  89   0.861  -8.096   5.857
  709    HB   THR  89           HB       THR  89  -1.020 -10.446   6.192
  710    HG1  THR  89           HG1      THR  89  -1.752  -8.325   7.099
  711   1HG2  THR  89          1HG2      THR  89   1.420  -9.581   7.744
  712   2HG2  THR  89          2HG2      THR  89   1.353 -10.921   6.600
  713   3HG2  THR  89          3HG2      THR  89   0.417 -10.988   8.092
  714    H    GLU  90           H        GLU  90   2.507  -9.518   5.168
  715    HA   GLU  90           HA       GLU  90   2.862  -9.726   2.498
  716   1HB   GLU  90          2HB       GLU  90   4.503 -10.088   4.472
  717   2HB   GLU  90          1HB       GLU  90   4.094 -11.790   4.296
  718   1HG   GLU  90          2HG       GLU  90   5.084 -11.950   2.219
  719   2HG   GLU  90          1HG       GLU  90   4.975 -10.216   1.920
  720    H    ILE  91           H        ILE  91   2.652 -11.240   0.896
  721    HA   ILE  91           HA       ILE  91   0.079 -12.303   0.892
  722    HB   ILE  91           HB       ILE  91   1.302 -11.449  -1.105
  723   1HG1  ILE  91          2HG1      ILE  91   0.113 -14.221  -1.358
  724   2HG1  ILE  91          1HG1      ILE  91  -0.788 -12.711  -1.336
  725   1HG2  ILE  91          1HG2      ILE  91   2.746 -13.003  -2.349
  726   2HG2  ILE  91          2HG2      ILE  91   2.669 -14.130  -0.995
  727   3HG2  ILE  91          3HG2      ILE  91   3.429 -12.552  -0.786
  728   1HD1  ILE  91          1HD1      ILE  91   1.192 -13.537  -3.442
  729   2HD1  ILE  91          2HD1      ILE  91   0.254 -12.042  -3.427
  730   3HD1  ILE  91          3HD1      ILE  91  -0.564 -13.598  -3.588
  731    H    ASP  92           H        ASP  92  -0.776 -14.291   0.783
  732    HA   ASP  92           HA       ASP  92  -1.060 -16.532   0.906
  733   1HB   ASP  92          2HB       ASP  92   0.933 -16.248  -0.826
  734   2HB   ASP  92          1HB       ASP  92   1.803 -17.113   0.410
  735    H    LYS  93           H        LYS  93   1.038 -18.436   1.572
  736    HA   LYS  93           HA       LYS  93   1.158 -17.838   4.398
  737   1HB   LYS  93          2HB       LYS  93   1.247 -20.511   2.998
  738   2HB   LYS  93          1HB       LYS  93   1.442 -20.307   4.731
  739   1HG   LYS  93          2HG       LYS  93  -0.794 -20.975   4.389
  740   2HG   LYS  93          1HG       LYS  93  -0.848 -19.253   4.760
  741   1HD   LYS  93          2HD       LYS  93  -0.941 -18.822   2.283
  742   2HD   LYS  93          1HD       LYS  93  -1.116 -20.562   2.053
  743   1HE   LYS  93          2HE       LYS  93  -3.169 -20.555   3.344
  744   2HE   LYS  93          1HE       LYS  93  -2.979 -18.836   3.682
  745   1HZ   LYS  93          1HZ       LYS  93  -3.406 -20.049   0.996
  746   2HZ   LYS  93          2HZ       LYS  93  -3.197 -18.394   1.298
  747   3HZ   LYS  93          3HZ       LYS  93  -4.559 -19.200   1.902
  748    H    ASN  94           H        ASN  94   2.933 -17.398   1.931
  749    HA   ASN  94           HA       ASN  94   5.099 -16.854   1.572
  750   1HB   ASN  94          2HB       ASN  94   4.642 -15.847   3.857
  751   2HB   ASN  94          1HB       ASN  94   5.473 -17.240   4.528
  752   1HD2  ASN  94          1HD2      ASN  94   5.794 -14.275   2.787
  753   2HD2  ASN  94          2HD2      ASN  94   7.514 -14.166   2.875
  754    H    ALA  95           H        ALA  95   4.242 -19.868   2.192
  755    HA   ALA  95           HA       ALA  95   6.690 -21.045   3.110
  756   1HB   ALA  95          1HB       ALA  95   4.228 -22.383   2.008
  757   2HB   ALA  95          2HB       ALA  95   4.497 -21.967   3.700
  758   3HB   ALA  95          3HB       ALA  95   5.526 -23.160   2.911
  759    H    ASP  96           H        ASP  96   4.853 -21.456   0.066
  760    HA   ASP  96           HA       ASP  96   6.994 -22.981  -1.070
  761   1HB   ASP  96          2HB       ASP  96   4.346 -22.052  -2.155
  762   2HB   ASP  96          1HB       ASP  96   5.518 -22.905  -3.153
  763    H    SER  97           H        SER  97   7.590 -22.499  -3.421
  764    HA   SER  97           HA       SER  97   8.201 -19.689  -3.860
  765   1HB   SER  97          2HB       SER  97  10.611 -20.554  -4.331
  766   2HB   SER  97          1HB       SER  97  10.137 -20.247  -2.663
  767    HG   SER  97           HG       SER  97  10.799 -22.600  -3.918
  768    H    LEU  98           H        LEU  98   6.532 -21.762  -5.076
  769    HA   LEU  98           HA       LEU  98   7.891 -22.798  -7.371
  770   1HB   LEU  98          2HB       LEU  98   5.166 -22.968  -6.225
  771   2HB   LEU  98          1HB       LEU  98   5.334 -23.304  -7.941
  772    HG   LEU  98           HG       LEU  98   5.406 -25.381  -6.751
  773   1HD1  LEU  98          1HD1      LEU  98   8.193 -24.599  -7.594
  774   2HD1  LEU  98          2HD1      LEU  98   6.914 -25.201  -8.651
  775   3HD1  LEU  98          3HD1      LEU  98   7.595 -26.247  -7.405
  776   1HD2  LEU  98          1HD2      LEU  98   7.104 -25.856  -5.040
  777   2HD2  LEU  98          2HD2      LEU  98   6.000 -24.572  -4.546
  778   3HD2  LEU  98          3HD2      LEU  98   7.625 -24.170  -5.104
  779    H    GLU  99           H        GLU  99   6.893 -22.532  -9.574
  780    HA   GLU  99           HA       GLU  99   6.905 -19.689 -10.138
  781   1HB   GLU  99          2HB       GLU  99   7.460 -22.160 -11.689
  782   2HB   GLU  99          1HB       GLU  99   6.902 -20.749 -12.579
  783   1HG   GLU  99          2HG       GLU  99   9.304 -20.839 -10.766
  784   2HG   GLU  99          1HG       GLU  99   9.334 -20.897 -12.530
  785    H    HIS 100           H        HIS 100   5.273 -18.543 -10.795
  786    HA   HIS 100           HA       HIS 100   3.310 -17.850 -11.663
  787   1HB   HIS 100          2HB       HIS 100   4.213 -19.732 -13.418
  788   2HB   HIS 100          1HB       HIS 100   2.623 -20.369 -13.019
  789    HD1  HIS 100           HD1      HIS 100   4.312 -17.438 -14.638
  790    HD2  HIS 100           HD2      HIS 100   0.472 -18.936 -14.074
  791    HE1  HIS 100           HE1      HIS 100   2.822 -16.071 -16.141
  792    HE2  HIS 100           HE2      HIS 100   0.485 -16.899 -15.676
  793    H    HIS 101           H        HIS 101   2.267 -21.199 -11.664
  794    HA   HIS 101           HA       HIS 101   0.834 -21.226  -9.255
  795   1HB   HIS 101          2HB       HIS 101  -0.429 -19.391 -10.458
  796   2HB   HIS 101          1HB       HIS 101  -0.896 -20.587 -11.660
  797    HD1  HIS 101           HD1      HIS 101  -3.097 -21.631 -11.254
  798    HD2  HIS 101           HD2      HIS 101  -1.372 -20.230  -7.737
  799    HE1  HIS 101           HE1      HIS 101  -4.783 -22.078  -9.443
  800    HE2  HIS 101           HE2      HIS 101  -3.726 -21.221  -7.321
  801    H    HIS 102           H        HIS 102  -0.146 -23.269  -8.958
  802    HA   HIS 102           HA       HIS 102   0.830 -25.294 -10.698
  803   1HB   HIS 102          2HB       HIS 102  -0.963 -25.331  -8.293
  804   2HB   HIS 102          1HB       HIS 102  -0.723 -26.786  -9.251
  805    HD1  HIS 102           HD1      HIS 102   0.213 -26.465  -6.264
  806    HD2  HIS 102           HD2      HIS 102   2.610 -26.031  -9.637
  807    HE1  HIS 102           HE1      HIS 102   2.569 -26.880  -5.484
  808    HE2  HIS 102           HE2      HIS 102   3.943 -26.910  -7.600
  809    H    HIS 103           H        HIS 103   0.055 -25.748 -12.600
  810    HA   HIS 103           HA       HIS 103  -2.815 -26.243 -12.860
  811   1HB   HIS 103          2HB       HIS 103  -2.935 -25.208 -15.049
  812   2HB   HIS 103          1HB       HIS 103  -2.336 -24.017 -13.905
  813    HD1  HIS 103           HD1      HIS 103  -0.110 -22.944 -14.422
  814    HD2  HIS 103           HD2      HIS 103  -0.956 -26.182 -16.886
  815    HE1  HIS 103           HE1      HIS 103   1.671 -22.931 -16.198
  816    HE2  HIS 103           HE2      HIS 103   0.968 -24.735 -17.819
  817    H    HIS 104           H        HIS 104  -3.272 -28.085 -14.064
  818    HA   HIS 104           HA       HIS 104  -1.030 -29.824 -14.540
  819   1HB   HIS 104          2HB       HIS 104  -3.349 -30.538 -13.707
  820   2HB   HIS 104          1HB       HIS 104  -3.870 -30.390 -15.384
  821    HD1  HIS 104           HD1      HIS 104  -1.455 -32.338 -13.228
  822    HD2  HIS 104           HD2      HIS 104  -3.199 -32.526 -16.999
  823    HE1  HIS 104           HE1      HIS 104  -0.856 -34.600 -14.139
  824    HE2  HIS 104           HE2      HIS 104  -1.705 -34.585 -16.509
  825    H    HIS 105           H        HIS 105  -3.326 -28.010 -16.486
  826    HA   HIS 105           HA       HIS 105  -1.490 -28.067 -18.717
  827   1HB   HIS 105          2HB       HIS 105  -2.935 -30.120 -18.961
  828   2HB   HIS 105          1HB       HIS 105  -4.327 -29.052 -19.100
  829    HD1  HIS 105           HD1      HIS 105  -4.700 -27.890 -21.351
  830    HD2  HIS 105           HD2      HIS 105  -1.186 -30.110 -21.175
  831    HE1  HIS 105           HE1      HIS 105  -3.876 -28.054 -23.723
  832    HE2  HIS 105           HE2      HIS 105  -1.842 -29.532 -23.611
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   6.554   7.631   5.919
    2   2H    MET   1          2H        MET   1   5.879   6.180   5.373
    3   3H    MET   1          3H        MET   1   5.733   7.580   4.435
    4    HA   MET   1           HA       MET   1   8.183   7.632   4.228
    5   1HB   MET   1          2HB       MET   1   7.894   4.853   5.397
    6   2HB   MET   1          1HB       MET   1   9.362   5.501   4.681
    7   1HG   MET   1          2HG       MET   1   9.469   7.205   6.413
    8   2HG   MET   1          1HG       MET   1   7.985   6.581   7.128
    9   1HE   MET   1          1HE       MET   1  10.633   5.486   9.771
   10   2HE   MET   1          2HE       MET   1   9.086   6.288   9.504
   11   3HE   MET   1          3HE       MET   1  10.570   6.997   8.866
   12    H    VAL   2           H        VAL   2   9.195   6.438   2.416
   13    HA   VAL   2           HA       VAL   2   9.137   5.525   0.337
   14    HB   VAL   2           HB       VAL   2   6.599   4.156   1.263
   15   1HG1  VAL   2          1HG1      VAL   2   6.658   4.350  -1.174
   16   2HG1  VAL   2          2HG1      VAL   2   6.887   2.678  -0.659
   17   3HG1  VAL   2          3HG1      VAL   2   8.269   3.633  -1.196
   18   1HG2  VAL   2          1HG2      VAL   2   8.021   2.178   1.483
   19   2HG2  VAL   2          2HG2      VAL   2   8.583   3.489   2.521
   20   3HG2  VAL   2          3HG2      VAL   2   9.427   3.134   1.013
   21    H    LYS   3           H        LYS   3   8.668   6.509  -1.495
   22    HA   LYS   3           HA       LYS   3   6.460   8.417  -1.484
   23   1HB   LYS   3          2HB       LYS   3   9.005   8.134  -2.971
   24   2HB   LYS   3          1HB       LYS   3   7.671   8.896  -3.825
   25   1HG   LYS   3          2HG       LYS   3   7.521  10.628  -2.277
   26   2HG   LYS   3          1HG       LYS   3   8.524   9.783  -1.097
   27   1HD   LYS   3          2HD       LYS   3   9.543  10.681  -3.791
   28   2HD   LYS   3          1HD       LYS   3   9.643  11.683  -2.343
   29   1HE   LYS   3          2HE       LYS   3  11.733  10.613  -2.511
   30   2HE   LYS   3          1HE       LYS   3  10.859   9.750  -1.250
   31   1HZ   LYS   3          1HZ       LYS   3  11.853   8.112  -2.572
   32   2HZ   LYS   3          2HZ       LYS   3  11.410   8.869  -4.025
   33   3HZ   LYS   3          3HZ       LYS   3  10.233   8.123  -3.065
   34    H    THR   4           H        THR   4   7.818   6.583  -4.192
   35    HA   THR   4           HA       THR   4   5.177   6.572  -5.327
   36    HB   THR   4           HB       THR   4   7.730   5.503  -6.546
   37    HG1  THR   4           HG1      THR   4   6.699   8.087  -6.236
   38   1HG2  THR   4          1HG2      THR   4   5.115   6.377  -7.790
   39   2HG2  THR   4          2HG2      THR   4   5.689   4.715  -7.652
   40   3HG2  THR   4          3HG2      THR   4   6.551   5.865  -8.676
   41    H    LEU   5           H        LEU   5   4.136   5.073  -3.944
   42    HA   LEU   5           HA       LEU   5   4.938   2.278  -4.192
   43   1HB   LEU   5          2HB       LEU   5   4.081   3.100  -2.026
   44   2HB   LEU   5          1HB       LEU   5   2.567   3.536  -2.796
   45    HG   LEU   5           HG       LEU   5   2.169   1.143  -3.314
   46   1HD1  LEU   5          1HD1      LEU   5   3.540  -0.554  -2.223
   47   2HD1  LEU   5          2HD1      LEU   5   4.640   0.698  -1.645
   48   3HD1  LEU   5          3HD1      LEU   5   4.483   0.390  -3.375
   49   1HD2  LEU   5          1HD2      LEU   5   1.203   2.146  -1.317
   50   2HD2  LEU   5          2HD2      LEU   5   2.666   1.776  -0.406
   51   3HD2  LEU   5          3HD2      LEU   5   1.651   0.466  -1.013
   52    H    ARG   6           H        ARG   6   4.409   1.316  -6.064
   53    HA   ARG   6           HA       ARG   6   2.009   2.273  -7.453
   54   1HB   ARG   6          2HB       ARG   6   4.254   2.455  -8.571
   55   2HB   ARG   6          1HB       ARG   6   4.334   0.702  -8.583
   56   1HG   ARG   6          2HG       ARG   6   2.568   0.529 -10.116
   57   2HG   ARG   6          1HG       ARG   6   2.097   2.215  -9.884
   58   1HD   ARG   6          2HD       ARG   6   4.202   2.945 -10.886
   59   2HD   ARG   6          1HD       ARG   6   4.684   1.266 -11.108
   60    HE   ARG   6           HE       ARG   6   2.499   1.210 -12.508
   61   1HH1  ARG   6          1HH1      ARG   6   4.787   3.859 -12.343
   62   2HH1  ARG   6          2HH1      ARG   6   4.416   4.430 -13.947
   63   1HH2  ARG   6          1HH2      ARG   6   2.030   1.949 -14.606
   64   2HH2  ARG   6          2HH2      ARG   6   2.872   3.331 -15.234
   65    H    LEU   7           H        LEU   7   0.333   1.072  -6.860
   66    HA   LEU   7           HA       LEU   7   0.662  -1.830  -6.562
   67   1HB   LEU   7          2HB       LEU   7  -1.633  -0.028  -5.776
   68   2HB   LEU   7          1HB       LEU   7  -1.568  -1.757  -5.497
   69    HG   LEU   7           HG       LEU   7   0.265   0.302  -4.261
   70   1HD1  LEU   7          1HD1      LEU   7  -1.952  -1.365  -3.082
   71   2HD1  LEU   7          2HD1      LEU   7  -1.986   0.377  -3.348
   72   3HD1  LEU   7          3HD1      LEU   7  -0.864  -0.313  -2.177
   73   1HD2  LEU   7          1HD2      LEU   7   0.097  -2.676  -3.815
   74   2HD2  LEU   7          2HD2      LEU   7   1.132  -1.549  -2.938
   75   3HD2  LEU   7          3HD2      LEU   7   1.397  -1.833  -4.658
   76    H    ASN   8           H        ASN   8  -0.061  -3.174  -8.063
   77    HA   ASN   8           HA       ASN   8  -1.057  -4.000  -9.932
   78   1HB   ASN   8          2HB       ASN   8  -3.182  -1.986  -9.172
   79   2HB   ASN   8          1HB       ASN   8  -3.365  -3.129 -10.498
   80   1HD2  ASN   8          1HD2      ASN   8  -4.970  -2.904  -8.122
   81   2HD2  ASN   8          2HD2      ASN   8  -4.850  -4.416  -7.297
   82    H    ASN   9           H        ASN   9   0.833  -1.857 -10.081
   83    HA   ASN   9           HA       ASN   9   1.910  -0.658 -11.658
   84   1HB   ASN   9          2HB       ASN   9  -0.266  -1.735 -13.444
   85   2HB   ASN   9          1HB       ASN   9   0.993  -0.656 -14.032
   86   1HD2  ASN   9          1HD2      ASN   9   1.976  -2.067 -15.369
   87   2HD2  ASN   9          2HD2      ASN   9   2.802  -3.491 -14.838
   88    H    VAL  10           H        VAL  10  -0.624   0.269 -10.114
   89    HA   VAL  10           HA       VAL  10  -0.912   2.821 -11.558
   90    HB   VAL  10           HB       VAL  10  -2.623   1.760  -9.296
   91   1HG1  VAL  10          1HG1      VAL  10  -4.162   3.561  -9.927
   92   2HG1  VAL  10          2HG1      VAL  10  -3.001   4.122 -11.131
   93   3HG1  VAL  10          3HG1      VAL  10  -2.594   4.184  -9.416
   94   1HG2  VAL  10          1HG2      VAL  10  -3.211   1.826 -12.253
   95   2HG2  VAL  10          2HG2      VAL  10  -4.332   1.335 -10.984
   96   3HG2  VAL  10          3HG2      VAL  10  -2.879   0.385 -11.292
   97    H    THR  11           H        THR  11   0.085   4.565 -10.725
   98    HA   THR  11           HA       THR  11   1.712   4.326  -8.406
   99    HB   THR  11           HB       THR  11   2.377   5.772 -10.271
  100    HG1  THR  11           HG1      THR  11   3.261   7.281  -8.981
  101   1HG2  THR  11          1HG2      THR  11   0.206   6.606 -10.967
  102   2HG2  THR  11          2HG2      THR  11   1.284   7.956 -10.609
  103   3HG2  THR  11          3HG2      THR  11   0.036   7.491  -9.452
  104    H    LEU  12           H        LEU  12   1.359   4.981  -6.350
  105    HA   LEU  12           HA       LEU  12  -1.307   6.070  -5.730
  106   1HB   LEU  12          2HB       LEU  12  -1.197   3.662  -5.314
  107   2HB   LEU  12          1HB       LEU  12   0.206   3.893  -4.293
  108    HG   LEU  12           HG       LEU  12  -1.217   5.237  -2.745
  109   1HD1  LEU  12          1HD1      LEU  12  -2.945   5.877  -4.356
  110   2HD1  LEU  12          2HD1      LEU  12  -3.629   5.074  -2.942
  111   3HD1  LEU  12          3HD1      LEU  12  -3.463   4.193  -4.463
  112   1HD2  LEU  12          1HD2      LEU  12  -2.050   2.398  -3.308
  113   2HD2  LEU  12          2HD2      LEU  12  -2.373   3.275  -1.811
  114   3HD2  LEU  12          3HD2      LEU  12  -0.711   2.918  -2.287
  115    H    GLU  13           H        GLU  13  -1.451   7.464  -4.017
  116    HA   GLU  13           HA       GLU  13   1.061   8.260  -2.712
  117   1HB   GLU  13          2HB       GLU  13  -1.432   9.884  -3.274
  118   2HB   GLU  13          1HB       GLU  13  -0.114  10.438  -2.248
  119   1HG   GLU  13          2HG       GLU  13   1.423  10.305  -4.137
  120   2HG   GLU  13          1HG       GLU  13   0.114   9.732  -5.168
  121    H    MET  14           H        MET  14   0.822   8.893  -0.404
  122    HA   MET  14           HA       MET  14  -1.322   7.349   0.886
  123   1HB   MET  14          2HB       MET  14   1.650   7.069   1.376
  124   2HB   MET  14          1HB       MET  14   0.423   6.429   2.460
  125   1HG   MET  14          2HG       MET  14  -0.382   4.942   0.762
  126   2HG   MET  14          1HG       MET  14   0.679   5.674  -0.442
  127   1HE   MET  14          1HE       MET  14   3.287   5.336  -0.543
  128   2HE   MET  14          2HE       MET  14   4.216   4.567   0.743
  129   3HE   MET  14          3HE       MET  14   3.379   6.090   1.049
  130    H    ALA  15           H        ALA  15  -0.733   7.567   3.427
  131    HA   ALA  15           HA       ALA  15  -0.115  10.382   3.974
  132   1HB   ALA  15          1HB       ALA  15  -2.554  10.010   4.019
  133   2HB   ALA  15          2HB       ALA  15  -1.908  10.494   5.589
  134   3HB   ALA  15          3HB       ALA  15  -2.325   8.806   5.287
  135    H    ALA  16           H        ALA  16  -0.829   7.343   5.716
  136    HA   ALA  16           HA       ALA  16   1.750   7.679   7.093
  137   1HB   ALA  16          1HB       ALA  16  -0.766   6.545   8.308
  138   2HB   ALA  16          2HB       ALA  16  -0.122   8.159   8.612
  139   3HB   ALA  16          3HB       ALA  16   0.794   6.736   9.109
  140    H    TYR  17           H        TYR  17   2.721   6.354   5.535
  141    HA   TYR  17           HA       TYR  17   1.981   3.593   5.254
  142   1HB   TYR  17          2HB       TYR  17   3.175   4.750   3.465
  143   2HB   TYR  17          1HB       TYR  17   4.519   5.090   4.545
  144    HD1  TYR  17           HD1      TYR  17   2.808   2.474   2.602
  145    HD2  TYR  17           HD2      TYR  17   6.190   3.419   5.005
  146    HE1  TYR  17           HE1      TYR  17   3.932   0.435   1.813
  147    HE2  TYR  17           HE2      TYR  17   7.321   1.378   4.230
  148    HH   TYR  17           HH       TYR  17   6.697  -0.848   3.261
  149    H    GLN  18           H        GLN  18   2.018   2.434   7.110
  150    HA   GLN  18           HA       GLN  18   4.511   2.500   8.680
  151   1HB   GLN  18          2HB       GLN  18   2.227   3.335   9.684
  152   2HB   GLN  18          1HB       GLN  18   1.900   1.618   9.853
  153   1HG   GLN  18          2HG       GLN  18   4.510   2.503  10.866
  154   2HG   GLN  18          1HG       GLN  18   3.107   3.133  11.727
  155   1HE2  GLN  18          1HE2      GLN  18   1.790   1.740  12.853
  156   2HE2  GLN  18          2HE2      GLN  18   2.251   0.109  13.216
  157    H    GLU  19           H        GLU  19   5.626   0.648   8.673
  158    HA   GLU  19           HA       GLU  19   4.257  -1.707   7.542
  159   1HB   GLU  19          2HB       GLU  19   5.612  -0.777   5.845
  160   2HB   GLU  19          1HB       GLU  19   6.961  -0.538   6.944
  161   1HG   GLU  19          2HG       GLU  19   7.052  -3.064   7.136
  162   2HG   GLU  19          1HG       GLU  19   5.953  -3.099   5.758
  163    H    GLU  20           H        GLU  20   4.596  -3.632   8.382
  164    HA   GLU  20           HA       GLU  20   6.540  -3.990  10.561
  165   1HB   GLU  20          2HB       GLU  20   4.160  -5.598   9.627
  166   2HB   GLU  20          1HB       GLU  20   5.348  -6.257  10.744
  167   1HG   GLU  20          2HG       GLU  20   3.764  -3.747  11.240
  168   2HG   GLU  20          1HG       GLU  20   3.302  -5.347  11.820
  169    H    SER  21           H        SER  21   8.424  -4.884  10.085
  170    HA   SER  21           HA       SER  21   8.726  -6.062   7.411
  171   1HB   SER  21          2HB       SER  21  10.932  -4.998   9.173
  172   2HB   SER  21          1HB       SER  21  10.973  -5.284   7.433
  173    HG   SER  21           HG       SER  21   9.600  -3.538   7.123
  174    H    GLU  22           H        GLU  22   8.546  -6.994  10.623
  175    HA   GLU  22           HA       GLU  22  10.534  -9.082  10.264
  176   1HB   GLU  22          2HB       GLU  22   9.412  -7.866  12.722
  177   2HB   GLU  22          1HB       GLU  22  10.210  -9.435  12.777
  178   1HG   GLU  22          2HG       GLU  22  11.383  -6.836  11.863
  179   2HG   GLU  22          1HG       GLU  22  11.784  -7.742  13.325
  180    HA   PRO  23           HA       PRO  23   7.190 -11.816  11.831
  181   1HB   PRO  23          2HB       PRO  23   4.598 -11.039  11.664
  182   2HB   PRO  23          1HB       PRO  23   5.605 -10.751  13.083
  183   1HG   PRO  23          2HG       PRO  23   4.927  -8.872  10.856
  184   2HG   PRO  23          1HG       PRO  23   4.918  -8.576  12.606
  185   1HD   PRO  23          2HD       PRO  23   6.977  -7.823  11.031
  186   2HD   PRO  23          1HD       PRO  23   7.216  -8.360  12.708
  187    H    LYS  24           H        LYS  24   6.928  -9.696   9.242
  188    HA   LYS  24           HA       LYS  24   7.038 -11.507   7.183
  189   1HB   LYS  24          2HB       LYS  24   4.431 -11.466   8.206
  190   2HB   LYS  24          1HB       LYS  24   4.367 -10.398   6.813
  191   1HG   LYS  24          2HG       LYS  24   5.129 -12.120   5.356
  192   2HG   LYS  24          1HG       LYS  24   5.496 -13.182   6.714
  193   1HD   LYS  24          2HD       LYS  24   3.037 -13.104   7.279
  194   2HD   LYS  24          1HD       LYS  24   2.792 -12.310   5.722
  195   1HE   LYS  24          2HE       LYS  24   2.402 -14.715   5.557
  196   2HE   LYS  24          1HE       LYS  24   3.783 -14.224   4.579
  197   1HZ   LYS  24          1HZ       LYS  24   4.049 -15.330   7.321
  198   2HZ   LYS  24          2HZ       LYS  24   5.278 -15.100   6.177
  199   3HZ   LYS  24          3HZ       LYS  24   4.099 -16.294   5.925
  200    H    ARG  25           H        ARG  25   6.145 -10.080   5.042
  201    HA   ARG  25           HA       ARG  25   6.905  -7.324   5.668
  202   1HB   ARG  25          2HB       ARG  25   6.556  -8.733   3.027
  203   2HB   ARG  25          1HB       ARG  25   6.768  -6.990   3.153
  204   1HG   ARG  25          2HG       ARG  25   8.825  -7.929   4.686
  205   2HG   ARG  25          1HG       ARG  25   8.720  -9.143   3.414
  206   1HD   ARG  25          2HD       ARG  25   9.717  -7.769   1.979
  207   2HD   ARG  25          1HD       ARG  25   8.467  -6.552   2.246
  208    HE   ARG  25           HE       ARG  25  11.020  -6.765   3.707
  209   1HH1  ARG  25          1HH1      ARG  25   8.163  -4.963   2.805
  210   2HH1  ARG  25          2HH1      ARG  25   8.669  -3.493   3.579
  211   1HH2  ARG  25          1HH2      ARG  25  11.708  -4.824   4.736
  212   2HH2  ARG  25          2HH2      ARG  25  10.684  -3.421   4.671
  213    H    LYS  26           H        LYS  26   5.165  -6.635   6.783
  214    HA   LYS  26           HA       LYS  26   2.531  -6.773   5.465
  215   1HB   LYS  26          2HB       LYS  26   2.666  -7.986   7.590
  216   2HB   LYS  26          1HB       LYS  26   3.248  -6.536   8.392
  217   1HG   LYS  26          2HG       LYS  26   1.110  -5.432   7.930
  218   2HG   LYS  26          1HG       LYS  26   0.526  -6.911   7.159
  219   1HD   LYS  26          2HD       LYS  26   0.905  -8.116   9.289
  220   2HD   LYS  26          1HD       LYS  26   1.371  -6.587  10.035
  221   1HE   LYS  26          2HE       LYS  26  -0.848  -5.676   9.549
  222   2HE   LYS  26          1HE       LYS  26  -1.317  -7.209   8.813
  223   1HZ   LYS  26          1HZ       LYS  26  -0.944  -8.289  10.960
  224   2HZ   LYS  26          2HZ       LYS  26  -2.116  -7.069  11.077
  225   3HZ   LYS  26          3HZ       LYS  26  -0.545  -6.792  11.651
  226    H    ILE  27           H        ILE  27   2.086  -4.903   4.498
  227    HA   ILE  27           HA       ILE  27   3.023  -2.428   5.766
  228    HB   ILE  27           HB       ILE  27   2.596  -1.354   3.556
  229   1HG1  ILE  27          2HG1      ILE  27   2.230  -4.200   2.600
  230   2HG1  ILE  27          1HG1      ILE  27   0.945  -3.005   2.716
  231   1HG2  ILE  27          1HG2      ILE  27   4.570  -2.309   2.462
  232   2HG2  ILE  27          2HG2      ILE  27   4.501  -3.690   3.557
  233   3HG2  ILE  27          3HG2      ILE  27   4.824  -2.076   4.191
  234   1HD1  ILE  27          1HD1      ILE  27   3.370  -2.801   0.944
  235   2HD1  ILE  27          2HD1      ILE  27   2.051  -1.634   1.040
  236   3HD1  ILE  27          3HD1      ILE  27   1.747  -3.260   0.429
  237    H    ALA  28           H        ALA  28   1.619  -1.303   6.860
  238    HA   ALA  28           HA       ALA  28  -1.215  -1.384   6.060
  239   1HB   ALA  28          1HB       ALA  28  -1.784  -0.924   8.394
  240   2HB   ALA  28          2HB       ALA  28  -0.073  -0.953   8.821
  241   3HB   ALA  28          3HB       ALA  28  -0.863  -2.420   8.242
  242    H    PHE  29           H        PHE  29  -1.489   0.400   4.869
  243    HA   PHE  29           HA       PHE  29  -0.443   2.909   5.973
  244   1HB   PHE  29          2HB       PHE  29  -0.152   3.702   3.611
  245   2HB   PHE  29          1HB       PHE  29   0.948   2.422   4.100
  246    HD1  PHE  29           HD1      PHE  29   0.763   0.193   3.160
  247    HD2  PHE  29           HD2      PHE  29  -1.849   3.326   1.927
  248    HE1  PHE  29           HE1      PHE  29   0.116  -1.124   1.187
  249    HE2  PHE  29           HE2      PHE  29  -2.497   2.009  -0.043
  250    HZ   PHE  29           HZ       PHE  29  -1.514  -0.218  -0.416
  251    H    THR  30           H        THR  30  -1.670   4.718   5.772
  252    HA   THR  30           HA       THR  30  -4.487   4.313   5.311
  253    HB   THR  30           HB       THR  30  -4.177   7.007   5.691
  254    HG1  THR  30           HG1      THR  30  -2.596   6.552   7.702
  255   1HG2  THR  30          1HG2      THR  30  -5.731   5.543   6.853
  256   2HG2  THR  30          2HG2      THR  30  -4.850   6.559   7.998
  257   3HG2  THR  30          3HG2      THR  30  -4.404   4.863   7.795
  258    H    LEU  31           H        LEU  31  -5.256   4.377   3.314
  259    HA   LEU  31           HA       LEU  31  -4.075   6.174   1.384
  260   1HB   LEU  31          2HB       LEU  31  -5.014   3.868   0.828
  261   2HB   LEU  31          1HB       LEU  31  -6.606   4.561   1.067
  262    HG   LEU  31           HG       LEU  31  -4.704   5.781  -0.914
  263   1HD1  LEU  31          1HD1      LEU  31  -5.660   4.389  -2.657
  264   2HD1  LEU  31          2HD1      LEU  31  -6.617   3.512  -1.461
  265   3HD1  LEU  31          3HD1      LEU  31  -4.858   3.382  -1.451
  266   1HD2  LEU  31          1HD2      LEU  31  -7.713   5.637  -0.726
  267   2HD2  LEU  31          2HD2      LEU  31  -6.796   6.456  -1.991
  268   3HD2  LEU  31          3HD2      LEU  31  -6.713   7.036  -0.327
  269    H    ASN  32           H        ASN  32  -4.429   8.227   1.872
  270    HA   ASN  32           HA       ASN  32  -6.537   9.129   3.495
  271   1HB   ASN  32          2HB       ASN  32  -4.311  10.240   3.250
  272   2HB   ASN  32          1HB       ASN  32  -4.808  10.789   1.651
  273   1HD2  ASN  32          1HD2      ASN  32  -5.286  11.142   5.081
  274   2HD2  ASN  32          2HD2      ASN  32  -6.178  12.617   5.002
  275    H    VAL  33           H        VAL  33  -8.568   9.600   3.048
  276    HA   VAL  33           HA       VAL  33  -9.330   9.913   0.230
  277    HB   VAL  33           HB       VAL  33 -11.031   8.891   2.496
  278   1HG1  VAL  33          1HG1      VAL  33 -12.674   8.375   0.754
  279   2HG1  VAL  33          2HG1      VAL  33 -11.632   9.125  -0.454
  280   3HG1  VAL  33          3HG1      VAL  33 -12.343  10.104   0.829
  281   1HG2  VAL  33          1HG2      VAL  33 -10.938   6.764   1.172
  282   2HG2  VAL  33          2HG2      VAL  33  -9.421   7.235   1.938
  283   3HG2  VAL  33          3HG2      VAL  33  -9.656   7.498   0.210
  284    H    THR  34           H        THR  34  -9.200  12.112   0.036
  285    HA   THR  34           HA       THR  34 -10.410  13.852   1.979
  286    HB   THR  34           HB       THR  34  -9.872  15.647   0.336
  287    HG1  THR  34           HG1      THR  34  -8.557  14.982  -1.484
  288   1HG2  THR  34          1HG2      THR  34  -8.244  15.022   2.043
  289   2HG2  THR  34          2HG2      THR  34  -7.434  15.469   0.541
  290   3HG2  THR  34          3HG2      THR  34  -7.599  13.769   0.983
  291    H    SER  35           H        SER  35 -11.927  15.625   1.018
  292    HA   SER  35           HA       SER  35 -14.300  14.347   0.136
  293   1HB   SER  35          2HB       SER  35 -14.770  17.016  -0.230
  294   2HB   SER  35          1HB       SER  35 -14.929  16.179   1.315
  295    HG   SER  35           HG       SER  35 -13.486  18.195   1.044
  296    H    GLU  36           H        GLU  36 -11.601  15.702  -1.475
  297    HA   GLU  36           HA       GLU  36 -12.768  16.358  -3.963
  298   1HB   GLU  36          2HB       GLU  36 -10.492  17.048  -3.278
  299   2HB   GLU  36          1HB       GLU  36  -9.970  15.372  -3.361
  300   1HG   GLU  36          2HG       GLU  36  -9.224  16.367  -5.344
  301   2HG   GLU  36          1HG       GLU  36 -10.643  15.423  -5.799
  302    H    THR  37           H        THR  37 -11.052  13.413  -2.908
  303    HA   THR  37           HA       THR  37 -12.000  12.073  -5.348
  304    HB   THR  37           HB       THR  37  -9.579  12.125  -5.098
  305    HG1  THR  37           HG1      THR  37 -10.747   9.558  -4.687
  306   1HG2  THR  37          1HG2      THR  37  -9.408  12.312  -2.685
  307   2HG2  THR  37          2HG2      THR  37  -8.471  10.925  -3.246
  308   3HG2  THR  37          3HG2      THR  37 -10.045  10.682  -2.487
  309    H    TYR  38           H        TYR  38 -13.359  12.489  -2.650
  310    HA   TYR  38           HA       TYR  38 -13.509  10.135  -1.184
  311   1HB   TYR  38          2HB       TYR  38 -14.434  12.355  -0.508
  312   2HB   TYR  38          1HB       TYR  38 -15.755  12.109  -1.644
  313    HD1  TYR  38           HD1      TYR  38 -14.227  10.906   1.485
  314    HD2  TYR  38           HD2      TYR  38 -17.614  10.701  -1.079
  315    HE1  TYR  38           HE1      TYR  38 -15.478   9.736   3.246
  316    HE2  TYR  38           HE2      TYR  38 -18.876   9.527   0.677
  317    HH   TYR  38           HH       TYR  38 -17.857   9.375   3.889
  318    H    HIS  39           H        HIS  39 -15.750  11.238  -3.732
  319    HA   HIS  39           HA       HIS  39 -17.423   9.024  -3.722
  320   1HB   HIS  39          2HB       HIS  39 -18.046   9.721  -6.057
  321   2HB   HIS  39          1HB       HIS  39 -18.161  10.982  -4.841
  322    HD1  HIS  39           HD1      HIS  39 -16.597  12.994  -5.061
  323    HD2  HIS  39           HD2      HIS  39 -16.059  10.120  -8.021
  324    HE1  HIS  39           HE1      HIS  39 -15.160  14.086  -6.815
  325    HE2  HIS  39           HE2      HIS  39 -15.011  12.396  -8.677
  326    H    ASP  40           H        ASP  40 -14.312   9.382  -5.258
  327    HA   ASP  40           HA       ASP  40 -14.671   7.219  -7.109
  328   1HB   ASP  40          2HB       ASP  40 -13.046   9.174  -7.368
  329   2HB   ASP  40          1HB       ASP  40 -12.028   8.354  -6.190
  330    H    ILE  41           H        ILE  41 -12.846   7.636  -4.099
  331    HA   ILE  41           HA       ILE  41 -11.981   4.906  -4.031
  332    HB   ILE  41           HB       ILE  41 -11.938   6.893  -1.757
  333   1HG1  ILE  41          2HG1      ILE  41  -9.824   6.455  -3.880
  334   2HG1  ILE  41          1HG1      ILE  41 -10.942   7.815  -3.863
  335   1HG2  ILE  41          1HG2      ILE  41 -10.169   4.525  -2.375
  336   2HG2  ILE  41          2HG2      ILE  41 -11.448   4.559  -1.162
  337   3HG2  ILE  41          3HG2      ILE  41 -10.030   5.592  -0.977
  338   1HD1  ILE  41          1HD1      ILE  41  -8.895   7.190  -1.751
  339   2HD1  ILE  41          2HD1      ILE  41 -10.014   8.554  -1.740
  340   3HD1  ILE  41          3HD1      ILE  41  -8.773   8.441  -2.988
  341    H    ALA  42           H        ALA  42 -14.782   6.614  -2.979
  342    HA   ALA  42           HA       ALA  42 -15.691   4.852  -0.975
  343   1HB   ALA  42          1HB       ALA  42 -17.912   5.755  -1.411
  344   2HB   ALA  42          2HB       ALA  42 -17.338   6.468  -2.918
  345   3HB   ALA  42          3HB       ALA  42 -16.709   7.045  -1.375
  346    H    VAL  43           H        VAL  43 -15.546   4.611  -4.420
  347    HA   VAL  43           HA       VAL  43 -17.258   2.259  -4.509
  348    HB   VAL  43           HB       VAL  43 -15.622   3.530  -6.713
  349   1HG1  VAL  43          1HG1      VAL  43 -16.128   1.192  -7.157
  350   2HG1  VAL  43          2HG1      VAL  43 -17.062   2.241  -8.223
  351   3HG1  VAL  43          3HG1      VAL  43 -17.836   1.484  -6.831
  352   1HG2  VAL  43          1HG2      VAL  43 -18.539   3.842  -6.015
  353   2HG2  VAL  43          2HG2      VAL  43 -17.785   4.441  -7.491
  354   3HG2  VAL  43          3HG2      VAL  43 -17.293   5.086  -5.925
  355    H    LEU  44           H        LEU  44 -13.849   3.142  -4.775
  356    HA   LEU  44           HA       LEU  44 -13.059   0.363  -5.152
  357   1HB   LEU  44          2HB       LEU  44 -11.953   2.139  -6.450
  358   2HB   LEU  44          1HB       LEU  44 -11.409   2.886  -4.961
  359    HG   LEU  44           HG       LEU  44 -10.061   0.858  -4.476
  360   1HD1  LEU  44          1HD1      LEU  44  -9.680  -0.753  -6.291
  361   2HD1  LEU  44          2HD1      LEU  44 -10.941   0.038  -7.238
  362   3HD1  LEU  44          3HD1      LEU  44 -11.349  -0.769  -5.724
  363   1HD2  LEU  44          1HD2      LEU  44  -9.045   2.798  -5.547
  364   2HD2  LEU  44          2HD2      LEU  44  -9.508   2.179  -7.131
  365   3HD2  LEU  44          3HD2      LEU  44  -8.331   1.303  -6.151
  366    H    LEU  45           H        LEU  45 -13.347  -0.721  -3.230
  367    HA   LEU  45           HA       LEU  45 -12.077   0.458  -0.878
  368   1HB   LEU  45          2HB       LEU  45 -13.721  -0.549   0.555
  369   2HB   LEU  45          1HB       LEU  45 -14.518   0.444  -0.641
  370    HG   LEU  45           HG       LEU  45 -14.333  -2.565  -0.830
  371   1HD1  LEU  45          1HD1      LEU  45 -16.661  -2.575  -0.059
  372   2HD1  LEU  45          2HD1      LEU  45 -16.557  -0.841   0.246
  373   3HD1  LEU  45          3HD1      LEU  45 -15.555  -1.959   1.171
  374   1HD2  LEU  45          1HD2      LEU  45 -16.119  -0.583  -2.241
  375   2HD2  LEU  45          2HD2      LEU  45 -16.147  -2.335  -2.436
  376   3HD2  LEU  45          3HD2      LEU  45 -14.738  -1.413  -2.959
  377    H    TYR  46           H        TYR  46 -10.199  -0.488  -1.231
  378    HA   TYR  46           HA       TYR  46  -8.544  -2.030  -1.192
  379   1HB   TYR  46          2HB       TYR  46  -8.620  -3.532   0.830
  380   2HB   TYR  46          1HB       TYR  46  -8.763  -1.809   1.119
  381    HD1  TYR  46           HD1      TYR  46 -10.521  -5.033   1.206
  382    HD2  TYR  46           HD2      TYR  46 -10.775  -0.876   2.062
  383    HE1  TYR  46           HE1      TYR  46 -12.510  -5.444   2.586
  384    HE2  TYR  46           HE2      TYR  46 -12.774  -1.275   3.437
  385    HH   TYR  46           HH       TYR  46 -14.487  -2.866   3.806
  386    H    GLU  47           H        GLU  47  -8.410  -3.236  -2.977
  387    HA   GLU  47           HA       GLU  47 -10.152  -5.396  -3.608
  388   1HB   GLU  47          2HB       GLU  47  -7.398  -4.710  -4.629
  389   2HB   GLU  47          1HB       GLU  47  -8.377  -6.026  -5.259
  390   1HG   GLU  47          2HG       GLU  47 -10.104  -4.360  -5.882
  391   2HG   GLU  47          1HG       GLU  47  -8.995  -3.085  -5.371
  392    H    LYS  48           H        LYS  48  -8.609  -7.464  -4.350
  393    HA   LYS  48           HA       LYS  48  -7.777  -8.595  -1.787
  394   1HB   LYS  48          2HB       LYS  48  -8.284  -9.970  -4.433
  395   2HB   LYS  48          1HB       LYS  48  -7.988 -10.761  -2.890
  396   1HG   LYS  48          2HG       LYS  48 -10.056  -9.858  -2.006
  397   2HG   LYS  48          1HG       LYS  48 -10.345  -9.003  -3.521
  398   1HD   LYS  48          2HD       LYS  48 -10.487 -11.103  -4.718
  399   2HD   LYS  48          1HD       LYS  48 -10.103 -11.997  -3.247
  400   1HE   LYS  48          2HE       LYS  48 -12.159 -11.178  -2.212
  401   2HE   LYS  48          1HE       LYS  48 -12.539 -10.271  -3.677
  402   1HZ   LYS  48          1HZ       LYS  48 -12.236 -13.225  -3.546
  403   2HZ   LYS  48          2HZ       LYS  48 -12.714 -12.317  -4.902
  404   3HZ   LYS  48          3HZ       LYS  48 -13.719 -12.407  -3.543
  405    H    THR  49           H        THR  49  -6.721  -8.859  -5.176
  406    HA   THR  49           HA       THR  49  -4.012  -9.414  -4.278
  407    HB   THR  49           HB       THR  49  -3.671  -9.729  -6.819
  408    HG1  THR  49           HG1      THR  49  -5.922  -8.670  -7.089
  409   1HG2  THR  49          1HG2      THR  49  -4.646 -11.992  -6.742
  410   2HG2  THR  49          2HG2      THR  49  -5.537 -11.545  -5.285
  411   3HG2  THR  49          3HG2      THR  49  -3.774 -11.597  -5.261
  412    H    PHE  50           H        PHE  50  -2.559  -7.833  -4.091
  413    HA   PHE  50           HA       PHE  50  -2.776  -5.525  -5.911
  414   1HB   PHE  50          2HB       PHE  50  -1.626  -5.645  -3.115
  415   2HB   PHE  50          1HB       PHE  50  -1.486  -4.256  -4.182
  416    HD1  PHE  50           HD2      PHE  50  -3.446  -2.912  -4.731
  417    HD2  PHE  50           HD1      PHE  50  -3.665  -6.146  -1.977
  418    HE1  PHE  50           HE2      PHE  50  -5.587  -2.042  -3.888
  419    HE2  PHE  50           HE1      PHE  50  -5.803  -5.282  -1.126
  420    HZ   PHE  50           HZ       PHE  50  -6.767  -3.227  -2.082
  421    H    ASN  51           H        ASN  51  -1.330  -5.707  -7.489
  422    HA   ASN  51           HA       ASN  51   1.150  -7.107  -7.151
  423   1HB   ASN  51          2HB       ASN  51   0.035  -6.939  -9.360
  424   2HB   ASN  51          1HB       ASN  51   0.318  -5.200  -9.359
  425   1HD2  ASN  51          1HD2      ASN  51   2.403  -4.420  -9.707
  426   2HD2  ASN  51          2HD2      ASN  51   3.668  -5.421 -10.320
  427    H    VAL  52           H        VAL  52   2.413  -6.217  -5.587
  428    HA   VAL  52           HA       VAL  52   2.644  -3.351  -5.306
  429    HB   VAL  52           HB       VAL  52   4.120  -5.523  -3.804
  430   1HG1  VAL  52          1HG1      VAL  52   5.218  -3.381  -3.620
  431   2HG1  VAL  52          2HG1      VAL  52   4.430  -3.775  -2.093
  432   3HG1  VAL  52          3HG1      VAL  52   3.696  -2.603  -3.188
  433   1HG2  VAL  52          1HG2      VAL  52   2.451  -5.178  -2.029
  434   2HG2  VAL  52          2HG2      VAL  52   1.733  -5.808  -3.511
  435   3HG2  VAL  52          3HG2      VAL  52   1.554  -4.102  -3.099
  436    H    GLU  53           H        GLU  53   3.931  -2.273  -6.625
  437    HA   GLU  53           HA       GLU  53   6.616  -3.350  -7.114
  438   1HB   GLU  53          2HB       GLU  53   5.248  -3.629  -9.144
  439   2HB   GLU  53          1HB       GLU  53   4.840  -1.923  -9.114
  440   1HG   GLU  53          2HG       GLU  53   7.709  -2.685  -9.246
  441   2HG   GLU  53          1HG       GLU  53   6.715  -2.885 -10.688
  442    H    VAL  54           H        VAL  54   7.892  -2.212  -6.014
  443    HA   VAL  54           HA       VAL  54   7.882   0.670  -6.319
  444    HB   VAL  54           HB       VAL  54   6.548   0.468  -4.367
  445   1HG1  VAL  54          1HG1      VAL  54   8.631  -1.386  -3.259
  446   2HG1  VAL  54          2HG1      VAL  54   6.999  -1.823  -3.760
  447   3HG1  VAL  54          3HG1      VAL  54   7.242  -0.765  -2.369
  448   1HG2  VAL  54          1HG2      VAL  54   9.378   1.054  -3.586
  449   2HG2  VAL  54          2HG2      VAL  54   7.946   1.533  -2.675
  450   3HG2  VAL  54          3HG2      VAL  54   8.227   2.190  -4.288
  451    HA   PRO  55           HA       PRO  55  12.147  -0.709  -6.811
  452   1HB   PRO  55          2HB       PRO  55  13.076   1.747  -7.605
  453   2HB   PRO  55          1HB       PRO  55  12.297   0.594  -8.693
  454   1HG   PRO  55          2HG       PRO  55  11.127   2.974  -7.302
  455   2HG   PRO  55          1HG       PRO  55  10.888   2.430  -8.972
  456   1HD   PRO  55          2HD       PRO  55   9.060   1.965  -7.063
  457   2HD   PRO  55          1HD       PRO  55   9.378   0.784  -8.350
  458    H    GLU  56           H        GLU  56  10.911   1.901  -4.892
  459    HA   GLU  56           HA       GLU  56  13.357   2.597  -3.596
  460   1HB   GLU  56          2HB       GLU  56  11.435   4.135  -3.850
  461   2HB   GLU  56          1HB       GLU  56  10.502   3.127  -2.758
  462   1HG   GLU  56          2HG       GLU  56  11.809   3.724  -0.910
  463   2HG   GLU  56          1HG       GLU  56  13.091   4.386  -1.926
  464    H    ARG  57           H        ARG  57  10.860   0.240  -3.036
  465    HA   ARG  57           HA       ARG  57  12.184  -0.585  -0.540
  466   1HB   ARG  57          2HB       ARG  57   9.433  -1.100  -1.647
  467   2HB   ARG  57          1HB       ARG  57  10.109  -2.118  -0.388
  468   1HG   ARG  57          2HG       ARG  57  10.082   0.828   0.021
  469   2HG   ARG  57          1HG       ARG  57   8.573  -0.073   0.182
  470   1HD   ARG  57          2HD       ARG  57   9.674   0.159   2.340
  471   2HD   ARG  57          1HD       ARG  57   9.616  -1.531   1.845
  472    HE   ARG  57           HE       ARG  57  11.991  -1.287   1.212
  473   1HH1  ARG  57          1HH1      ARG  57  10.592   0.969   3.489
  474   2HH1  ARG  57          2HH1      ARG  57  12.109   1.367   4.222
  475   1HH2  ARG  57          1HH2      ARG  57  13.987  -0.782   2.180
  476   2HH2  ARG  57          2HH2      ARG  57  14.053   0.399   3.460
  477    H    ASP  58           H        ASP  58  12.627  -1.049  -3.623
  478    HA   ASP  58           HA       ASP  58  13.279  -2.701  -5.045
  479   1HB   ASP  58          2HB       ASP  58  14.188  -3.831  -2.396
  480   2HB   ASP  58          1HB       ASP  58  14.539  -4.621  -3.927
  481    H    LEU  59           H        LEU  59  10.539  -2.778  -4.289
  482    HA   LEU  59           HA       LEU  59  10.044  -5.642  -3.869
  483   1HB   LEU  59          2HB       LEU  59   8.761  -3.213  -2.918
  484   2HB   LEU  59          1HB       LEU  59   7.618  -4.368  -3.576
  485    HG   LEU  59           HG       LEU  59   9.622  -4.960  -1.396
  486   1HD1  LEU  59          1HD1      LEU  59   6.648  -4.481  -1.256
  487   2HD1  LEU  59          2HD1      LEU  59   7.907  -3.415  -0.630
  488   3HD1  LEU  59          3HD1      LEU  59   7.668  -5.012   0.081
  489   1HD2  LEU  59          1HD2      LEU  59   7.362  -6.583  -2.558
  490   2HD2  LEU  59          2HD2      LEU  59   8.325  -7.032  -1.147
  491   3HD2  LEU  59          3HD2      LEU  59   9.086  -6.910  -2.733
  492    H    ALA  60           H        ALA  60   9.633  -6.739  -5.606
  493    HA   ALA  60           HA       ALA  60   7.490  -5.724  -7.340
  494   1HB   ALA  60          1HB       ALA  60   9.852  -7.384  -8.240
  495   2HB   ALA  60          2HB       ALA  60   9.563  -5.692  -8.648
  496   3HB   ALA  60          3HB       ALA  60   8.466  -6.941  -9.240
  497    H    PHE  61           H        PHE  61   6.039  -6.793  -5.974
  498    HA   PHE  61           HA       PHE  61   6.014  -9.699  -6.090
  499   1HB   PHE  61          2HB       PHE  61   7.483  -9.224  -4.189
  500   2HB   PHE  61          1HB       PHE  61   6.270  -8.159  -3.496
  501    HD1  PHE  61           HD2      PHE  61   6.944 -11.686  -4.404
  502    HD2  PHE  61           HD1      PHE  61   4.635  -8.994  -2.054
  503    HE1  PHE  61           HE2      PHE  61   6.034 -13.584  -3.126
  504    HE2  PHE  61           HE1      PHE  61   3.726 -10.884  -0.774
  505    HZ   PHE  61           HZ       PHE  61   4.425 -13.181  -1.306
  506    H    ARG  62           H        ARG  62   3.975 -10.554  -5.683
  507    HA   ARG  62           HA       ARG  62   1.826  -8.588  -5.779
  508   1HB   ARG  62          2HB       ARG  62   1.930 -10.545  -7.373
  509   2HB   ARG  62          1HB       ARG  62   1.591 -11.587  -5.998
  510   1HG   ARG  62          2HG       ARG  62  -0.489 -10.189  -5.629
  511   2HG   ARG  62          1HG       ARG  62  -0.181  -9.500  -7.225
  512   1HD   ARG  62          2HD       ARG  62  -1.688 -11.273  -7.573
  513   2HD   ARG  62          1HD       ARG  62  -0.112 -11.878  -8.084
  514    HE   ARG  62           HE       ARG  62  -1.500 -12.597  -5.585
  515   1HH1  ARG  62          1HH1      ARG  62   0.916 -13.268  -8.037
  516   2HH1  ARG  62          2HH1      ARG  62   1.339 -14.815  -7.364
  517   1HH2  ARG  62          1HH2      ARG  62  -0.977 -14.610  -4.727
  518   2HH2  ARG  62          2HH2      ARG  62   0.249 -15.585  -5.486
  519    H    GLY  63           H        GLY  63   1.504  -7.850  -3.744
  520   1HA   GLY  63          2HA       GLY  63   1.175  -9.794  -1.578
  521   2HA   GLY  63          1HA       GLY  63   1.288  -8.046  -1.397
  522    H    GLU  64           H        GLU  64  -0.786 -10.691  -1.550
  523    HA   GLU  64           HA       GLU  64  -3.099  -8.977  -2.062
  524   1HB   GLU  64          2HB       GLU  64  -4.355 -11.177  -2.110
  525   2HB   GLU  64          1HB       GLU  64  -3.209 -10.905  -3.411
  526   1HG   GLU  64          2HG       GLU  64  -1.561 -12.273  -2.089
  527   2HG   GLU  64          1HG       GLU  64  -2.909 -12.710  -1.038
  528    H    MET  65           H        MET  65  -4.757  -8.761  -0.587
  529    HA   MET  65           HA       MET  65  -3.896  -8.479   2.056
  530   1HB   MET  65          2HB       MET  65  -6.605  -8.347   0.777
  531   2HB   MET  65          1HB       MET  65  -6.432  -8.214   2.523
  532   1HG   MET  65          2HG       MET  65  -4.800  -6.351   2.109
  533   2HG   MET  65          1HG       MET  65  -5.294  -6.407   0.417
  534   1HE   MET  65          1HE       MET  65  -5.875  -3.784   0.674
  535   2HE   MET  65          2HE       MET  65  -5.451  -3.839   2.385
  536   3HE   MET  65          3HE       MET  65  -6.999  -3.158   1.879
  537    H    THR  66           H        THR  66  -3.637  -9.882   3.607
  538    HA   THR  66           HA       THR  66  -5.004 -12.472   3.492
  539    HB   THR  66           HB       THR  66  -3.289 -13.231   5.082
  540    HG1  THR  66           HG1      THR  66  -1.965 -11.848   6.043
  541   1HG2  THR  66          1HG2      THR  66  -1.344 -13.080   3.600
  542   2HG2  THR  66          2HG2      THR  66  -2.107 -11.749   2.727
  543   3HG2  THR  66          3HG2      THR  66  -2.819 -13.363   2.672
  544    H    ASN  67           H        ASN  67  -5.534  -9.550   4.766
  545    HA   ASN  67           HA       ASN  67  -6.273 -10.345   7.451
  546   1HB   ASN  67          2HB       ASN  67  -6.847  -8.042   7.821
  547   2HB   ASN  67          1HB       ASN  67  -5.281  -8.116   7.020
  548   1HD2  ASN  67          1HD2      ASN  67  -7.324  -6.015   7.163
  549   2HD2  ASN  67          2HD2      ASN  67  -7.677  -5.637   5.522
  550    H    TYR  68           H        TYR  68  -8.543  -9.472   8.161
  551    HA   TYR  68           HA       TYR  68 -10.459 -10.512   6.176
  552   1HB   TYR  68          2HB       TYR  68 -10.611 -10.617   9.198
  553   2HB   TYR  68          1HB       TYR  68 -11.842 -11.225   8.095
  554    HD1  TYR  68           HD1      TYR  68 -11.006 -13.006   6.356
  555    HD2  TYR  68           HD2      TYR  68  -8.986 -12.071   9.984
  556    HE1  TYR  68           HE1      TYR  68  -9.855 -15.177   6.268
  557    HE2  TYR  68           HE2      TYR  68  -7.829 -14.241   9.907
  558    HH   TYR  68           HH       TYR  68  -8.256 -16.524   8.874
  559    H    SER  69           H        SER  69  -9.415  -7.753   6.834
  560    HA   SER  69           HA       SER  69 -10.157  -5.622   6.836
  561   1HB   SER  69          2HB       SER  69 -11.750  -6.393   5.110
  562   2HB   SER  69          1HB       SER  69 -12.898  -6.827   6.376
  563    HG   SER  69           HG       SER  69 -12.984  -4.621   5.241
  564    H    THR  70           H        THR  70  -9.603  -5.226   8.941
  565    HA   THR  70           HA       THR  70 -11.252  -5.881  11.159
  566    HB   THR  70           HB       THR  70  -9.168  -3.691  11.012
  567    HG1  THR  70           HG1      THR  70  -8.924  -6.427  10.890
  568   1HG2  THR  70          1HG2      THR  70  -8.914  -4.114  13.410
  569   2HG2  THR  70          2HG2      THR  70 -10.178  -5.341  13.335
  570   3HG2  THR  70          3HG2      THR  70 -10.571  -3.650  13.026
  571    H    SER  71           H        SER  71 -10.994  -3.111   9.026
  572    HA   SER  71           HA       SER  71 -13.363  -1.913  10.206
  573   1HB   SER  71          2HB       SER  71 -10.691  -0.502  10.039
  574   2HB   SER  71          1HB       SER  71 -12.217   0.288  10.413
  575    HG   SER  71           HG       SER  71 -11.617  -0.189  12.392
  576    H    LEU  72           H        LEU  72 -13.725   0.297   8.944
  577    HA   LEU  72           HA       LEU  72 -13.512  -0.342   6.097
  578   1HB   LEU  72          2HB       LEU  72 -15.272   1.369   5.782
  579   2HB   LEU  72          1HB       LEU  72 -15.767   0.058   6.830
  580    HG   LEU  72           HG       LEU  72 -14.792   2.681   7.951
  581   1HD1  LEU  72          1HD1      LEU  72 -16.633   3.167   6.422
  582   2HD1  LEU  72          2HD1      LEU  72 -17.109   3.402   8.103
  583   3HD1  LEU  72          3HD1      LEU  72 -17.630   1.958   7.233
  584   1HD2  LEU  72          1HD2      LEU  72 -16.604   0.529   9.053
  585   2HD2  LEU  72          2HD2      LEU  72 -16.144   2.017   9.882
  586   3HD2  LEU  72          3HD2      LEU  72 -14.921   0.802   9.509
  587    H    THR  73           H        THR  73 -14.158   2.890   6.308
  588    HA   THR  73           HA       THR  73 -11.514   3.710   5.554
  589    HB   THR  73           HB       THR  73 -13.657   5.661   6.335
  590    HG1  THR  73           HG1      THR  73 -14.715   5.262   4.356
  591   1HG2  THR  73          1HG2      THR  73 -11.575   6.563   5.465
  592   2HG2  THR  73          2HG2      THR  73 -12.851   6.811   4.275
  593   3HG2  THR  73          3HG2      THR  73 -11.676   5.518   4.050
  594    H    ASN  74           H        ASN  74 -11.226   2.532   7.952
  595    HA   ASN  74           HA       ASN  74 -10.663   4.716   9.836
  596   1HB   ASN  74          2HB       ASN  74 -12.434   2.354  10.293
  597   2HB   ASN  74          1HB       ASN  74 -11.373   2.835  11.606
  598   1HD2  ASN  74          1HD2      ASN  74 -12.720   5.197   9.412
  599   2HD2  ASN  74          2HD2      ASN  74 -13.838   5.881  10.551
  600    H    LEU  75           H        LEU  75  -8.434   4.543   9.737
  601    HA   LEU  75           HA       LEU  75  -7.357   1.923  10.568
  602   1HB   LEU  75          2HB       LEU  75  -6.622   2.598   8.309
  603   2HB   LEU  75          1HB       LEU  75  -5.958   4.076   8.973
  604    HG   LEU  75           HG       LEU  75  -4.221   2.903  10.109
  605   1HD1  LEU  75          1HD1      LEU  75  -5.519   1.017  10.939
  606   2HD1  LEU  75          2HD1      LEU  75  -4.058   0.460  10.124
  607   3HD1  LEU  75          3HD1      LEU  75  -5.619   0.353   9.308
  608   1HD2  LEU  75          1HD2      LEU  75  -3.861   3.230   7.711
  609   2HD2  LEU  75          2HD2      LEU  75  -4.602   1.664   7.381
  610   3HD2  LEU  75          3HD2      LEU  75  -3.086   1.752   8.277
  611    H    TYR  76           H        TYR  76  -7.137   5.419  10.871
  612    HA   TYR  76           HA       TYR  76  -6.116   5.014  13.604
  613   1HB   TYR  76          2HB       TYR  76  -4.500   6.205  12.128
  614   2HB   TYR  76          1HB       TYR  76  -5.713   7.450  11.850
  615    HD1  TYR  76           HD2      TYR  76  -4.511   5.699  14.931
  616    HD2  TYR  76           HD1      TYR  76  -5.099   9.395  12.908
  617    HE1  TYR  76           HE2      TYR  76  -3.730   6.908  16.925
  618    HE2  TYR  76           HE1      TYR  76  -4.322  10.614  14.896
  619    HH   TYR  76           HH       TYR  76  -2.806   9.031  17.551
  620    H    GLU  77           H        GLU  77  -7.441   7.950  12.143
  621    HA   GLU  77           HA       GLU  77 -10.104   7.529  12.915
  622   1HB   GLU  77          2HB       GLU  77 -10.135   9.407  14.562
  623   2HB   GLU  77          1HB       GLU  77  -9.419   7.918  15.133
  624   1HG   GLU  77          2HG       GLU  77  -7.195   8.884  14.731
  625   2HG   GLU  77          1HG       GLU  77  -7.963  10.393  14.235
  626    HA   PRO  78           HA       PRO  78  -9.969  10.715   9.751
  627   1HB   PRO  78          2HB       PRO  78 -12.688  10.094   9.129
  628   2HB   PRO  78          1HB       PRO  78 -11.240   9.631   8.237
  629   1HG   PRO  78          2HG       PRO  78 -12.904   7.881   9.583
  630   2HG   PRO  78          1HG       PRO  78 -11.227   7.544   9.125
  631   1HD   PRO  78          2HD       PRO  78 -12.345   8.375  11.768
  632   2HD   PRO  78          1HD       PRO  78 -11.009   7.260  11.404
  633    H    GLY  79           H        GLY  79 -11.159  12.643   9.276
  634   1HA   GLY  79          2HA       GLY  79 -13.139  13.489  11.280
  635   2HA   GLY  79          1HA       GLY  79 -11.706  14.481  11.038
  636    H    ALA  80           H        ALA  80 -11.928  16.119   9.643
  637    HA   ALA  80           HA       ALA  80 -14.146  16.292   7.829
  638   1HB   ALA  80          1HB       ALA  80 -13.182  18.308   8.792
  639   2HB   ALA  80          2HB       ALA  80 -13.051  18.351   7.033
  640   3HB   ALA  80          3HB       ALA  80 -11.638  17.962   8.014
  641    H    VAL  81           H        VAL  81 -11.332  14.604   7.783
  642    HA   VAL  81           HA       VAL  81 -11.524  14.152   4.890
  643    HB   VAL  81           HB       VAL  81  -9.525  15.537   5.277
  644   1HG1  VAL  81          1HG1      VAL  81  -9.075  14.966   7.590
  645   2HG1  VAL  81          2HG1      VAL  81  -7.643  14.688   6.598
  646   3HG1  VAL  81          3HG1      VAL  81  -8.634  13.326   7.119
  647   1HG2  VAL  81          1HG2      VAL  81  -7.852  14.059   4.251
  648   2HG2  VAL  81          2HG2      VAL  81  -9.437  13.893   3.496
  649   3HG2  VAL  81          3HG2      VAL  81  -8.867  12.669   4.629
  650    H    SER  82           H        SER  82 -11.216  11.947   4.309
  651    HA   SER  82           HA       SER  82 -11.442  10.138   6.606
  652   1HB   SER  82          2HB       SER  82 -12.143   9.585   3.708
  653   2HB   SER  82          1HB       SER  82 -12.507   8.568   5.101
  654    HG   SER  82           HG       SER  82 -13.399  11.228   5.059
  655    H    GLU  83           H        GLU  83 -10.587   7.835   6.014
  656    HA   GLU  83           HA       GLU  83  -8.052   7.895   4.602
  657   1HB   GLU  83          2HB       GLU  83  -6.961   6.952   6.755
  658   2HB   GLU  83          1HB       GLU  83  -7.204   8.690   6.630
  659   1HG   GLU  83          2HG       GLU  83  -8.938   8.696   8.153
  660   2HG   GLU  83          1HG       GLU  83  -9.287   6.985   7.920
  661    H    PHE  84           H        PHE  84  -8.138   6.055   3.427
  662    HA   PHE  84           HA       PHE  84  -9.802   3.879   4.285
  663   1HB   PHE  84          2HB       PHE  84  -8.516   4.681   1.821
  664   2HB   PHE  84          1HB       PHE  84  -8.288   2.961   2.129
  665    HD1  PHE  84           HD1      PHE  84 -11.009   5.486   2.393
  666    HD2  PHE  84           HD2      PHE  84  -9.879   1.555   1.255
  667    HE1  PHE  84           HE1      PHE  84 -13.302   5.069   1.627
  668    HE2  PHE  84           HE2      PHE  84 -12.177   1.118   0.486
  669    HZ   PHE  84           HZ       PHE  84 -13.895   2.875   0.669
  670    H    TYR  85           H        TYR  85  -9.272   2.312   5.523
  671    HA   TYR  85           HA       TYR  85  -6.598   1.840   6.390
  672   1HB   TYR  85          2HB       TYR  85  -7.986   1.381   8.122
  673   2HB   TYR  85          1HB       TYR  85  -9.323   0.952   7.072
  674    HD1  TYR  85           HD2      TYR  85  -5.992  -0.462   8.080
  675    HD2  TYR  85           HD1      TYR  85 -10.095  -1.164   7.215
  676    HE1  TYR  85           HE2      TYR  85  -5.705  -2.834   8.655
  677    HE2  TYR  85           HE1      TYR  85  -9.828  -3.526   7.796
  678    HH   TYR  85           HH       TYR  85  -6.948  -4.750   9.288
  679    H    ILE  86           H        ILE  86  -5.269   1.093   4.862
  680    HA   ILE  86           HA       ILE  86  -6.125  -1.247   3.283
  681    HB   ILE  86           HB       ILE  86  -3.777   0.589   2.773
  682   1HG1  ILE  86          2HG1      ILE  86  -5.912   1.804   2.531
  683   2HG1  ILE  86          1HG1      ILE  86  -5.115   1.579   0.979
  684   1HG2  ILE  86          1HG2      ILE  86  -3.506  -1.637   1.866
  685   2HG2  ILE  86          2HG2      ILE  86  -3.769  -0.475   0.565
  686   3HG2  ILE  86          3HG2      ILE  86  -5.083  -1.533   1.082
  687   1HD1  ILE  86          1HD1      ILE  86  -7.403  -0.070   2.022
  688   2HD1  ILE  86          2HD1      ILE  86  -6.626  -0.245   0.448
  689   3HD1  ILE  86          3HD1      ILE  86  -7.520   1.227   0.834
  690    H    GLU  87           H        GLU  87  -5.560  -3.012   4.489
  691    HA   GLU  87           HA       GLU  87  -2.864  -3.066   5.662
  692   1HB   GLU  87          2HB       GLU  87  -4.795  -3.406   7.207
  693   2HB   GLU  87          1HB       GLU  87  -5.214  -4.853   6.303
  694   1HG   GLU  87          2HG       GLU  87  -3.046  -5.835   6.891
  695   2HG   GLU  87          1HG       GLU  87  -2.664  -4.392   7.830
  696    H    ILE  88           H        ILE  88  -1.543  -3.857   4.120
  697    HA   ILE  88           HA       ILE  88  -2.382  -6.331   2.745
  698    HB   ILE  88           HB       ILE  88  -0.254  -4.349   1.903
  699   1HG1  ILE  88          2HG1      ILE  88  -3.024  -4.857   0.789
  700   2HG1  ILE  88          1HG1      ILE  88  -2.516  -3.423   1.678
  701   1HG2  ILE  88          1HG2      ILE  88   0.283  -6.591   1.179
  702   2HG2  ILE  88          2HG2      ILE  88  -0.245  -5.634  -0.206
  703   3HG2  ILE  88          3HG2      ILE  88  -1.342  -6.803   0.528
  704   1HD1  ILE  88          1HD1      ILE  88  -2.604  -3.004  -0.707
  705   2HD1  ILE  88          2HD1      ILE  88  -1.460  -4.318  -0.990
  706   3HD1  ILE  88          3HD1      ILE  88  -0.950  -2.878  -0.105
  707    H    THR  89           H        THR  89  -1.656  -7.974   3.894
  708    HA   THR  89           HA       THR  89   1.056  -7.879   4.976
  709    HB   THR  89           HB       THR  89  -0.964 -10.094   5.348
  710    HG1  THR  89           HG1      THR  89  -1.181  -7.603   6.185
  711   1HG2  THR  89          1HG2      THR  89   1.408  -9.214   7.001
  712   2HG2  THR  89          2HG2      THR  89   1.371 -10.617   5.933
  713   3HG2  THR  89          3HG2      THR  89   0.338 -10.568   7.362
  714    H    GLU  90           H        GLU  90   2.657  -9.146   4.206
  715    HA   GLU  90           HA       GLU  90   2.782 -10.020   1.628
  716   1HB   GLU  90          2HB       GLU  90   4.734  -9.712   3.032
  717   2HB   GLU  90          1HB       GLU  90   4.259 -11.067   4.043
  718   1HG   GLU  90          2HG       GLU  90   4.624 -12.598   2.201
  719   2HG   GLU  90          1HG       GLU  90   5.049 -11.249   1.146
  720    H    ILE  91           H        ILE  91   1.936 -11.634   0.515
  721    HA   ILE  91           HA       ILE  91   0.287 -13.615   1.704
  722    HB   ILE  91           HB       ILE  91  -0.041 -12.740  -0.610
  723   1HG1  ILE  91          2HG1      ILE  91   0.099 -15.649   0.047
  724   2HG1  ILE  91          1HG1      ILE  91  -1.302 -14.634  -0.275
  725   1HG2  ILE  91          1HG2      ILE  91   2.321 -14.474  -1.310
  726   2HG2  ILE  91          2HG2      ILE  91   2.319 -12.711  -1.287
  727   3HG2  ILE  91          3HG2      ILE  91   1.306 -13.579  -2.441
  728   1HD1  ILE  91          1HD1      ILE  91  -0.773 -14.659  -2.654
  729   2HD1  ILE  91          2HD1      ILE  91  -0.998 -16.288  -2.015
  730   3HD1  ILE  91          3HD1      ILE  91   0.628 -15.681  -2.329
  731    H    ASP  92           H        ASP  92   0.626 -15.890   1.757
  732    HA   ASP  92           HA       ASP  92   3.209 -16.706   2.535
  733   1HB   ASP  92          2HB       ASP  92   0.846 -18.405   1.729
  734   2HB   ASP  92          1HB       ASP  92   2.286 -18.994   2.542
  735    H    LYS  93           H        LYS  93   4.456 -18.433   1.531
  736    HA   LYS  93           HA       LYS  93   4.600 -17.963  -1.379
  737   1HB   LYS  93          2HB       LYS  93   6.818 -18.721   0.515
  738   2HB   LYS  93          1HB       LYS  93   6.996 -18.300  -1.183
  739   1HG   LYS  93          2HG       LYS  93   6.274 -16.019  -0.709
  740   2HG   LYS  93          1HG       LYS  93   6.043 -16.437   0.991
  741   1HD   LYS  93          2HD       LYS  93   8.481 -17.075   1.045
  742   2HD   LYS  93          1HD       LYS  93   8.625 -16.355  -0.560
  743   1HE   LYS  93          2HE       LYS  93   7.711 -14.932   1.940
  744   2HE   LYS  93          1HE       LYS  93   9.304 -14.792   1.203
  745   1HZ   LYS  93          1HZ       LYS  93   7.822 -12.944   0.629
  746   2HZ   LYS  93          2HZ       LYS  93   6.760 -14.032  -0.119
  747   3HZ   LYS  93          3HZ       LYS  93   8.318 -13.817  -0.745
  748    H    ASN  94           H        ASN  94   3.151 -19.987   0.197
  749    HA   ASN  94           HA       ASN  94   4.481 -22.515  -0.064
  750   1HB   ASN  94          2HB       ASN  94   2.649 -21.768   1.589
  751   2HB   ASN  94          1HB       ASN  94   1.560 -22.166   0.267
  752   1HD2  ASN  94          1HD2      ASN  94   0.604 -23.837   1.445
  753   2HD2  ASN  94          2HD2      ASN  94   1.421 -25.339   1.729
  754    H    ALA  95           H        ALA  95   4.691 -21.691  -2.445
  755    HA   ALA  95           HA       ALA  95   4.472 -22.324  -4.587
  756   1HB   ALA  95          1HB       ALA  95   3.471 -24.458  -5.116
  757   2HB   ALA  95          2HB       ALA  95   2.633 -24.474  -3.564
  758   3HB   ALA  95          3HB       ALA  95   4.391 -24.590  -3.617
  759    H    ASP  96           H        ASP  96   2.305 -23.334  -6.048
  760    HA   ASP  96           HA       ASP  96   0.588 -20.974  -6.099
  761   1HB   ASP  96          2HB       ASP  96   1.616 -21.601  -8.204
  762   2HB   ASP  96          1HB       ASP  96   0.946 -23.220  -8.092
  763    H    SER  97           H        SER  97  -1.692 -21.319  -6.618
  764    HA   SER  97           HA       SER  97  -2.946 -23.740  -5.699
  765   1HB   SER  97          2HB       SER  97  -2.417 -22.691  -3.546
  766   2HB   SER  97          1HB       SER  97  -3.187 -21.194  -4.069
  767    HG   SER  97           HG       SER  97  -5.129 -22.554  -4.333
  768    H    LEU  98           H        LEU  98  -2.883 -21.978  -8.067
  769    HA   LEU  98           HA       LEU  98  -5.585 -20.845  -7.990
  770   1HB   LEU  98          2HB       LEU  98  -3.125 -20.086  -9.460
  771   2HB   LEU  98          1HB       LEU  98  -4.667 -19.787 -10.239
  772    HG   LEU  98           HG       LEU  98  -4.022 -17.790  -9.132
  773   1HD1  LEU  98          1HD1      LEU  98  -6.383 -18.337  -9.006
  774   2HD1  LEU  98          2HD1      LEU  98  -5.866 -17.438  -7.580
  775   3HD1  LEU  98          3HD1      LEU  98  -6.116 -19.181  -7.481
  776   1HD2  LEU  98          1HD2      LEU  98  -3.557 -17.680  -6.726
  777   2HD2  LEU  98          2HD2      LEU  98  -2.396 -18.700  -7.577
  778   3HD2  LEU  98          3HD2      LEU  98  -3.689 -19.437  -6.632
  779    H    GLU  99           H        GLU  99  -7.098 -21.885  -8.874
  780    HA   GLU  99           HA       GLU  99  -6.843 -22.910 -11.578
  781   1HB   GLU  99          2HB       GLU  99  -7.710 -24.607  -9.242
  782   2HB   GLU  99          1HB       GLU  99  -8.288 -24.928 -10.870
  783   1HG   GLU  99          2HG       GLU  99  -5.803 -25.004 -11.510
  784   2HG   GLU  99          1HG       GLU  99  -5.518 -25.162  -9.776
  785    H    HIS 100           H        HIS 100  -9.129 -23.548 -12.344
  786    HA   HIS 100           HA       HIS 100 -11.340 -23.106 -12.659
  787   1HB   HIS 100          2HB       HIS 100 -11.247 -21.887  -9.888
  788   2HB   HIS 100          1HB       HIS 100 -12.712 -22.107 -10.835
  789    HD1  HIS 100           HD1      HIS 100 -10.435 -23.844  -8.528
  790    HD2  HIS 100           HD2      HIS 100 -13.464 -24.869 -11.188
  791    HE1  HIS 100           HE1      HIS 100 -11.104 -26.185  -7.922
  792    HE2  HIS 100           HE2      HIS 100 -13.082 -26.694  -9.391
  793    H    HIS 101           H        HIS 101  -9.628 -20.409 -11.117
  794    HA   HIS 101           HA       HIS 101 -10.651 -18.631 -13.219
  795   1HB   HIS 101          2HB       HIS 101 -11.143 -16.883 -11.608
  796   2HB   HIS 101          1HB       HIS 101 -12.043 -18.330 -11.177
  797    HD1  HIS 101           HD1      HIS 101  -9.525 -15.954  -9.917
  798    HD2  HIS 101           HD2      HIS 101 -11.026 -19.679  -8.839
  799    HE1  HIS 101           HE1      HIS 101  -8.798 -16.314  -7.542
  800    HE2  HIS 101           HE2      HIS 101  -9.526 -18.664  -6.988
  801    H    HIS 102           H        HIS 102  -9.471 -16.521 -13.192
  802    HA   HIS 102           HA       HIS 102  -6.617 -16.889 -12.483
  803   1HB   HIS 102          2HB       HIS 102  -7.689 -14.912 -14.499
  804   2HB   HIS 102          1HB       HIS 102  -6.044 -15.501 -14.328
  805    HD1  HIS 102           HD1      HIS 102  -9.232 -16.138 -16.024
  806    HD2  HIS 102           HD2      HIS 102  -5.649 -18.156 -15.369
  807    HE1  HIS 102           HE1      HIS 102  -9.208 -18.044 -17.678
  808    HE2  HIS 102           HE2      HIS 102  -6.958 -19.148 -17.373
  809    H    HIS 103           H        HIS 103  -6.157 -14.019 -13.002
  810    HA   HIS 103           HA       HIS 103  -7.126 -12.907 -10.526
  811   1HB   HIS 103          2HB       HIS 103  -5.629 -11.575 -12.800
  812   2HB   HIS 103          1HB       HIS 103  -5.936 -10.862 -11.219
  813    HD1  HIS 103           HD1      HIS 103  -3.176 -11.928 -12.816
  814    HD2  HIS 103           HD2      HIS 103  -4.930 -13.264  -9.289
  815    HE1  HIS 103           HE1      HIS 103  -1.344 -13.087 -11.540
  816    HE2  HIS 103           HE2      HIS 103  -2.490 -14.086  -9.527
  817    H    HIS 104           H        HIS 104  -8.829 -11.637 -10.250
  818    HA   HIS 104           HA       HIS 104 -10.884 -10.843 -10.506
  819   1HB   HIS 104          2HB       HIS 104 -11.354  -9.170 -12.171
  820   2HB   HIS 104          1HB       HIS 104  -9.742  -8.949 -11.522
  821    HD1  HIS 104           HD1      HIS 104  -7.952  -8.588 -13.177
  822    HD2  HIS 104           HD2      HIS 104 -11.312 -10.355 -14.884
  823    HE1  HIS 104           HE1      HIS 104  -7.517  -8.628 -15.658
  824    HE2  HIS 104           HE2      HIS 104  -9.659  -9.486 -16.675
  825    H    HIS 105           H        HIS 105  -9.914 -12.645 -13.402
  826    HA   HIS 105           HA       HIS 105 -12.436 -14.057 -13.211
  827   1HB   HIS 105          2HB       HIS 105 -12.989 -12.228 -14.783
  828   2HB   HIS 105          1HB       HIS 105 -11.648 -12.724 -15.813
  829    HD1  HIS 105           HD1      HIS 105 -11.928 -14.946 -17.148
  830    HD2  HIS 105           HD2      HIS 105 -15.277 -13.825 -14.953
  831    HE1  HIS 105           HE1      HIS 105 -13.804 -16.390 -17.991
  832    HE2  HIS 105           HE2      HIS 105 -15.725 -15.899 -16.439
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  11.672   5.406   4.116
    2   2H    MET   1          2H        MET   1  10.386   5.139   5.191
    3   3H    MET   1          3H        MET   1  11.320   6.550   5.324
    4    HA   MET   1           HA       MET   1   9.240   7.072   4.319
    5   1HB   MET   1          2HB       MET   1  11.660   7.156   2.548
    6   2HB   MET   1          1HB       MET   1  10.125   7.803   1.990
    7   1HG   MET   1          2HG       MET   1  10.082   9.331   3.898
    8   2HG   MET   1          1HG       MET   1  11.630   8.687   4.441
    9   1HE   MET   1          1HE       MET   1  12.475  11.257   4.502
   10   2HE   MET   1          2HE       MET   1  10.934  11.812   3.848
   11   3HE   MET   1          3HE       MET   1  12.445  12.317   3.093
   12    H    VAL   2           H        VAL   2  10.946   5.231   1.792
   13    HA   VAL   2           HA       VAL   2  10.163   3.922   0.098
   14    HB   VAL   2           HB       VAL   2   7.886   3.143   1.936
   15   1HG1  VAL   2          1HG1      VAL   2   7.992   1.009   0.735
   16   2HG1  VAL   2          2HG1      VAL   2   9.282   1.648  -0.283
   17   3HG1  VAL   2          3HG1      VAL   2   7.668   2.357  -0.355
   18   1HG2  VAL   2          1HG2      VAL   2   9.973   2.923   3.164
   19   2HG2  VAL   2          2HG2      VAL   2  10.665   1.981   1.844
   20   3HG2  VAL   2          3HG2      VAL   2   9.307   1.340   2.769
   21    H    LYS   3           H        LYS   3   9.554   6.561  -0.002
   22    HA   LYS   3           HA       LYS   3   6.720   6.936  -0.424
   23   1HB   LYS   3          2HB       LYS   3   8.268   8.662   0.608
   24   2HB   LYS   3          1HB       LYS   3   8.939   8.897  -1.002
   25   1HG   LYS   3          2HG       LYS   3   6.713   9.514  -1.822
   26   2HG   LYS   3          1HG       LYS   3   6.076   9.329  -0.188
   27   1HD   LYS   3          2HD       LYS   3   7.675  11.078   0.568
   28   2HD   LYS   3          1HD       LYS   3   8.151  11.313  -1.116
   29   1HE   LYS   3          2HE       LYS   3   5.402  11.710   0.055
   30   2HE   LYS   3          1HE       LYS   3   6.507  12.972  -0.493
   31   1HZ   LYS   3          1HZ       LYS   3   6.262  12.290  -2.719
   32   2HZ   LYS   3          2HZ       LYS   3   4.689  12.334  -2.081
   33   3HZ   LYS   3          3HZ       LYS   3   5.476  10.849  -2.291
   34    H    THR   4           H        THR   4   9.630   6.492  -2.310
   35    HA   THR   4           HA       THR   4   8.337   6.896  -4.838
   36    HB   THR   4           HB       THR   4  10.764   5.148  -4.556
   37    HG1  THR   4           HG1      THR   4  10.939   7.995  -4.553
   38   1HG2  THR   4          1HG2      THR   4   9.942   7.287  -6.525
   39   2HG2  THR   4          2HG2      THR   4   9.828   5.544  -6.775
   40   3HG2  THR   4          3HG2      THR   4  11.409   6.313  -6.622
   41    H    LEU   5           H        LEU   5   6.441   5.649  -4.556
   42    HA   LEU   5           HA       LEU   5   6.834   2.757  -4.806
   43   1HB   LEU   5          2HB       LEU   5   6.392   3.283  -2.433
   44   2HB   LEU   5          1HB       LEU   5   4.905   4.093  -2.900
   45    HG   LEU   5           HG       LEU   5   4.126   1.872  -3.837
   46   1HD1  LEU   5          1HD1      LEU   5   6.509   0.892  -2.277
   47   2HD1  LEU   5          2HD1      LEU   5   6.296   0.803  -4.027
   48   3HD1  LEU   5          3HD1      LEU   5   5.240  -0.124  -2.958
   49   1HD2  LEU   5          1HD2      LEU   5   4.684   2.098  -0.882
   50   2HD2  LEU   5          2HD2      LEU   5   3.529   0.989  -1.617
   51   3HD2  LEU   5          3HD2      LEU   5   3.278   2.729  -1.739
   52    H    ARG   6           H        ARG   6   5.493   1.826  -6.260
   53    HA   ARG   6           HA       ARG   6   3.081   3.298  -7.032
   54   1HB   ARG   6          2HB       ARG   6   3.434   2.843  -9.383
   55   2HB   ARG   6          1HB       ARG   6   4.811   3.723  -8.739
   56   1HG   ARG   6          2HG       ARG   6   6.119   1.688  -8.664
   57   2HG   ARG   6          1HG       ARG   6   4.729   0.749  -9.210
   58   1HD   ARG   6          2HD       ARG   6   4.700   2.162 -11.280
   59   2HD   ARG   6          1HD       ARG   6   6.221   2.871 -10.740
   60    HE   ARG   6           HE       ARG   6   6.408   0.047 -10.786
   61   1HH1  ARG   6          1HH1      ARG   6   6.282   2.810 -12.944
   62   2HH1  ARG   6          2HH1      ARG   6   7.236   2.037 -14.184
   63   1HH2  ARG   6          1HH2      ARG   6   7.608  -0.986 -12.422
   64   2HH2  ARG   6          2HH2      ARG   6   7.968  -0.121 -13.893
   65    H    LEU   7           H        LEU   7   1.317   2.078  -7.500
   66    HA   LEU   7           HA       LEU   7   1.599  -0.840  -7.153
   67   1HB   LEU   7          2HB       LEU   7  -0.770   0.920  -6.495
   68   2HB   LEU   7          1HB       LEU   7  -0.718  -0.822  -6.313
   69    HG   LEU   7           HG       LEU   7   0.934   1.174  -4.761
   70   1HD1  LEU   7          1HD1      LEU   7  -0.394   0.439  -2.855
   71   2HD1  LEU   7          2HD1      LEU   7  -1.338  -0.611  -3.911
   72   3HD1  LEU   7          3HD1      LEU   7  -1.413   1.140  -4.112
   73   1HD2  LEU   7          1HD2      LEU   7   2.179  -0.884  -5.146
   74   2HD2  LEU   7          2HD2      LEU   7   0.815  -1.833  -4.556
   75   3HD2  LEU   7          3HD2      LEU   7   1.681  -0.757  -3.458
   76    H    ASN   8           H        ASN   8   1.294  -1.886  -8.993
   77    HA   ASN   8           HA       ASN   8   0.646  -2.418 -11.103
   78   1HB   ASN   8          2HB       ASN   8  -1.848  -1.005 -10.154
   79   2HB   ASN   8          1HB       ASN   8  -1.739  -1.793 -11.723
   80   1HD2  ASN   8          1HD2      ASN   8  -3.312  -3.281 -11.249
   81   2HD2  ASN   8          2HD2      ASN   8  -3.076  -4.578 -10.133
   82    H    ASN   9           H        ASN   9   2.321  -0.290 -10.926
   83    HA   ASN   9           HA       ASN   9   3.308   1.185 -12.341
   84   1HB   ASN   9          2HB       ASN   9   0.859   0.684 -14.017
   85   2HB   ASN   9          1HB       ASN   9   2.082   1.861 -14.482
   86   1HD2  ASN   9          1HD2      ASN   9   1.175  -0.716 -15.666
   87   2HD2  ASN   9          2HD2      ASN   9   2.628  -1.637 -15.879
   88    H    VAL  10           H        VAL  10   0.470   1.736 -10.686
   89    HA   VAL  10           HA       VAL  10   0.318   4.566 -11.383
   90    HB   VAL  10           HB       VAL  10  -1.406   2.929  -9.514
   91   1HG1  VAL  10          1HG1      VAL  10  -1.766   5.764 -10.490
   92   2HG1  VAL  10          2HG1      VAL  10  -1.307   5.287  -8.855
   93   3HG1  VAL  10          3HG1      VAL  10  -2.898   4.860  -9.484
   94   1HG2  VAL  10          1HG2      VAL  10  -3.105   3.154 -11.277
   95   2HG2  VAL  10          2HG2      VAL  10  -1.678   2.283 -11.839
   96   3HG2  VAL  10          3HG2      VAL  10  -1.919   3.967 -12.298
   97    H    THR  11           H        THR  11   1.561   5.928 -10.346
   98    HA   THR  11           HA       THR  11   3.041   5.211  -8.034
   99    HB   THR  11           HB       THR  11   3.865   7.535  -8.106
  100    HG1  THR  11           HG1      THR  11   1.666   8.284  -8.925
  101   1HG2  THR  11          1HG2      THR  11   3.656   6.186 -10.802
  102   2HG2  THR  11          2HG2      THR  11   4.900   5.910  -9.582
  103   3HG2  THR  11          3HG2      THR  11   4.797   7.470 -10.400
  104    H    LEU  12           H        LEU  12   2.611   5.549  -5.916
  105    HA   LEU  12           HA       LEU  12  -0.013   6.748  -5.323
  106   1HB   LEU  12          2HB       LEU  12   0.261   4.302  -4.908
  107   2HB   LEU  12          1HB       LEU  12   1.504   4.681  -3.732
  108    HG   LEU  12           HG       LEU  12  -0.185   5.926  -2.399
  109   1HD1  LEU  12          1HD1      LEU  12  -1.732   6.507  -4.170
  110   2HD1  LEU  12          2HD1      LEU  12  -2.562   5.583  -2.918
  111   3HD1  LEU  12          3HD1      LEU  12  -2.106   4.803  -4.431
  112   1HD2  LEU  12          1HD2      LEU  12  -0.893   3.057  -3.004
  113   2HD2  LEU  12          2HD2      LEU  12  -1.325   3.951  -1.545
  114   3HD2  LEU  12          3HD2      LEU  12   0.367   3.598  -1.893
  115    H    GLU  13           H        GLU  13  -0.270   7.910  -3.378
  116    HA   GLU  13           HA       GLU  13   2.209   8.940  -2.173
  117   1HB   GLU  13          2HB       GLU  13   1.014  10.683  -3.438
  118   2HB   GLU  13          1HB       GLU  13  -0.454  10.346  -2.534
  119   1HG   GLU  13          2HG       GLU  13   0.595  12.340  -1.694
  120   2HG   GLU  13          1HG       GLU  13   0.657  11.071  -0.474
  121    H    MET  14           H        MET  14   2.417   8.482  -0.057
  122    HA   MET  14           HA       MET  14   0.018   7.653   1.429
  123   1HB   MET  14          2HB       MET  14   2.739   6.386   1.786
  124   2HB   MET  14          1HB       MET  14   1.234   5.904   2.546
  125   1HG   MET  14          2HG       MET  14   1.654   4.298   0.898
  126   2HG   MET  14          1HG       MET  14   0.397   5.337   0.229
  127   1HE   MET  14          1HE       MET  14   4.338   4.887   0.357
  128   2HE   MET  14          2HE       MET  14   4.033   6.618   0.528
  129   3HE   MET  14          3HE       MET  14   4.807   5.998  -0.932
  130    H    ALA  15           H        ALA  15  -0.253   9.087   2.962
  131    HA   ALA  15           HA       ALA  15   1.759  10.888   3.828
  132   1HB   ALA  15          1HB       ALA  15  -0.608  11.455   3.817
  133   2HB   ALA  15          2HB       ALA  15   0.089  11.655   5.428
  134   3HB   ALA  15          3HB       ALA  15  -0.909  10.245   5.064
  135    H    ALA  16           H        ALA  16   0.194   8.104   5.362
  136    HA   ALA  16           HA       ALA  16   2.554   7.887   7.102
  137   1HB   ALA  16          1HB       ALA  16   0.616   8.599   8.418
  138   2HB   ALA  16          2HB       ALA  16   1.146   6.980   8.870
  139   3HB   ALA  16          3HB       ALA  16  -0.281   7.189   7.856
  140    H    TYR  17           H        TYR  17   3.456   6.538   5.500
  141    HA   TYR  17           HA       TYR  17   2.173   4.058   4.813
  142   1HB   TYR  17          2HB       TYR  17   3.761   5.203   3.278
  143   2HB   TYR  17          1HB       TYR  17   5.058   4.904   4.429
  144    HD1  TYR  17           HD1      TYR  17   2.563   3.182   2.283
  145    HD2  TYR  17           HD2      TYR  17   6.272   2.896   4.346
  146    HE1  TYR  17           HE1      TYR  17   2.987   1.012   1.207
  147    HE2  TYR  17           HE2      TYR  17   6.709   0.725   3.279
  148    HH   TYR  17           HH       TYR  17   5.482  -1.088   2.226
  149    H    GLN  18           H        GLN  18   1.756   2.959   6.706
  150    HA   GLN  18           HA       GLN  18   3.997   2.438   8.503
  151   1HB   GLN  18          2HB       GLN  18   1.848   3.189   9.467
  152   2HB   GLN  18          1HB       GLN  18   1.062   1.766   8.800
  153   1HG   GLN  18          2HG       GLN  18   2.453   0.335  10.188
  154   2HG   GLN  18          1HG       GLN  18   3.274   1.753  10.835
  155   1HE2  GLN  18          1HE2      GLN  18   2.693   1.352  12.922
  156   2HE2  GLN  18          2HE2      GLN  18   1.068   1.535  13.506
  157    H    GLU  19           H        GLU  19   4.929   0.455   8.687
  158    HA   GLU  19           HA       GLU  19   3.681  -1.720   7.174
  159   1HB   GLU  19          2HB       GLU  19   5.981  -2.448   6.470
  160   2HB   GLU  19          1HB       GLU  19   5.407  -0.963   5.729
  161   1HG   GLU  19          2HG       GLU  19   7.682  -0.639   6.257
  162   2HG   GLU  19          1HG       GLU  19   6.754   0.297   7.422
  163    H    GLU  20           H        GLU  20   4.408  -3.823   7.746
  164    HA   GLU  20           HA       GLU  20   5.845  -4.132  10.284
  165   1HB   GLU  20          2HB       GLU  20   3.236  -5.462   9.500
  166   2HB   GLU  20          1HB       GLU  20   4.271  -6.061  10.785
  167   1HG   GLU  20          2HG       GLU  20   3.063  -3.307  10.742
  168   2HG   GLU  20          1HG       GLU  20   2.338  -4.698  11.548
  169    H    SER  21           H        SER  21   7.584  -5.319   9.803
  170    HA   SER  21           HA       SER  21   7.406  -7.019   7.420
  171   1HB   SER  21          2HB       SER  21   9.810  -5.758   8.752
  172   2HB   SER  21          1HB       SER  21   9.884  -6.813   7.342
  173    HG   SER  21           HG       SER  21   8.652  -4.257   7.549
  174    H    GLU  22           H        GLU  22   7.699  -7.220  10.834
  175    HA   GLU  22           HA       GLU  22   9.111  -9.747  10.550
  176   1HB   GLU  22          2HB       GLU  22   8.914  -7.979  12.950
  177   2HB   GLU  22          1HB       GLU  22   9.586  -9.605  13.013
  178   1HG   GLU  22          2HG       GLU  22  11.079  -8.757  11.070
  179   2HG   GLU  22          1HG       GLU  22  10.648  -7.164  11.688
  180    HA   PRO  23           HA       PRO  23   5.329 -11.073  13.238
  181   1HB   PRO  23          2HB       PRO  23   3.574  -9.117  11.823
  182   2HB   PRO  23          1HB       PRO  23   3.363  -9.835  13.424
  183   1HG   PRO  23          2HG       PRO  23   4.210  -7.340  13.202
  184   2HG   PRO  23          1HG       PRO  23   4.955  -8.425  14.394
  185   1HD   PRO  23          2HD       PRO  23   6.002  -7.497  11.760
  186   2HD   PRO  23          1HD       PRO  23   6.873  -7.829  13.273
  187    H    LYS  24           H        LYS  24   5.305  -9.538  10.139
  188    HA   LYS  24           HA       LYS  24   5.392 -11.696   8.461
  189   1HB   LYS  24          2HB       LYS  24   3.011 -12.065   9.449
  190   2HB   LYS  24          1HB       LYS  24   2.552 -10.658   8.497
  191   1HG   LYS  24          2HG       LYS  24   3.227 -11.792   6.458
  192   2HG   LYS  24          1HG       LYS  24   3.758 -13.192   7.393
  193   1HD   LYS  24          2HD       LYS  24   1.316 -13.164   8.292
  194   2HD   LYS  24          1HD       LYS  24   0.991 -12.208   6.845
  195   1HE   LYS  24          2HE       LYS  24   2.217 -14.967   6.923
  196   2HE   LYS  24          1HE       LYS  24   0.564 -14.584   6.453
  197   1HZ   LYS  24          1HZ       LYS  24   1.855 -14.910   4.497
  198   2HZ   LYS  24          2HZ       LYS  24   3.056 -13.828   5.012
  199   3HZ   LYS  24          3HZ       LYS  24   1.512 -13.255   4.601
  200    H    ARG  25           H        ARG  25   5.512 -10.849   6.255
  201    HA   ARG  25           HA       ARG  25   5.995  -8.040   6.186
  202   1HB   ARG  25          2HB       ARG  25   5.882 -10.116   4.006
  203   2HB   ARG  25          1HB       ARG  25   6.175  -8.416   3.668
  204   1HG   ARG  25          2HG       ARG  25   8.141  -8.505   5.176
  205   2HG   ARG  25          1HG       ARG  25   7.872 -10.240   5.355
  206   1HD   ARG  25          2HD       ARG  25   8.363  -8.825   2.735
  207   2HD   ARG  25          1HD       ARG  25   9.597  -9.679   3.661
  208    HE   ARG  25           HE       ARG  25   7.384 -11.385   3.154
  209   1HH1  ARG  25          1HH1      ARG  25  10.171  -9.935   1.569
  210   2HH1  ARG  25          2HH1      ARG  25  10.285 -11.193   0.369
  211   1HH2  ARG  25          1HH2      ARG  25   7.544 -13.020   1.596
  212   2HH2  ARG  25          2HH2      ARG  25   8.815 -12.971   0.412
  213    H    LYS  26           H        LYS  26   4.157  -6.938   6.745
  214    HA   LYS  26           HA       LYS  26   2.008  -6.961   4.735
  215   1HB   LYS  26          2HB       LYS  26   0.348  -6.630   6.538
  216   2HB   LYS  26          1HB       LYS  26   1.166  -8.180   6.665
  217   1HG   LYS  26          2HG       LYS  26   2.617  -7.263   8.413
  218   2HG   LYS  26          1HG       LYS  26   1.770  -5.724   8.291
  219   1HD   LYS  26          2HD       LYS  26   0.439  -8.333   9.000
  220   2HD   LYS  26          1HD       LYS  26   1.016  -7.165  10.187
  221   1HE   LYS  26          2HE       LYS  26  -0.991  -6.535   8.032
  222   2HE   LYS  26          1HE       LYS  26  -1.424  -7.014   9.671
  223   1HZ   LYS  26          1HZ       LYS  26  -1.442  -4.591   9.310
  224   2HZ   LYS  26          2HZ       LYS  26   0.227  -4.639   9.007
  225   3HZ   LYS  26          3HZ       LYS  26  -0.365  -5.067  10.536
  226    H    ILE  27           H        ILE  27   1.175  -4.975   4.206
  227    HA   ILE  27           HA       ILE  27   2.484  -2.678   5.508
  228    HB   ILE  27           HB       ILE  27   2.394  -1.503   3.322
  229   1HG1  ILE  27          2HG1      ILE  27   1.741  -4.243   2.204
  230   2HG1  ILE  27          1HG1      ILE  27   0.613  -2.891   2.287
  231   1HG2  ILE  27          1HG2      ILE  27   3.980  -4.063   3.397
  232   2HG2  ILE  27          2HG2      ILE  27   4.453  -2.510   4.088
  233   3HG2  ILE  27          3HG2      ILE  27   4.310  -2.692   2.338
  234   1HD1  ILE  27          1HD1      ILE  27   1.564  -3.169   0.056
  235   2HD1  ILE  27          2HD1      ILE  27   3.183  -2.934   0.716
  236   3HD1  ILE  27          3HD1      ILE  27   2.010  -1.616   0.765
  237    H    ALA  28           H        ALA  28   1.232  -1.058   6.175
  238    HA   ALA  28           HA       ALA  28  -1.551  -0.945   5.232
  239   1HB   ALA  28          1HB       ALA  28  -2.351  -0.530   7.487
  240   2HB   ALA  28          2HB       ALA  28  -0.706  -0.644   8.120
  241   3HB   ALA  28          3HB       ALA  28  -1.490  -2.072   7.436
  242    H    PHE  29           H        PHE  29  -1.239   0.857   3.972
  243    HA   PHE  29           HA       PHE  29   0.121   3.128   5.194
  244   1HB   PHE  29          2HB       PHE  29  -0.173   4.178   2.894
  245   2HB   PHE  29          1HB       PHE  29   0.927   2.815   3.019
  246    HD1  PHE  29           HD1      PHE  29  -2.393   3.899   1.796
  247    HD2  PHE  29           HD2      PHE  29   0.542   0.810   1.848
  248    HE1  PHE  29           HE1      PHE  29  -3.523   2.793  -0.082
  249    HE2  PHE  29           HE2      PHE  29  -0.595  -0.305  -0.023
  250    HZ   PHE  29           HZ       PHE  29  -2.626   0.688  -0.994
  251    H    THR  30           H        THR  30  -0.810   4.946   5.798
  252    HA   THR  30           HA       THR  30  -3.695   5.010   5.950
  253    HB   THR  30           HB       THR  30  -1.740   7.147   6.815
  254    HG1  THR  30           HG1      THR  30  -1.696   4.764   7.684
  255   1HG2  THR  30          1HG2      THR  30  -3.507   7.757   8.393
  256   2HG2  THR  30          2HG2      THR  30  -4.535   6.478   7.747
  257   3HG2  THR  30          3HG2      THR  30  -4.093   7.853   6.733
  258    H    LEU  31           H        LEU  31  -4.856   5.709   4.324
  259    HA   LEU  31           HA       LEU  31  -3.664   7.624   2.431
  260   1HB   LEU  31          2HB       LEU  31  -4.357   5.223   1.726
  261   2HB   LEU  31          1HB       LEU  31  -5.994   5.823   1.843
  262    HG   LEU  31           HG       LEU  31  -5.638   7.414   0.102
  263   1HD1  LEU  31          1HD1      LEU  31  -3.378   8.104   0.682
  264   2HD1  LEU  31          2HD1      LEU  31  -3.486   7.664  -1.023
  265   3HD1  LEU  31          3HD1      LEU  31  -2.753   6.549   0.131
  266   1HD2  LEU  31          1HD2      LEU  31  -6.099   5.109  -0.581
  267   2HD2  LEU  31          2HD2      LEU  31  -4.365   4.799  -0.663
  268   3HD2  LEU  31          3HD2      LEU  31  -5.105   5.959  -1.766
  269    H    ASN  32           H        ASN  32  -4.389   9.605   3.033
  270    HA   ASN  32           HA       ASN  32  -7.040   9.834   4.129
  271   1HB   ASN  32          2HB       ASN  32  -6.435  12.260   4.393
  272   2HB   ASN  32          1HB       ASN  32  -5.496  11.119   5.327
  273   1HD2  ASN  32          1HD2      ASN  32  -4.784  13.737   4.785
  274   2HD2  ASN  32          2HD2      ASN  32  -3.366  13.740   3.803
  275    H    VAL  33           H        VAL  33  -8.407   9.419   2.581
  276    HA   VAL  33           HA       VAL  33  -8.332  10.525  -0.046
  277    HB   VAL  33           HB       VAL  33 -10.547   9.130   1.471
  278   1HG1  VAL  33          1HG1      VAL  33 -10.344   9.773  -1.468
  279   2HG1  VAL  33          2HG1      VAL  33 -11.510  10.438  -0.322
  280   3HG1  VAL  33          3HG1      VAL  33 -11.560   8.724  -0.738
  281   1HG2  VAL  33          1HG2      VAL  33  -9.904   7.176   0.110
  282   2HG2  VAL  33          2HG2      VAL  33  -8.606   7.720   1.173
  283   3HG2  VAL  33          3HG2      VAL  33  -8.555   8.106  -0.548
  284    H    THR  34           H        THR  34  -9.485  12.248  -0.871
  285    HA   THR  34           HA       THR  34 -10.406  14.106   1.186
  286    HB   THR  34           HB       THR  34  -9.902  15.871  -0.292
  287    HG1  THR  34           HG1      THR  34  -9.128  15.155  -2.534
  288   1HG2  THR  34          1HG2      THR  34  -7.843  13.709  -0.701
  289   2HG2  THR  34          2HG2      THR  34  -7.936  14.808   0.675
  290   3HG2  THR  34          3HG2      THR  34  -7.582  15.437  -0.936
  291    H    SER  35           H        SER  35 -12.065  15.784   0.039
  292    HA   SER  35           HA       SER  35 -14.420  14.132  -0.315
  293   1HB   SER  35          2HB       SER  35 -14.147  17.136  -0.034
  294   2HB   SER  35          1HB       SER  35 -15.661  16.231   0.002
  295    HG   SER  35           HG       SER  35 -15.181  15.430   1.939
  296    H    GLU  36           H        GLU  36 -12.178  15.332  -2.375
  297    HA   GLU  36           HA       GLU  36 -13.575  16.599  -4.430
  298   1HB   GLU  36          2HB       GLU  36 -11.197  14.746  -4.659
  299   2HB   GLU  36          1HB       GLU  36 -11.752  15.842  -5.914
  300   1HG   GLU  36          2HG       GLU  36 -10.678  16.612  -3.215
  301   2HG   GLU  36          1HG       GLU  36  -9.852  16.777  -4.765
  302    H    THR  37           H        THR  37 -12.991  13.163  -3.893
  303    HA   THR  37           HA       THR  37 -15.263  12.502  -5.573
  304    HB   THR  37           HB       THR  37 -13.403  12.545  -7.164
  305    HG1  THR  37           HG1      THR  37 -14.339   9.932  -6.489
  306   1HG2  THR  37          1HG2      THR  37 -11.517  10.976  -6.955
  307   2HG2  THR  37          2HG2      THR  37 -12.089  10.530  -5.346
  308   3HG2  THR  37          3HG2      THR  37 -11.540  12.176  -5.662
  309    H    TYR  38           H        TYR  38 -15.101  12.418  -2.895
  310    HA   TYR  38           HA       TYR  38 -13.910  10.191  -1.690
  311   1HB   TYR  38          2HB       TYR  38 -14.434  12.052  -0.333
  312   2HB   TYR  38          1HB       TYR  38 -16.117  12.057  -0.847
  313    HD1  TYR  38           HD2      TYR  38 -13.627  10.126   1.128
  314    HD2  TYR  38           HD1      TYR  38 -17.743  10.892   0.369
  315    HE1  TYR  38           HE2      TYR  38 -14.236   8.783   3.097
  316    HE2  TYR  38           HE1      TYR  38 -18.362   9.553   2.334
  317    HH   TYR  38           HH       TYR  38 -16.114   8.565   4.669
  318    H    HIS  39           H        HIS  39 -17.153  10.585  -3.076
  319    HA   HIS  39           HA       HIS  39 -18.422   8.602  -1.571
  320   1HB   HIS  39          2HB       HIS  39 -19.559  10.329  -3.010
  321   2HB   HIS  39          1HB       HIS  39 -19.181   9.315  -4.401
  322    HD1  HIS  39           HD1      HIS  39 -20.509   7.093  -4.659
  323    HD2  HIS  39           HD2      HIS  39 -21.586   9.357  -1.337
  324    HE1  HIS  39           HE1      HIS  39 -22.636   6.073  -3.802
  325    HE2  HIS  39           HE2      HIS  39 -23.375   7.587  -1.935
  326    H    ASP  40           H        ASP  40 -17.005   8.277  -4.851
  327    HA   ASP  40           HA       ASP  40 -17.803   5.542  -5.005
  328   1HB   ASP  40          2HB       ASP  40 -16.610   5.480  -7.107
  329   2HB   ASP  40          1HB       ASP  40 -17.559   6.952  -7.013
  330    H    ILE  41           H        ILE  41 -14.893   7.212  -4.020
  331    HA   ILE  41           HA       ILE  41 -13.199   4.943  -3.941
  332    HB   ILE  41           HB       ILE  41 -13.028   7.417  -2.213
  333   1HG1  ILE  41          2HG1      ILE  41 -11.765   6.866  -4.906
  334   2HG1  ILE  41          1HG1      ILE  41 -13.118   7.955  -4.626
  335   1HG2  ILE  41          1HG2      ILE  41 -10.642   6.876  -2.090
  336   2HG2  ILE  41          2HG2      ILE  41 -10.926   5.419  -3.043
  337   3HG2  ILE  41          3HG2      ILE  41 -11.635   5.572  -1.436
  338   1HD1  ILE  41          1HD1      ILE  41 -10.965   9.120  -4.859
  339   2HD1  ILE  41          2HD1      ILE  41 -10.380   8.280  -3.423
  340   3HD1  ILE  41          3HD1      ILE  41 -11.733   9.404  -3.298
  341    H    ALA  42           H        ALA  42 -15.471   6.365  -1.670
  342    HA   ALA  42           HA       ALA  42 -14.861   4.705   0.541
  343   1HB   ALA  42          1HB       ALA  42 -17.472   6.057  -0.135
  344   2HB   ALA  42          2HB       ALA  42 -16.130   6.797   0.739
  345   3HB   ALA  42          3HB       ALA  42 -16.998   5.432   1.445
  346    H    VAL  43           H        VAL  43 -16.806   4.269  -2.315
  347    HA   VAL  43           HA       VAL  43 -18.169   1.927  -1.395
  348    HB   VAL  43           HB       VAL  43 -17.714   2.881  -4.233
  349   1HG1  VAL  43          1HG1      VAL  43 -19.674   0.873  -3.127
  350   2HG1  VAL  43          2HG1      VAL  43 -18.293   0.527  -4.168
  351   3HG1  VAL  43          3HG1      VAL  43 -19.649   1.471  -4.785
  352   1HG2  VAL  43          1HG2      VAL  43 -20.038   3.733  -4.054
  353   2HG2  VAL  43          2HG2      VAL  43 -18.905   4.557  -2.984
  354   3HG2  VAL  43          3HG2      VAL  43 -20.010   3.347  -2.333
  355    H    LEU  44           H        LEU  44 -15.152   2.604  -3.030
  356    HA   LEU  44           HA       LEU  44 -14.586  -0.110  -3.711
  357   1HB   LEU  44          2HB       LEU  44 -13.111   2.457  -3.771
  358   2HB   LEU  44          1HB       LEU  44 -12.140   1.000  -3.666
  359    HG   LEU  44           HG       LEU  44 -13.129   0.154  -5.731
  360   1HD1  LEU  44          1HD1      LEU  44 -14.663   2.744  -5.791
  361   2HD1  LEU  44          2HD1      LEU  44 -15.347   1.139  -5.536
  362   3HD1  LEU  44          3HD1      LEU  44 -14.604   1.546  -7.084
  363   1HD2  LEU  44          1HD2      LEU  44 -11.136   1.531  -5.887
  364   2HD2  LEU  44          2HD2      LEU  44 -12.130   2.985  -5.973
  365   3HD2  LEU  44          3HD2      LEU  44 -12.188   1.799  -7.277
  366    H    LEU  45           H        LEU  45 -14.371  -1.586  -2.258
  367    HA   LEU  45           HA       LEU  45 -13.028  -0.998   0.275
  368   1HB   LEU  45          2HB       LEU  45 -15.380  -1.454   0.646
  369   2HB   LEU  45          1HB       LEU  45 -15.293  -2.902  -0.337
  370    HG   LEU  45           HG       LEU  45 -13.851  -3.970   1.329
  371   1HD1  LEU  45          1HD1      LEU  45 -13.428  -2.917   3.473
  372   2HD1  LEU  45          2HD1      LEU  45 -14.261  -1.457   2.941
  373   3HD1  LEU  45          3HD1      LEU  45 -12.753  -1.944   2.166
  374   1HD2  LEU  45          1HD2      LEU  45 -16.265  -4.254   1.508
  375   2HD2  LEU  45          2HD2      LEU  45 -16.376  -2.793   2.489
  376   3HD2  LEU  45          3HD2      LEU  45 -15.521  -4.207   3.107
  377    H    TYR  46           H        TYR  46 -11.061  -1.572  -0.374
  378    HA   TYR  46           HA       TYR  46  -9.252  -2.993  -0.546
  379   1HB   TYR  46          2HB       TYR  46 -11.471  -4.959  -0.192
  380   2HB   TYR  46          1HB       TYR  46  -9.996  -5.552  -0.920
  381    HD1  TYR  46           HD1      TYR  46  -7.906  -5.462   0.337
  382    HD2  TYR  46           HD2      TYR  46 -11.637  -4.559   2.137
  383    HE1  TYR  46           HE1      TYR  46  -6.916  -5.854   2.561
  384    HE2  TYR  46           HE2      TYR  46 -10.670  -4.941   4.365
  385    HH   TYR  46           HH       TYR  46  -7.325  -5.250   4.896
  386    H    GLU  47           H        GLU  47  -8.972  -5.230  -2.150
  387    HA   GLU  47           HA       GLU  47 -10.423  -5.315  -4.512
  388   1HB   GLU  47          2HB       GLU  47  -8.350  -3.304  -4.477
  389   2HB   GLU  47          1HB       GLU  47  -7.998  -4.527  -5.690
  390   1HG   GLU  47          2HG       GLU  47 -10.561  -2.961  -5.465
  391   2HG   GLU  47          1HG       GLU  47  -9.262  -2.662  -6.623
  392    H    LYS  48           H        LYS  48  -8.166  -6.064  -6.207
  393    HA   LYS  48           HA       LYS  48  -7.702  -8.696  -5.037
  394   1HB   LYS  48          2HB       LYS  48  -6.971  -9.263  -7.388
  395   2HB   LYS  48          1HB       LYS  48  -8.645  -8.773  -7.209
  396   1HG   LYS  48          2HG       LYS  48  -7.988  -6.487  -7.950
  397   2HG   LYS  48          1HG       LYS  48  -6.376  -7.121  -8.292
  398   1HD   LYS  48          2HD       LYS  48  -7.789  -7.055 -10.306
  399   2HD   LYS  48          1HD       LYS  48  -7.308  -8.699  -9.887
  400   1HE   LYS  48          2HE       LYS  48  -9.635  -8.698 -10.505
  401   2HE   LYS  48          1HE       LYS  48  -9.496  -9.023  -8.780
  402   1HZ   LYS  48          1HZ       LYS  48 -11.215  -7.486  -8.948
  403   2HZ   LYS  48          2HZ       LYS  48 -10.424  -6.557 -10.118
  404   3HZ   LYS  48          3HZ       LYS  48  -9.888  -6.521  -8.512
  405    H    THR  49           H        THR  49  -5.328  -9.023  -6.943
  406    HA   THR  49           HA       THR  49  -3.376  -8.361  -4.941
  407    HB   THR  49           HB       THR  49  -1.762  -9.468  -6.505
  408    HG1  THR  49           HG1      THR  49  -3.566  -8.995  -8.311
  409   1HG2  THR  49          1HG2      THR  49  -4.257 -11.039  -5.850
  410   2HG2  THR  49          2HG2      THR  49  -2.904 -10.744  -4.760
  411   3HG2  THR  49          3HG2      THR  49  -2.671 -11.723  -6.207
  412    H    PHE  50           H        PHE  50  -1.652  -6.972  -5.099
  413    HA   PHE  50           HA       PHE  50  -1.594  -5.173  -7.435
  414   1HB   PHE  50          2HB       PHE  50  -1.225  -4.392  -4.533
  415   2HB   PHE  50          1HB       PHE  50  -0.965  -3.322  -5.906
  416    HD1  PHE  50           HD1      PHE  50  -3.446  -5.049  -3.862
  417    HD2  PHE  50           HD2      PHE  50  -2.823  -2.400  -7.133
  418    HE1  PHE  50           HE1      PHE  50  -5.815  -4.416  -3.786
  419    HE2  PHE  50           HE2      PHE  50  -5.196  -1.752  -7.063
  420    HZ   PHE  50           HZ       PHE  50  -6.698  -2.757  -5.388
  421    H    ASN  51           H        ASN  51   0.374  -4.951  -8.353
  422    HA   ASN  51           HA       ASN  51   2.605  -6.280  -7.071
  423   1HB   ASN  51          2HB       ASN  51   3.841  -5.561  -9.209
  424   2HB   ASN  51          1HB       ASN  51   2.572  -6.766  -9.360
  425   1HD2  ASN  51          1HD2      ASN  51   3.606  -3.580 -10.189
  426   2HD2  ASN  51          2HD2      ASN  51   2.305  -3.226 -11.270
  427    H    VAL  52           H        VAL  52   3.386  -5.221  -5.453
  428    HA   VAL  52           HA       VAL  52   3.582  -2.367  -5.317
  429    HB   VAL  52           HB       VAL  52   4.806  -4.473  -3.516
  430   1HG1  VAL  52          1HG1      VAL  52   4.821  -2.687  -1.826
  431   2HG1  VAL  52          2HG1      VAL  52   4.263  -1.546  -3.051
  432   3HG1  VAL  52          3HG1      VAL  52   5.844  -2.312  -3.214
  433   1HG2  VAL  52          1HG2      VAL  52   2.147  -3.064  -3.315
  434   2HG2  VAL  52          2HG2      VAL  52   2.857  -4.076  -2.058
  435   3HG2  VAL  52          3HG2      VAL  52   2.411  -4.782  -3.611
  436    H    GLU  53           H        GLU  53   5.118  -1.256  -6.327
  437    HA   GLU  53           HA       GLU  53   7.788  -2.471  -6.602
  438   1HB   GLU  53          2HB       GLU  53   6.317  -0.697  -8.557
  439   2HB   GLU  53          1HB       GLU  53   8.019  -1.109  -8.696
  440   1HG   GLU  53          2HG       GLU  53   7.485  -3.434  -8.987
  441   2HG   GLU  53          1HG       GLU  53   5.775  -3.111  -8.694
  442    H    VAL  54           H        VAL  54   9.190  -1.554  -5.465
  443    HA   VAL  54           HA       VAL  54   9.082   1.359  -5.153
  444    HB   VAL  54           HB       VAL  54   8.666   0.397  -3.000
  445   1HG1  VAL  54          1HG1      VAL  54  10.175  -1.172  -1.912
  446   2HG1  VAL  54          2HG1      VAL  54  11.152  -1.251  -3.378
  447   3HG1  VAL  54          3HG1      VAL  54   9.494  -1.855  -3.390
  448   1HG2  VAL  54          1HG2      VAL  54  10.110   2.309  -3.002
  449   2HG2  VAL  54          2HG2      VAL  54  11.519   1.278  -3.241
  450   3HG2  VAL  54          3HG2      VAL  54  10.608   1.191  -1.733
  451    HA   PRO  55           HA       PRO  55  12.730   0.833  -7.748
  452   1HB   PRO  55          2HB       PRO  55  12.770   3.777  -7.486
  453   2HB   PRO  55          1HB       PRO  55  12.742   2.776  -8.941
  454   1HG   PRO  55          2HG       PRO  55  10.587   4.150  -8.137
  455   2HG   PRO  55          1HG       PRO  55  10.446   2.561  -8.903
  456   1HD   PRO  55          2HD       PRO  55  10.202   3.308  -6.029
  457   2HD   PRO  55          1HD       PRO  55   9.291   2.106  -6.966
  458    H    GLU  56           H        GLU  56  12.465   2.619  -4.760
  459    HA   GLU  56           HA       GLU  56  15.142   3.362  -4.400
  460   1HB   GLU  56          2HB       GLU  56  13.232   4.189  -3.035
  461   2HB   GLU  56          1HB       GLU  56  13.137   2.614  -2.260
  462   1HG   GLU  56          2HG       GLU  56  15.785   3.359  -1.951
  463   2HG   GLU  56          1HG       GLU  56  14.884   4.854  -1.715
  464    H    ARG  57           H        ARG  57  13.422   0.383  -3.639
  465    HA   ARG  57           HA       ARG  57  15.967  -0.803  -2.739
  466   1HB   ARG  57          2HB       ARG  57  13.199  -1.480  -1.713
  467   2HB   ARG  57          1HB       ARG  57  14.724  -2.130  -1.122
  468   1HG   ARG  57          2HG       ARG  57  15.388   0.048  -0.315
  469   2HG   ARG  57          1HG       ARG  57  13.928   0.770  -0.989
  470   1HD   ARG  57          2HD       ARG  57  12.606  -0.745   0.511
  471   2HD   ARG  57          1HD       ARG  57  14.127  -1.203   1.276
  472    HE   ARG  57           HE       ARG  57  13.549   1.649   1.167
  473   1HH1  ARG  57          1HH1      ARG  57  13.471  -1.309   3.057
  474   2HH1  ARG  57          2HH1      ARG  57  13.318  -0.488   4.583
  475   1HH2  ARG  57          1HH2      ARG  57  13.353   2.728   3.185
  476   2HH2  ARG  57          2HH2      ARG  57  13.287   1.800   4.651
  477    H    ASP  58           H        ASP  58  14.379  -0.704  -5.324
  478    HA   ASP  58           HA       ASP  58  13.629  -2.028  -7.012
  479   1HB   ASP  58          2HB       ASP  58  15.271  -3.615  -7.798
  480   2HB   ASP  58          1HB       ASP  58  16.087  -2.202  -7.150
  481    H    LEU  59           H        LEU  59  12.169  -2.584  -4.709
  482    HA   LEU  59           HA       LEU  59  11.968  -5.494  -4.557
  483   1HB   LEU  59          2HB       LEU  59  11.745  -3.597  -2.631
  484   2HB   LEU  59          1HB       LEU  59  10.061  -3.782  -3.074
  485    HG   LEU  59           HG       LEU  59  11.866  -6.000  -2.102
  486   1HD1  LEU  59          1HD1      LEU  59  10.433  -5.946  -0.107
  487   2HD1  LEU  59          2HD1      LEU  59   9.617  -4.523  -0.750
  488   3HD1  LEU  59          3HD1      LEU  59  11.328  -4.443  -0.334
  489   1HD2  LEU  59          1HD2      LEU  59  10.196  -6.859  -3.636
  490   2HD2  LEU  59          2HD2      LEU  59   8.924  -6.006  -2.765
  491   3HD2  LEU  59          3HD2      LEU  59   9.796  -7.325  -1.983
  492    H    ALA  60           H        ALA  60  10.761  -6.444  -6.047
  493    HA   ALA  60           HA       ALA  60   8.247  -5.153  -6.861
  494   1HB   ALA  60          1HB       ALA  60   9.858  -7.227  -8.351
  495   2HB   ALA  60          2HB       ALA  60   9.789  -5.504  -8.731
  496   3HB   ALA  60          3HB       ALA  60   8.346  -6.501  -8.896
  497    H    PHE  61           H        PHE  61   6.779  -5.934  -5.456
  498    HA   PHE  61           HA       PHE  61   6.544  -8.856  -5.218
  499   1HB   PHE  61          2HB       PHE  61   7.712  -8.026  -3.233
  500   2HB   PHE  61          1HB       PHE  61   6.417  -6.880  -2.944
  501    HD1  PHE  61           HD2      PHE  61   7.269 -10.466  -2.995
  502    HD2  PHE  61           HD1      PHE  61   4.472  -7.499  -1.770
  503    HE1  PHE  61           HE2      PHE  61   6.135 -12.123  -1.578
  504    HE2  PHE  61           HE1      PHE  61   3.332  -9.153  -0.347
  505    HZ   PHE  61           HZ       PHE  61   4.163 -11.471  -0.252
  506    H    ARG  62           H        ARG  62   4.582  -9.492  -5.671
  507    HA   ARG  62           HA       ARG  62   2.437  -7.503  -5.733
  508   1HB   ARG  62          2HB       ARG  62   2.771  -8.736  -7.824
  509   2HB   ARG  62          1HB       ARG  62   2.525 -10.262  -6.980
  510   1HG   ARG  62          2HG       ARG  62   0.241  -9.778  -6.579
  511   2HG   ARG  62          1HG       ARG  62   0.440  -8.099  -7.079
  512   1HD   ARG  62          2HD       ARG  62  -0.690  -9.434  -8.792
  513   2HD   ARG  62          1HD       ARG  62   0.852  -8.807  -9.364
  514    HE   ARG  62           HE       ARG  62   1.768 -11.014  -9.170
  515   1HH1  ARG  62          1HH1      ARG  62  -1.715 -10.835  -8.742
  516   2HH1  ARG  62          2HH1      ARG  62  -1.962 -12.508  -9.129
  517   1HH2  ARG  62          1HH2      ARG  62   1.419 -13.209  -9.691
  518   2HH2  ARG  62          2HH2      ARG  62  -0.198 -13.854  -9.660
  519    H    GLY  63           H        GLY  63   1.669  -7.353  -3.733
  520   1HA   GLY  63          2HA       GLY  63   1.223  -9.696  -2.090
  521   2HA   GLY  63          1HA       GLY  63   0.899  -8.024  -1.645
  522    H    GLU  64           H        GLU  64  -0.984  -9.644  -0.853
  523    HA   GLU  64           HA       GLU  64  -3.103  -9.397  -2.874
  524   1HB   GLU  64          2HB       GLU  64  -4.090 -11.484  -1.989
  525   2HB   GLU  64          1HB       GLU  64  -2.509 -11.732  -2.710
  526   1HG   GLU  64          2HG       GLU  64  -2.239 -12.979  -0.841
  527   2HG   GLU  64          1HG       GLU  64  -1.729 -11.423  -0.196
  528    H    MET  65           H        MET  65  -5.262  -9.202  -2.005
  529    HA   MET  65           HA       MET  65  -5.297  -8.103   0.714
  530   1HB   MET  65          2HB       MET  65  -7.055  -7.602  -1.678
  531   2HB   MET  65          1HB       MET  65  -7.513  -7.108  -0.054
  532   1HG   MET  65          2HG       MET  65  -5.491  -5.735   0.086
  533   2HG   MET  65          1HG       MET  65  -5.068  -6.213  -1.559
  534   1HE   MET  65          1HE       MET  65  -6.371  -2.390  -1.566
  535   2HE   MET  65          2HE       MET  65  -4.939  -3.393  -1.798
  536   3HE   MET  65          3HE       MET  65  -5.636  -3.205  -0.187
  537    H    THR  66           H        THR  66  -5.508 -10.079   1.771
  538    HA   THR  66           HA       THR  66  -7.502 -11.979   1.155
  539    HB   THR  66           HB       THR  66  -5.619 -12.741   2.374
  540    HG1  THR  66           HG1      THR  66  -8.090 -12.838   3.614
  541   1HG2  THR  66          1HG2      THR  66  -5.039 -11.902   4.615
  542   2HG2  THR  66          2HG2      THR  66  -6.306 -10.684   4.475
  543   3HG2  THR  66          3HG2      THR  66  -4.921 -10.648   3.379
  544    H    ASN  67           H        ASN  67  -7.846  -8.937   2.365
  545    HA   ASN  67           HA       ASN  67  -9.602  -7.762   3.143
  546   1HB   ASN  67          2HB       ASN  67 -11.124 -10.327   2.665
  547   2HB   ASN  67          1HB       ASN  67 -11.879  -8.818   3.160
  548   1HD2  ASN  67          1HD2      ASN  67 -10.405 -10.569   0.581
  549   2HD2  ASN  67          2HD2      ASN  67 -10.770  -9.442  -0.682
  550    H    TYR  68           H        TYR  68  -9.024  -7.271   5.195
  551    HA   TYR  68           HA       TYR  68  -9.593  -9.241   7.289
  552   1HB   TYR  68          2HB       TYR  68  -7.353  -8.163   7.272
  553   2HB   TYR  68          1HB       TYR  68  -8.130  -6.601   7.512
  554    HD1  TYR  68           HD2      TYR  68  -7.367  -9.847   9.073
  555    HD2  TYR  68           HD1      TYR  68  -8.967  -5.948   9.677
  556    HE1  TYR  68           HE2      TYR  68  -7.336 -10.215  11.503
  557    HE2  TYR  68           HE1      TYR  68  -8.938  -6.310  12.107
  558    HH   TYR  68           HH       TYR  68  -9.015  -8.347  13.656
  559    H    SER  69           H        SER  69 -10.249  -5.834   6.484
  560    HA   SER  69           HA       SER  69 -12.596  -5.983   8.251
  561   1HB   SER  69          2HB       SER  69 -10.816  -4.638   9.303
  562   2HB   SER  69          1HB       SER  69 -10.759  -3.601   7.880
  563    HG   SER  69           HG       SER  69 -12.731  -3.807   9.875
  564    H    THR  70           H        THR  70 -14.077  -3.986   7.739
  565    HA   THR  70           HA       THR  70 -14.410  -3.910   4.816
  566    HB   THR  70           HB       THR  70 -16.861  -3.461   5.403
  567    HG1  THR  70           HG1      THR  70 -17.131  -3.175   7.499
  568   1HG2  THR  70          1HG2      THR  70 -15.699  -6.145   6.168
  569   2HG2  THR  70          2HG2      THR  70 -16.058  -5.620   4.524
  570   3HG2  THR  70          3HG2      THR  70 -17.367  -5.834   5.686
  571    H    SER  71           H        SER  71 -12.941  -2.044   6.712
  572    HA   SER  71           HA       SER  71 -14.438   0.406   6.055
  573   1HB   SER  71          2HB       SER  71 -14.207  -0.024   8.489
  574   2HB   SER  71          1HB       SER  71 -12.453  -0.008   8.307
  575    HG   SER  71           HG       SER  71 -12.712   2.171   7.475
  576    H    LEU  72           H        LEU  72 -12.388  -1.119   4.436
  577    HA   LEU  72           HA       LEU  72 -10.202   0.818   4.432
  578   1HB   LEU  72          2HB       LEU  72 -10.435  -1.927   3.237
  579   2HB   LEU  72          1HB       LEU  72  -9.127  -0.834   2.826
  580    HG   LEU  72           HG       LEU  72  -8.714  -0.717   5.380
  581   1HD1  LEU  72          1HD1      LEU  72 -10.764  -1.834   6.056
  582   2HD1  LEU  72          2HD1      LEU  72  -9.338  -2.711   6.611
  583   3HD1  LEU  72          3HD1      LEU  72 -10.250  -3.300   5.221
  584   1HD2  LEU  72          1HD2      LEU  72  -7.259  -2.674   5.264
  585   2HD2  LEU  72          2HD2      LEU  72  -7.175  -1.708   3.791
  586   3HD2  LEU  72          3HD2      LEU  72  -8.097  -3.212   3.810
  587    H    THR  73           H        THR  73 -11.292   2.484   3.493
  588    HA   THR  73           HA       THR  73 -12.379   2.520   0.892
  589    HB   THR  73           HB       THR  73 -11.312   4.523   2.841
  590    HG1  THR  73           HG1      THR  73 -13.802   3.797   1.759
  591   1HG2  THR  73          1HG2      THR  73 -12.245   5.263   0.072
  592   2HG2  THR  73          2HG2      THR  73 -10.602   5.428   0.700
  593   3HG2  THR  73          3HG2      THR  73 -11.909   6.381   1.402
  594    H    ASN  74           H        ASN  74 -11.333   2.228  -1.009
  595    HA   ASN  74           HA       ASN  74  -8.377   2.306  -0.929
  596   1HB   ASN  74          2HB       ASN  74  -9.363   0.025  -0.761
  597   2HB   ASN  74          1HB       ASN  74 -10.127   0.269  -2.325
  598   1HD2  ASN  74          1HD2      ASN  74  -9.059  -1.460  -3.253
  599   2HD2  ASN  74          2HD2      ASN  74  -7.368  -1.418  -3.619
  600    H    LEU  75           H        LEU  75  -7.249   2.693  -2.830
  601    HA   LEU  75           HA       LEU  75  -6.751   3.303  -4.955
  602   1HB   LEU  75          2HB       LEU  75  -9.475   2.328  -5.260
  603   2HB   LEU  75          1HB       LEU  75  -9.084   3.599  -6.401
  604    HG   LEU  75           HG       LEU  75  -8.678   1.410  -7.374
  605   1HD1  LEU  75          1HD1      LEU  75  -6.351   1.728  -8.073
  606   2HD1  LEU  75          2HD1      LEU  75  -6.135   2.909  -6.782
  607   3HD1  LEU  75          3HD1      LEU  75  -7.263   3.238  -8.095
  608   1HD2  LEU  75          1HD2      LEU  75  -8.231   0.161  -5.333
  609   2HD2  LEU  75          2HD2      LEU  75  -6.706   1.020  -5.130
  610   3HD2  LEU  75          3HD2      LEU  75  -6.933  -0.059  -6.505
  611    H    TYR  76           H        TYR  76  -6.902   5.081  -6.458
  612    HA   TYR  76           HA       TYR  76  -7.236   7.183  -7.165
  613   1HB   TYR  76          2HB       TYR  76  -9.557   7.151  -5.242
  614   2HB   TYR  76          1HB       TYR  76  -9.194   8.490  -6.324
  615    HD1  TYR  76           HD2      TYR  76  -9.207   8.038  -8.835
  616    HD2  TYR  76           HD1      TYR  76 -10.804   5.303  -5.989
  617    HE1  TYR  76           HE2      TYR  76 -10.514   6.955 -10.614
  618    HE2  TYR  76           HE1      TYR  76 -12.113   4.217  -7.763
  619    HH   TYR  76           HH       TYR  76 -11.576   4.805 -11.076
  620    H    GLU  77           H        GLU  77  -5.611   8.409  -6.699
  621    HA   GLU  77           HA       GLU  77  -5.119   9.366  -3.992
  622   1HB   GLU  77          2HB       GLU  77  -3.336   8.591  -5.719
  623   2HB   GLU  77          1HB       GLU  77  -3.583  10.159  -6.465
  624   1HG   GLU  77          2HG       GLU  77  -2.835   9.862  -3.577
  625   2HG   GLU  77          1HG       GLU  77  -1.634   9.920  -4.863
  626    HA   PRO  78           HA       PRO  78  -7.546  12.914  -5.408
  627   1HB   PRO  78          2HB       PRO  78  -9.137  13.038  -3.256
  628   2HB   PRO  78          1HB       PRO  78  -9.298  11.753  -4.457
  629   1HG   PRO  78          2HG       PRO  78  -8.302  11.608  -1.698
  630   2HG   PRO  78          1HG       PRO  78  -8.858  10.304  -2.759
  631   1HD   PRO  78          2HD       PRO  78  -6.131  11.197  -2.216
  632   2HD   PRO  78          1HD       PRO  78  -6.683   9.730  -3.054
  633    H    GLY  79           H        GLY  79  -5.084  12.894  -3.206
  634   1HA   GLY  79          2HA       GLY  79  -4.123  15.137  -2.721
  635   2HA   GLY  79          1HA       GLY  79  -5.740  15.608  -2.218
  636    H    ALA  80           H        ALA  80  -5.649  15.931  -0.064
  637    HA   ALA  80           HA       ALA  80  -4.844  13.679   1.609
  638   1HB   ALA  80          1HB       ALA  80  -3.364  15.056   2.989
  639   2HB   ALA  80          2HB       ALA  80  -3.600  16.412   1.886
  640   3HB   ALA  80          3HB       ALA  80  -2.788  14.952   1.325
  641    H    VAL  81           H        VAL  81  -6.912  13.445   2.487
  642    HA   VAL  81           HA       VAL  81  -7.637  15.549   4.382
  643    HB   VAL  81           HB       VAL  81  -9.619  14.394   2.436
  644   1HG1  VAL  81          1HG1      VAL  81 -10.149  16.099   4.873
  645   2HG1  VAL  81          2HG1      VAL  81 -10.560  14.391   4.709
  646   3HG1  VAL  81          3HG1      VAL  81 -11.346  15.591   3.679
  647   1HG2  VAL  81          1HG2      VAL  81  -8.314  16.334   1.693
  648   2HG2  VAL  81          2HG2      VAL  81  -8.855  17.223   3.117
  649   3HG2  VAL  81          3HG2      VAL  81 -10.024  16.723   1.893
  650    H    SER  82           H        SER  82  -9.520  12.687   3.493
  651    HA   SER  82           HA       SER  82  -9.905  12.167   6.289
  652   1HB   SER  82          2HB       SER  82 -11.112  11.145   3.746
  653   2HB   SER  82          1HB       SER  82 -11.409  10.276   5.248
  654    HG   SER  82           HG       SER  82 -12.248  12.228   6.116
  655    H    GLU  83           H        GLU  83  -8.294  11.113   7.305
  656    HA   GLU  83           HA       GLU  83  -6.486   9.352   6.114
  657   1HB   GLU  83          2HB       GLU  83  -7.261   9.653   9.013
  658   2HB   GLU  83          1HB       GLU  83  -5.923   8.660   8.456
  659   1HG   GLU  83          2HG       GLU  83  -4.937  10.700   7.420
  660   2HG   GLU  83          1HG       GLU  83  -6.211  11.639   8.195
  661    H    PHE  84           H        PHE  84  -7.328   7.716   4.981
  662    HA   PHE  84           HA       PHE  84  -8.862   5.671   6.409
  663   1HB   PHE  84          2HB       PHE  84  -8.393   6.283   3.513
  664   2HB   PHE  84          1HB       PHE  84  -8.918   4.675   4.006
  665    HD1  PHE  84           HD2      PHE  84 -11.003   4.594   5.560
  666    HD2  PHE  84           HD1      PHE  84  -9.965   7.933   3.138
  667    HE1  PHE  84           HE2      PHE  84 -13.322   5.405   5.693
  668    HE2  PHE  84           HE1      PHE  84 -12.281   8.752   3.269
  669    HZ   PHE  84           HZ       PHE  84 -13.962   7.486   4.547
  670    H    TYR  85           H        TYR  85  -8.073   3.372   5.214
  671    HA   TYR  85           HA       TYR  85  -5.198   3.271   5.211
  672   1HB   TYR  85          2HB       TYR  85  -4.972   1.654   6.999
  673   2HB   TYR  85          1HB       TYR  85  -5.710   3.135   7.605
  674    HD1  TYR  85           HD2      TYR  85  -8.331   3.139   7.577
  675    HD2  TYR  85           HD1      TYR  85  -5.920  -0.353   7.560
  676    HE1  TYR  85           HE2      TYR  85 -10.213   1.850   8.436
  677    HE2  TYR  85           HE1      TYR  85  -7.792  -1.664   8.421
  678    HH   TYR  85           HH       TYR  85  -9.884  -1.334   9.661
  679    H    ILE  86           H        ILE  86  -4.447   1.795   3.897
  680    HA   ILE  86           HA       ILE  86  -6.242  -0.400   3.004
  681    HB   ILE  86           HB       ILE  86  -4.097   1.059   1.436
  682   1HG1  ILE  86          2HG1      ILE  86  -6.074   2.417   1.627
  683   2HG1  ILE  86          1HG1      ILE  86  -6.044   1.719   0.008
  684   1HG2  ILE  86          1HG2      ILE  86  -4.814  -0.317  -0.448
  685   2HG2  ILE  86          2HG2      ILE  86  -5.934  -1.180   0.604
  686   3HG2  ILE  86          3HG2      ILE  86  -4.197  -1.312   0.871
  687   1HD1  ILE  86          1HD1      ILE  86  -8.270   1.630   0.932
  688   2HD1  ILE  86          2HD1      ILE  86  -7.676   0.743   2.334
  689   3HD1  ILE  86          3HD1      ILE  86  -7.625   0.001   0.734
  690    H    GLU  87           H        GLU  87  -5.500  -2.288   3.738
  691    HA   GLU  87           HA       GLU  87  -2.635  -2.506   4.327
  692   1HB   GLU  87          2HB       GLU  87  -4.042  -2.587   6.342
  693   2HB   GLU  87          1HB       GLU  87  -4.931  -3.943   5.664
  694   1HG   GLU  87          2HG       GLU  87  -2.959  -5.325   5.727
  695   2HG   GLU  87          1HG       GLU  87  -1.985  -3.965   6.280
  696    H    ILE  88           H        ILE  88  -1.576  -3.757   3.025
  697    HA   ILE  88           HA       ILE  88  -2.941  -6.065   1.813
  698    HB   ILE  88           HB       ILE  88  -0.471  -4.568   0.918
  699   1HG1  ILE  88          2HG1      ILE  88  -1.878  -4.467  -1.241
  700   2HG1  ILE  88          1HG1      ILE  88  -3.236  -4.920  -0.219
  701   1HG2  ILE  88          1HG2      ILE  88  -1.601  -7.140  -0.162
  702   2HG2  ILE  88          2HG2      ILE  88  -0.034  -6.909   0.611
  703   3HG2  ILE  88          3HG2      ILE  88  -0.359  -6.170  -0.956
  704   1HD1  ILE  88          1HD1      ILE  88  -3.139  -2.523  -0.571
  705   2HD1  ILE  88          2HD1      ILE  88  -1.520  -2.478   0.129
  706   3HD1  ILE  88          3HD1      ILE  88  -2.902  -2.933   1.127
  707    H    THR  89           H        THR  89  -2.334  -8.030   2.420
  708    HA   THR  89           HA       THR  89  -0.119  -8.238   4.322
  709    HB   THR  89           HB       THR  89  -2.237 -10.302   3.649
  710    HG1  THR  89           HG1      THR  89  -2.804  -8.124   4.703
  711   1HG2  THR  89          1HG2      THR  89  -0.372 -10.063   6.016
  712   2HG2  THR  89          2HG2      THR  89  -0.187 -11.203   4.685
  713   3HG2  THR  89          3HG2      THR  89  -1.576 -11.328   5.763
  714    H    GLU  90           H        GLU  90   1.547  -9.731   4.002
  715    HA   GLU  90           HA       GLU  90   2.615 -10.228   1.543
  716   1HB   GLU  90          2HB       GLU  90   3.821 -10.595   3.616
  717   2HB   GLU  90          1HB       GLU  90   2.759 -11.931   4.030
  718   1HG   GLU  90          2HG       GLU  90   3.593 -13.141   2.037
  719   2HG   GLU  90          1HG       GLU  90   4.747 -11.829   1.781
  720    H    ILE  91           H        ILE  91   1.933 -11.356  -0.151
  721    HA   ILE  91           HA       ILE  91  -0.320 -12.999  -0.153
  722    HB   ILE  91           HB       ILE  91   0.434 -11.984  -2.208
  723   1HG1  ILE  91          2HG1      ILE  91   0.533 -15.005  -2.240
  724   2HG1  ILE  91          1HG1      ILE  91  -0.885 -13.985  -2.449
  725   1HG2  ILE  91          1HG2      ILE  91   2.829 -11.998  -1.861
  726   2HG2  ILE  91          2HG2      ILE  91   2.442 -12.788  -3.390
  727   3HG2  ILE  91          3HG2      ILE  91   2.860 -13.757  -1.977
  728   1HD1  ILE  91          1HD1      ILE  91   0.018 -13.160  -4.556
  729   2HD1  ILE  91          2HD1      ILE  91  -0.156 -14.916  -4.557
  730   3HD1  ILE  91          3HD1      ILE  91   1.436 -14.188  -4.345
  731    H    ASP  92           H        ASP  92  -0.636 -15.015   0.414
  732    HA   ASP  92           HA       ASP  92   1.705 -16.706   0.916
  733   1HB   ASP  92          2HB       ASP  92  -1.107 -16.859   2.022
  734   2HB   ASP  92          1HB       ASP  92   0.115 -18.093   2.293
  735    H    LYS  93           H        LYS  93   0.700 -19.160   0.877
  736    HA   LYS  93           HA       LYS  93   0.374 -19.636  -1.931
  737   1HB   LYS  93          2HB       LYS  93   1.787 -20.990  -0.317
  738   2HB   LYS  93          1HB       LYS  93   0.285 -21.634   0.324
  739   1HG   LYS  93          2HG       LYS  93  -0.212 -22.736  -1.718
  740   2HG   LYS  93          1HG       LYS  93   1.100 -21.902  -2.557
  741   1HD   LYS  93          2HD       LYS  93   2.738 -23.028  -1.166
  742   2HD   LYS  93          1HD       LYS  93   1.451 -23.817  -0.255
  743   1HE   LYS  93          2HE       LYS  93   0.773 -25.069  -2.189
  744   2HE   LYS  93          1HE       LYS  93   1.895 -24.172  -3.214
  745   1HZ   LYS  93          1HZ       LYS  93   3.735 -25.160  -2.130
  746   2HZ   LYS  93          2HZ       LYS  93   2.675 -26.422  -2.512
  747   3HZ   LYS  93          3HZ       LYS  93   2.769 -25.846  -0.920
  748    H    ASN  94           H        ASN  94  -1.720 -18.466  -0.052
  749    HA   ASN  94           HA       ASN  94  -3.967 -20.247  -0.220
  750   1HB   ASN  94          2HB       ASN  94  -3.735 -18.626   1.629
  751   2HB   ASN  94          1HB       ASN  94  -3.852 -17.302   0.474
  752   1HD2  ASN  94          1HD2      ASN  94  -5.684 -16.415   1.333
  753   2HD2  ASN  94          2HD2      ASN  94  -7.239 -17.187   1.249
  754    H    ALA  95           H        ALA  95  -2.835 -17.378  -1.936
  755    HA   ALA  95           HA       ALA  95  -5.178 -17.213  -3.596
  756   1HB   ALA  95          1HB       ALA  95  -3.918 -15.199  -2.994
  757   2HB   ALA  95          2HB       ALA  95  -4.003 -15.407  -4.742
  758   3HB   ALA  95          3HB       ALA  95  -2.519 -15.808  -3.878
  759    H    ASP  96           H        ASP  96  -1.823 -17.358  -4.733
  760    HA   ASP  96           HA       ASP  96  -2.457 -19.756  -6.296
  761   1HB   ASP  96          2HB       ASP  96  -1.192 -17.238  -7.399
  762   2HB   ASP  96          1HB       ASP  96  -1.114 -18.792  -8.210
  763    H    SER  97           H        SER  97  -0.376 -20.684  -7.221
  764    HA   SER  97           HA       SER  97   1.986 -19.957  -5.676
  765   1HB   SER  97          2HB       SER  97   0.893 -21.792  -4.418
  766   2HB   SER  97          1HB       SER  97   0.960 -22.800  -5.864
  767    HG   SER  97           HG       SER  97   3.317 -22.387  -5.762
  768    H    LEU  98           H        LEU  98   0.906 -19.903  -8.486
  769    HA   LEU  98           HA       LEU  98   2.906 -21.559  -9.827
  770   1HB   LEU  98          2HB       LEU  98   0.557 -21.716 -10.594
  771   2HB   LEU  98          1HB       LEU  98   0.596 -20.013 -11.005
  772    HG   LEU  98           HG       LEU  98   2.277 -20.429 -12.721
  773   1HD1  LEU  98          1HD1      LEU  98   3.457 -22.279 -11.660
  774   2HD1  LEU  98          2HD1      LEU  98   2.947 -22.712 -13.289
  775   3HD1  LEU  98          3HD1      LEU  98   2.058 -23.326 -11.897
  776   1HD2  LEU  98          1HD2      LEU  98  -0.066 -20.603 -13.345
  777   2HD2  LEU  98          2HD2      LEU  98  -0.075 -22.309 -12.896
  778   3HD2  LEU  98          3HD2      LEU  98   0.904 -21.760 -14.255
  779    H    GLU  99           H        GLU  99   4.775 -20.472  -9.663
  780    HA   GLU  99           HA       GLU  99   4.974 -17.639  -9.875
  781   1HB   GLU  99          2HB       GLU  99   6.993 -19.858  -9.797
  782   2HB   GLU  99          1HB       GLU  99   7.481 -18.198 -10.095
  783   1HG   GLU  99          2HG       GLU  99   6.261 -17.630  -7.931
  784   2HG   GLU  99          1HG       GLU  99   6.252 -19.369  -7.630
  785    H    HIS 100           H        HIS 100   4.429 -16.740 -11.769
  786    HA   HIS 100           HA       HIS 100   5.696 -17.712 -14.214
  787   1HB   HIS 100          2HB       HIS 100   3.647 -15.558 -13.677
  788   2HB   HIS 100          1HB       HIS 100   4.433 -15.732 -15.242
  789    HD1  HIS 100           HD1      HIS 100   4.280 -18.592 -15.900
  790    HD2  HIS 100           HD2      HIS 100   1.199 -16.668 -13.871
  791    HE1  HIS 100           HE1      HIS 100   2.225 -19.979 -16.313
  792    HE2  HIS 100           HE2      HIS 100   0.343 -18.696 -15.244
  793    H    HIS 101           H        HIS 101   7.561 -16.995 -12.441
  794    HA   HIS 101           HA       HIS 101   8.231 -14.253 -12.408
  795   1HB   HIS 101          2HB       HIS 101  10.544 -15.116 -11.696
  796   2HB   HIS 101          1HB       HIS 101   9.179 -15.460 -10.648
  797    HD1  HIS 101           HD1      HIS 101   9.481 -17.691  -9.648
  798    HD2  HIS 101           HD2      HIS 101  10.766 -17.609 -13.611
  799    HE1  HIS 101           HE1      HIS 101  10.248 -20.028 -10.169
  800    HE2  HIS 101           HE2      HIS 101  11.182 -19.915 -12.507
  801    H    HIS 102           H        HIS 102   8.348 -13.296 -14.341
  802    HA   HIS 102           HA       HIS 102  10.512 -14.193 -16.127
  803   1HB   HIS 102          2HB       HIS 102   7.915 -12.852 -16.922
  804   2HB   HIS 102          1HB       HIS 102   9.238 -13.222 -18.016
  805    HD1  HIS 102           HD1      HIS 102   6.073 -14.444 -17.114
  806    HD2  HIS 102           HD2      HIS 102   9.750 -16.241 -17.863
  807    HE1  HIS 102           HE1      HIS 102   5.556 -16.837 -17.680
  808    HE2  HIS 102           HE2      HIS 102   7.762 -17.819 -18.387
  809    H    HIS 103           H        HIS 103  12.146 -12.794 -15.753
  810    HA   HIS 103           HA       HIS 103  11.475  -9.975 -16.172
  811   1HB   HIS 103          2HB       HIS 103  13.019  -9.209 -14.465
  812   2HB   HIS 103          1HB       HIS 103  11.818 -10.264 -13.744
  813    HD1  HIS 103           HD1      HIS 103  15.374  -9.664 -13.854
  814    HD2  HIS 103           HD2      HIS 103  12.930 -12.982 -13.254
  815    HE1  HIS 103           HE1      HIS 103  16.826 -11.387 -12.733
  816    HE2  HIS 103           HE2      HIS 103  15.293 -13.332 -12.255
  817    H    HIS 104           H        HIS 104  12.432  -9.298 -17.911
  818    HA   HIS 104           HA       HIS 104  14.789 -10.632 -18.950
  819   1HB   HIS 104          2HB       HIS 104  12.856  -9.899 -20.397
  820   2HB   HIS 104          1HB       HIS 104  13.312  -8.233 -20.071
  821    HD1  HIS 104           HD1      HIS 104  14.990  -7.215 -21.605
  822    HD2  HIS 104           HD2      HIS 104  14.924 -11.371 -21.863
  823    HE1  HIS 104           HE1      HIS 104  16.487  -7.801 -23.541
  824    HE2  HIS 104           HE2      HIS 104  16.439 -10.318 -23.682
  825    H    HIS 105           H        HIS 105  14.480  -8.699 -16.539
  826    HA   HIS 105           HA       HIS 105  16.972  -7.260 -17.030
  827   1HB   HIS 105          2HB       HIS 105  15.085  -5.665 -17.350
  828   2HB   HIS 105          1HB       HIS 105  14.525  -6.036 -15.723
  829    HD1  HIS 105           HD1      HIS 105  15.630  -4.828 -13.801
  830    HD2  HIS 105           HD2      HIS 105  17.544  -4.201 -17.441
  831    HE1  HIS 105           HE1      HIS 105  17.287  -2.980 -13.388
  832    HE2  HIS 105           HE2      HIS 105  18.568  -2.760 -15.551
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   7.422   8.122   7.144
    2   2H    MET   1          2H        MET   1   6.089   7.767   6.171
    3   3H    MET   1          3H        MET   1   7.442   8.534   5.504
    4    HA   MET   1           HA       MET   1   8.788   6.585   5.953
    5   1HB   MET   1          2HB       MET   1   6.144   5.476   6.904
    6   2HB   MET   1          1HB       MET   1   7.524   4.463   6.500
    7   1HG   MET   1          2HG       MET   1   8.845   5.612   8.226
    8   2HG   MET   1          1HG       MET   1   7.431   6.573   8.648
    9   1HE   MET   1          1HE       MET   1   5.016   3.974  10.212
   10   2HE   MET   1          2HE       MET   1   5.020   4.648   8.583
   11   3HE   MET   1          3HE       MET   1   5.358   5.687   9.968
   12    H    VAL   2           H        VAL   2   9.299   5.754   4.071
   13    HA   VAL   2           HA       VAL   2   9.242   5.077   1.918
   14    HB   VAL   2           HB       VAL   2   6.297   4.598   2.422
   15   1HG1  VAL   2          1HG1      VAL   2   7.993   3.691   0.094
   16   2HG1  VAL   2          2HG1      VAL   2   6.735   4.925   0.026
   17   3HG1  VAL   2          3HG1      VAL   2   6.311   3.252   0.390
   18   1HG2  VAL   2          1HG2      VAL   2   8.683   2.755   2.381
   19   2HG2  VAL   2          2HG2      VAL   2   7.004   2.227   2.505
   20   3HG2  VAL   2          3HG2      VAL   2   7.719   3.207   3.787
   21    H    LYS   3           H        LYS   3   9.234   6.129   0.003
   22    HA   LYS   3           HA       LYS   3   7.584   8.568  -0.137
   23   1HB   LYS   3          2HB       LYS   3   9.820   9.271   0.310
   24   2HB   LYS   3          1HB       LYS   3  10.475   8.181  -0.906
   25   1HG   LYS   3          2HG       LYS   3   9.398   9.487  -2.661
   26   2HG   LYS   3          1HG       LYS   3   8.730  10.573  -1.443
   27   1HD   LYS   3          2HD       LYS   3  10.935  11.299  -0.812
   28   2HD   LYS   3          1HD       LYS   3  11.675  10.110  -1.891
   29   1HE   LYS   3          2HE       LYS   3  11.659  12.371  -2.859
   30   2HE   LYS   3          1HE       LYS   3  10.730  11.224  -3.821
   31   1HZ   LYS   3          1HZ       LYS   3   9.694  13.334  -2.013
   32   2HZ   LYS   3          2HZ       LYS   3   8.719  12.085  -2.611
   33   3HZ   LYS   3          3HZ       LYS   3   9.442  13.173  -3.682
   34    H    THR   4           H        THR   4   9.326   6.143  -2.065
   35    HA   THR   4           HA       THR   4   7.676   6.969  -4.366
   36    HB   THR   4           HB       THR   4  10.203   5.323  -4.495
   37    HG1  THR   4           HG1      THR   4  10.220   7.671  -3.627
   38   1HG2  THR   4          1HG2      THR   4   8.737   6.977  -6.558
   39   2HG2  THR   4          2HG2      THR   4   8.712   5.217  -6.450
   40   3HG2  THR   4          3HG2      THR   4  10.216   6.054  -6.828
   41    H    LEU   5           H        LEU   5   5.861   5.749  -3.982
   42    HA   LEU   5           HA       LEU   5   6.258   2.857  -4.350
   43   1HB   LEU   5          2HB       LEU   5   5.600   3.352  -2.023
   44   2HB   LEU   5          1HB       LEU   5   4.156   4.154  -2.612
   45    HG   LEU   5           HG       LEU   5   3.433   1.979  -3.616
   46   1HD1  LEU   5          1HD1      LEU   5   5.623   0.924  -3.795
   47   2HD1  LEU   5          2HD1      LEU   5   4.518  -0.068  -2.843
   48   3HD1  LEU   5          3HD1      LEU   5   5.759   0.890  -2.037
   49   1HD2  LEU   5          1HD2      LEU   5   2.570   2.757  -1.471
   50   2HD2  LEU   5          2HD2      LEU   5   3.917   1.975  -0.642
   51   3HD2  LEU   5          3HD2      LEU   5   2.727   1.000  -1.503
   52    H    ARG   6           H        ARG   6   5.011   1.890  -5.845
   53    HA   ARG   6           HA       ARG   6   2.570   3.186  -6.771
   54   1HB   ARG   6          2HB       ARG   6   3.263   2.621  -9.166
   55   2HB   ARG   6          1HB       ARG   6   3.986   4.040  -8.426
   56   1HG   ARG   6          2HG       ARG   6   6.036   2.867  -8.037
   57   2HG   ARG   6          1HG       ARG   6   5.320   1.348  -8.582
   58   1HD   ARG   6          2HD       ARG   6   5.096   2.170 -10.810
   59   2HD   ARG   6          1HD       ARG   6   5.548   3.799 -10.312
   60    HE   ARG   6           HE       ARG   6   7.739   3.208 -10.481
   61   1HH1  ARG   6          1HH1      ARG   6   5.832   0.266 -10.246
   62   2HH1  ARG   6          2HH1      ARG   6   7.187  -0.780 -10.577
   63   1HH2  ARG   6          1HH2      ARG   6   9.506   1.820 -10.951
   64   2HH2  ARG   6          2HH2      ARG   6   9.244   0.099 -10.992
   65    H    LEU   7           H        LEU   7   0.992   1.775  -7.294
   66    HA   LEU   7           HA       LEU   7   1.620  -1.044  -6.773
   67   1HB   LEU   7          2HB       LEU   7  -1.036   0.392  -6.747
   68   2HB   LEU   7          1HB       LEU   7  -0.793  -1.300  -6.361
   69    HG   LEU   7           HG       LEU   7   0.313   1.037  -4.797
   70   1HD1  LEU   7          1HD1      LEU   7  -2.100   0.798  -4.549
   71   2HD1  LEU   7          2HD1      LEU   7  -1.265   0.329  -3.067
   72   3HD1  LEU   7          3HD1      LEU   7  -1.900  -0.909  -4.150
   73   1HD2  LEU   7          1HD2      LEU   7   1.784  -0.928  -4.748
   74   2HD2  LEU   7          2HD2      LEU   7   0.429  -1.922  -4.211
   75   3HD2  LEU   7          3HD2      LEU   7   1.034  -0.626  -3.181
   76    H    ASN   8           H        ASN   8   1.720  -2.389  -8.389
   77    HA   ASN   8           HA       ASN   8   1.398  -3.448 -10.370
   78   1HB   ASN   8          2HB       ASN   8  -1.035  -1.667 -10.537
   79   2HB   ASN   8          1HB       ASN   8  -0.627  -2.848 -11.774
   80   1HD2  ASN   8          1HD2      ASN   8  -2.419  -4.093 -11.487
   81   2HD2  ASN   8          2HD2      ASN   8  -2.705  -5.035 -10.061
   82    H    ASN   9           H        ASN   9   0.672  -0.004 -10.795
   83    HA   ASN   9           HA       ASN   9   2.936   0.474 -12.442
   84   1HB   ASN   9          2HB       ASN   9   1.652  -0.700 -14.137
   85   2HB   ASN   9          1HB       ASN   9   0.239   0.300 -13.813
   86   1HD2  ASN   9          1HD2      ASN   9   3.457   0.236 -15.159
   87   2HD2  ASN   9          2HD2      ASN   9   3.294   1.665 -16.122
   88    H    VAL  10           H        VAL  10   0.067   1.442 -10.826
   89    HA   VAL  10           HA       VAL  10   0.238   4.184 -11.745
   90    HB   VAL  10           HB       VAL  10  -1.812   4.526 -10.413
   91   1HG1  VAL  10          1HG1      VAL  10  -3.306   3.162 -11.812
   92   2HG1  VAL  10          2HG1      VAL  10  -1.919   2.194 -12.315
   93   3HG1  VAL  10          3HG1      VAL  10  -2.006   3.901 -12.746
   94   1HG2  VAL  10          1HG2      VAL  10  -1.619   1.576  -9.839
   95   2HG2  VAL  10          2HG2      VAL  10  -2.992   2.612  -9.447
   96   3HG2  VAL  10          3HG2      VAL  10  -1.434   2.876  -8.661
   97    H    THR  11           H        THR  11   1.023   5.824 -10.536
   98    HA   THR  11           HA       THR  11   2.625   5.077  -8.290
   99    HB   THR  11           HB       THR  11   3.166   6.875 -10.064
  100    HG1  THR  11           HG1      THR  11   3.578   7.847  -7.432
  101   1HG2  THR  11          1HG2      THR  11   1.480   8.532  -8.183
  102   2HG2  THR  11          2HG2      THR  11   1.125   8.190  -9.877
  103   3HG2  THR  11          3HG2      THR  11   2.529   9.168  -9.450
  104    H    LEU  12           H        LEU  12   2.415   5.849  -6.135
  105    HA   LEU  12           HA       LEU  12  -0.392   6.450  -5.458
  106   1HB   LEU  12          2HB       LEU  12   0.174   4.123  -5.029
  107   2HB   LEU  12          1HB       LEU  12   1.531   4.619  -4.045
  108    HG   LEU  12           HG       LEU  12  -0.082   5.691  -2.470
  109   1HD1  LEU  12          1HD1      LEU  12  -1.956   5.991  -3.993
  110   2HD1  LEU  12          2HD1      LEU  12  -2.434   5.015  -2.605
  111   3HD1  LEU  12          3HD1      LEU  12  -2.120   4.242  -4.159
  112   1HD2  LEU  12          1HD2      LEU  12  -0.391   2.738  -2.974
  113   2HD2  LEU  12          2HD2      LEU  12  -0.805   3.572  -1.477
  114   3HD2  LEU  12          3HD2      LEU  12   0.872   3.512  -2.018
  115    H    GLU  13           H        GLU  13  -0.711   8.114  -4.236
  116    HA   GLU  13           HA       GLU  13   1.491   9.306  -2.729
  117   1HB   GLU  13          2HB       GLU  13  -1.205  10.337  -3.587
  118   2HB   GLU  13          1HB       GLU  13  -0.303  11.130  -2.305
  119   1HG   GLU  13          2HG       GLU  13   0.157  12.309  -4.294
  120   2HG   GLU  13          1HG       GLU  13   1.599  11.373  -3.917
  121    H    MET  14           H        MET  14   0.942  10.050  -0.463
  122    HA   MET  14           HA       MET  14  -1.041   8.470   0.905
  123   1HB   MET  14          2HB       MET  14   0.655   7.313   2.345
  124   2HB   MET  14          1HB       MET  14   0.631   6.761   0.670
  125   1HG   MET  14          2HG       MET  14   2.540   8.403   0.284
  126   2HG   MET  14          1HG       MET  14   2.656   8.491   2.041
  127   1HE   MET  14          1HE       MET  14   3.280   4.650  -0.426
  128   2HE   MET  14          2HE       MET  14   2.978   6.237  -1.134
  129   3HE   MET  14          3HE       MET  14   1.707   5.425  -0.221
  130    H    ALA  15           H        ALA  15  -0.853   8.756   3.286
  131    HA   ALA  15           HA       ALA  15   0.347  11.360   3.961
  132   1HB   ALA  15          1HB       ALA  15  -1.456  11.703   5.549
  133   2HB   ALA  15          2HB       ALA  15  -2.143  10.131   5.144
  134   3HB   ALA  15          3HB       ALA  15  -2.119  11.420   3.939
  135    H    ALA  16           H        ALA  16  -0.848   8.354   5.448
  136    HA   ALA  16           HA       ALA  16   1.583   8.307   7.096
  137   1HB   ALA  16          1HB       ALA  16   0.318   7.476   8.988
  138   2HB   ALA  16          2HB       ALA  16  -1.171   7.532   8.046
  139   3HB   ALA  16          3HB       ALA  16  -0.334   9.028   8.460
  140    H    TYR  17           H        TYR  17   2.453   6.894   5.522
  141    HA   TYR  17           HA       TYR  17   1.266   4.299   5.115
  142   1HB   TYR  17          2HB       TYR  17   2.676   5.509   3.412
  143   2HB   TYR  17          1HB       TYR  17   4.068   5.218   4.445
  144    HD1  TYR  17           HD1      TYR  17   5.027   2.976   4.636
  145    HD2  TYR  17           HD2      TYR  17   1.654   3.710   2.156
  146    HE1  TYR  17           HE1      TYR  17   5.384   0.816   3.512
  147    HE2  TYR  17           HE2      TYR  17   1.999   1.557   1.035
  148    HH   TYR  17           HH       TYR  17   3.839  -0.015   0.616
  149    H    GLN  18           H        GLN  18   1.212   2.991   6.882
  150    HA   GLN  18           HA       GLN  18   3.519   2.845   8.658
  151   1HB   GLN  18          2HB       GLN  18   1.339   2.817   9.718
  152   2HB   GLN  18          1HB       GLN  18   0.827   1.463   8.722
  153   1HG   GLN  18          2HG       GLN  18   2.548   0.064   9.796
  154   2HG   GLN  18          1HG       GLN  18   2.962   1.419  10.845
  155   1HE2  GLN  18          1HE2      GLN  18   1.941  -1.255  11.495
  156   2HE2  GLN  18          2HE2      GLN  18   0.490  -0.980  12.401
  157    H    GLU  19           H        GLU  19   5.148   1.521   8.191
  158    HA   GLU  19           HA       GLU  19   4.524  -0.979   6.795
  159   1HB   GLU  19          2HB       GLU  19   5.611  -0.102   5.049
  160   2HB   GLU  19          1HB       GLU  19   6.351   1.167   6.010
  161   1HG   GLU  19          2HG       GLU  19   7.423  -1.594   6.259
  162   2HG   GLU  19          1HG       GLU  19   7.770  -0.693   4.785
  163    H    GLU  20           H        GLU  20   5.222  -2.738   7.677
  164    HA   GLU  20           HA       GLU  20   7.577  -2.676   9.413
  165   1HB   GLU  20          2HB       GLU  20   6.406  -4.355  10.911
  166   2HB   GLU  20          1HB       GLU  20   5.803  -2.708  11.006
  167   1HG   GLU  20          2HG       GLU  20   4.053  -3.488   9.286
  168   2HG   GLU  20          1HG       GLU  20   4.531  -5.112   9.770
  169    H    SER  21           H        SER  21   8.972  -3.736   8.220
  170    HA   SER  21           HA       SER  21   8.084  -5.753   6.336
  171   1HB   SER  21          2HB       SER  21   9.738  -3.990   5.724
  172   2HB   SER  21          1HB       SER  21  10.875  -4.703   6.865
  173    HG   SER  21           HG       SER  21  11.449  -5.798   5.154
  174    H    GLU  22           H        GLU  22   9.532  -5.617   9.457
  175    HA   GLU  22           HA       GLU  22  10.482  -8.364   9.249
  176   1HB   GLU  22          2HB       GLU  22  10.856  -6.274  11.375
  177   2HB   GLU  22          1HB       GLU  22  11.400  -7.931  11.552
  178   1HG   GLU  22          2HG       GLU  22  12.793  -7.714   9.589
  179   2HG   GLU  22          1HG       GLU  22  12.257  -6.048   9.375
  180    HA   PRO  23           HA       PRO  23   9.320 -11.192  11.858
  181   1HB   PRO  23          2HB       PRO  23   6.957  -9.758  13.024
  182   2HB   PRO  23          1HB       PRO  23   7.747 -11.236  13.599
  183   1HG   PRO  23          2HG       PRO  23   8.427  -8.622  14.376
  184   2HG   PRO  23          1HG       PRO  23   9.433 -10.064  14.604
  185   1HD   PRO  23          2HD       PRO  23  10.098  -7.869  12.988
  186   2HD   PRO  23          1HD       PRO  23  10.830  -9.487  12.867
  187    H    LYS  24           H        LYS  24   6.977  -9.111  10.251
  188    HA   LYS  24           HA       LYS  24   6.466 -11.077   8.272
  189   1HB   LYS  24          2HB       LYS  24   4.956 -11.654  10.378
  190   2HB   LYS  24          1HB       LYS  24   3.971 -10.352   9.731
  191   1HG   LYS  24          2HG       LYS  24   3.859 -11.545   7.577
  192   2HG   LYS  24          1HG       LYS  24   4.752 -12.882   8.304
  193   1HD   LYS  24          2HD       LYS  24   2.945 -13.041  10.024
  194   2HD   LYS  24          1HD       LYS  24   2.034 -11.850   9.095
  195   1HE   LYS  24          2HE       LYS  24   2.857 -14.620   8.246
  196   2HE   LYS  24          1HE       LYS  24   1.222 -14.009   8.484
  197   1HZ   LYS  24          1HZ       LYS  24   1.458 -13.949   6.209
  198   2HZ   LYS  24          2HZ       LYS  24   3.090 -13.511   6.259
  199   3HZ   LYS  24          3HZ       LYS  24   1.891 -12.364   6.616
  200    H    ARG  25           H        ARG  25   6.113  -9.958   6.490
  201    HA   ARG  25           HA       ARG  25   6.192  -7.150   6.533
  202   1HB   ARG  25          2HB       ARG  25   5.556  -9.083   4.308
  203   2HB   ARG  25          1HB       ARG  25   5.706  -7.347   4.059
  204   1HG   ARG  25          2HG       ARG  25   8.006  -7.414   4.829
  205   2HG   ARG  25          1HG       ARG  25   7.865  -9.142   5.151
  206   1HD   ARG  25          2HD       ARG  25   7.537  -9.597   2.805
  207   2HD   ARG  25          1HD       ARG  25   7.510  -7.872   2.440
  208    HE   ARG  25           HE       ARG  25   9.899  -7.999   3.458
  209   1HH1  ARG  25          1HH1      ARG  25   8.396 -10.432   1.426
  210   2HH1  ARG  25          2HH1      ARG  25   9.893 -10.966   0.742
  211   1HH2  ARG  25          1HH2      ARG  25  11.868  -8.689   2.547
  212   2HH2  ARG  25          2HH2      ARG  25  11.869  -9.961   1.353
  213    H    LYS  26           H        LYS  26   4.624  -5.952   7.326
  214    HA   LYS  26           HA       LYS  26   1.934  -6.289   6.184
  215   1HB   LYS  26          2HB       LYS  26   2.048  -7.088   8.568
  216   2HB   LYS  26          1HB       LYS  26   2.505  -5.460   9.040
  217   1HG   LYS  26          2HG       LYS  26   0.023  -5.723   7.462
  218   2HG   LYS  26          1HG       LYS  26  -0.006  -6.370   9.101
  219   1HD   LYS  26          2HD       LYS  26   1.231  -3.744   8.977
  220   2HD   LYS  26          1HD       LYS  26  -0.425  -3.735   8.366
  221   1HE   LYS  26          2HE       LYS  26  -0.460  -3.280  10.726
  222   2HE   LYS  26          1HE       LYS  26  -1.154  -4.872  10.439
  223   1HZ   LYS  26          1HZ       LYS  26   1.548  -4.243  11.502
  224   2HZ   LYS  26          2HZ       LYS  26   1.075  -5.795  11.021
  225   3HZ   LYS  26          3HZ       LYS  26   0.276  -5.034  12.305
  226    H    ILE  27           H        ILE  27   1.136  -4.492   5.287
  227    HA   ILE  27           HA       ILE  27   2.358  -1.919   5.993
  228    HB   ILE  27           HB       ILE  27   2.241  -1.295   3.544
  229   1HG1  ILE  27          2HG1      ILE  27   2.142  -4.298   3.181
  230   2HG1  ILE  27          1HG1      ILE  27   0.802  -3.205   2.853
  231   1HG2  ILE  27          1HG2      ILE  27   4.409  -2.332   3.024
  232   2HG2  ILE  27          2HG2      ILE  27   4.191  -3.439   4.380
  233   3HG2  ILE  27          3HG2      ILE  27   4.350  -1.706   4.673
  234   1HD1  ILE  27          1HD1      ILE  27   1.944  -3.843   0.811
  235   2HD1  ILE  27          2HD1      ILE  27   3.460  -3.210   1.449
  236   3HD1  ILE  27          3HD1      ILE  27   2.120  -2.114   1.115
  237    H    ALA  28           H        ALA  28   0.877  -0.521   6.560
  238    HA   ALA  28           HA       ALA  28  -1.746  -0.573   5.236
  239   1HB   ALA  28          1HB       ALA  28  -2.001  -1.731   7.379
  240   2HB   ALA  28          2HB       ALA  28  -2.867  -0.194   7.380
  241   3HB   ALA  28          3HB       ALA  28  -1.321  -0.337   8.217
  242    H    PHE  29           H        PHE  29  -1.897   1.351   4.241
  243    HA   PHE  29           HA       PHE  29  -0.675   3.641   5.628
  244   1HB   PHE  29          2HB       PHE  29  -0.345   4.710   3.471
  245   2HB   PHE  29          1HB       PHE  29   0.437   3.138   3.510
  246    HD1  PHE  29           HD2      PHE  29  -0.538   1.247   2.249
  247    HD2  PHE  29           HD1      PHE  29  -2.059   5.207   1.931
  248    HE1  PHE  29           HE2      PHE  29  -1.683   0.634   0.159
  249    HE2  PHE  29           HE1      PHE  29  -3.209   4.603  -0.157
  250    HZ   PHE  29           HZ       PHE  29  -3.022   2.316  -1.048
  251    H    THR  30           H        THR  30  -1.764   5.458   5.946
  252    HA   THR  30           HA       THR  30  -4.628   5.407   5.636
  253    HB   THR  30           HB       THR  30  -2.861   7.637   6.667
  254    HG1  THR  30           HG1      THR  30  -3.420   5.216   7.707
  255   1HG2  THR  30          1HG2      THR  30  -5.111   8.378   6.104
  256   2HG2  THR  30          2HG2      THR  30  -4.904   8.341   7.854
  257   3HG2  THR  30          3HG2      THR  30  -5.803   7.057   7.043
  258    H    LEU  31           H        LEU  31  -5.546   5.940   3.789
  259    HA   LEU  31           HA       LEU  31  -4.255   7.932   2.047
  260   1HB   LEU  31          2HB       LEU  31  -5.021   5.442   1.358
  261   2HB   LEU  31          1HB       LEU  31  -6.532   6.279   1.091
  262    HG   LEU  31           HG       LEU  31  -3.928   7.091  -0.202
  263   1HD1  LEU  31          1HD1      LEU  31  -4.851   6.094  -2.251
  264   2HD1  LEU  31          2HD1      LEU  31  -6.200   5.449  -1.312
  265   3HD1  LEU  31          3HD1      LEU  31  -4.556   4.892  -0.995
  266   1HD2  LEU  31          1HD2      LEU  31  -5.553   8.896   0.005
  267   2HD2  LEU  31          2HD2      LEU  31  -6.784   7.887  -0.753
  268   3HD2  LEU  31          3HD2      LEU  31  -5.373   8.400  -1.678
  269    H    ASN  32           H        ASN  32  -5.113   9.908   2.289
  270    HA   ASN  32           HA       ASN  32  -7.785  10.121   3.378
  271   1HB   ASN  32          2HB       ASN  32  -7.164  12.605   3.485
  272   2HB   ASN  32          1HB       ASN  32  -6.356  11.496   4.574
  273   1HD2  ASN  32          1HD2      ASN  32  -5.612  11.834   1.164
  274   2HD2  ASN  32          2HD2      ASN  32  -4.083  12.600   1.386
  275    H    VAL  33           H        VAL  33  -9.270   9.830   1.915
  276    HA   VAL  33           HA       VAL  33  -9.090  10.736  -0.803
  277    HB   VAL  33           HB       VAL  33 -11.375   9.560   0.783
  278   1HG1  VAL  33          1HG1      VAL  33 -11.149  10.040  -2.180
  279   2HG1  VAL  33          2HG1      VAL  33 -12.272  10.817  -1.062
  280   3HG1  VAL  33          3HG1      VAL  33 -12.410   9.091  -1.396
  281   1HG2  VAL  33          1HG2      VAL  33 -10.826   7.511  -0.478
  282   2HG2  VAL  33          2HG2      VAL  33  -9.527   8.046   0.588
  283   3HG2  VAL  33          3HG2      VAL  33  -9.418   8.337  -1.149
  284    H    THR  34           H        THR  34 -10.114  12.527  -1.760
  285    HA   THR  34           HA       THR  34 -10.878  14.538   0.196
  286    HB   THR  34           HB       THR  34 -10.539  16.184  -1.432
  287    HG1  THR  34           HG1      THR  34 -10.622  14.050  -3.362
  288   1HG2  THR  34          1HG2      THR  34  -8.459  15.142  -0.679
  289   2HG2  THR  34          2HG2      THR  34  -8.318  15.727  -2.336
  290   3HG2  THR  34          3HG2      THR  34  -8.535  14.005  -2.023
  291    H    SER  35           H        SER  35 -12.762  15.926  -0.211
  292    HA   SER  35           HA       SER  35 -15.035  14.354  -0.018
  293   1HB   SER  35          2HB       SER  35 -14.974  17.307  -0.647
  294   2HB   SER  35          1HB       SER  35 -16.252  16.417   0.182
  295    HG   SER  35           HG       SER  35 -14.519  15.873   1.758
  296    H    GLU  36           H        GLU  36 -13.693  15.891  -2.861
  297    HA   GLU  36           HA       GLU  36 -16.103  16.005  -4.363
  298   1HB   GLU  36          2HB       GLU  36 -14.020  17.347  -4.815
  299   2HB   GLU  36          1HB       GLU  36 -13.284  15.883  -5.445
  300   1HG   GLU  36          2HG       GLU  36 -14.105  17.253  -7.252
  301   2HG   GLU  36          1HG       GLU  36 -15.029  15.754  -7.158
  302    H    THR  37           H        THR  37 -13.279  13.868  -4.681
  303    HA   THR  37           HA       THR  37 -14.694  12.079  -6.431
  304    HB   THR  37           HB       THR  37 -12.354  10.807  -5.778
  305    HG1  THR  37           HG1      THR  37 -11.072  12.229  -4.834
  306   1HG2  THR  37          1HG2      THR  37 -13.161  11.327  -8.043
  307   2HG2  THR  37          2HG2      THR  37 -11.474  11.806  -7.847
  308   3HG2  THR  37          3HG2      THR  37 -12.750  13.025  -7.799
  309    H    TYR  38           H        TYR  38 -14.523  12.455  -3.130
  310    HA   TYR  38           HA       TYR  38 -14.248  10.007  -1.953
  311   1HB   TYR  38          2HB       TYR  38 -14.576  12.147  -0.763
  312   2HB   TYR  38          1HB       TYR  38 -16.272  12.135  -1.224
  313    HD1  TYR  38           HD2      TYR  38 -13.737  10.670   0.968
  314    HD2  TYR  38           HD1      TYR  38 -17.849  10.649  -0.125
  315    HE1  TYR  38           HE2      TYR  38 -14.271   9.426   3.019
  316    HE2  TYR  38           HE1      TYR  38 -18.395   9.409   1.926
  317    HH   TYR  38           HH       TYR  38 -17.183   7.859   3.508
  318    H    HIS  39           H        HIS  39 -17.033  11.162  -3.757
  319    HA   HIS  39           HA       HIS  39 -18.894   9.335  -2.657
  320   1HB   HIS  39          2HB       HIS  39 -18.984  10.894  -5.244
  321   2HB   HIS  39          1HB       HIS  39 -20.347  10.016  -4.554
  322    HD1  HIS  39           HD1      HIS  39 -19.064  13.304  -4.735
  323    HD2  HIS  39           HD2      HIS  39 -20.791  11.029  -1.715
  324    HE1  HIS  39           HE1      HIS  39 -19.793  14.951  -2.980
  325    HE2  HIS  39           HE2      HIS  39 -20.691  13.536  -1.093
  326    H    ASP  40           H        ASP  40 -17.199   9.306  -5.807
  327    HA   ASP  40           HA       ASP  40 -18.243   6.737  -6.517
  328   1HB   ASP  40          2HB       ASP  40 -17.498   8.406  -8.190
  329   2HB   ASP  40          1HB       ASP  40 -15.839   8.192  -7.641
  330    H    ILE  41           H        ILE  41 -15.343   7.906  -4.987
  331    HA   ILE  41           HA       ILE  41 -13.890   5.487  -4.954
  332    HB   ILE  41           HB       ILE  41 -13.779   7.911  -3.151
  333   1HG1  ILE  41          2HG1      ILE  41 -12.014   7.020  -5.436
  334   2HG1  ILE  41          1HG1      ILE  41 -13.241   8.278  -5.532
  335   1HG2  ILE  41          1HG2      ILE  41 -11.556   7.110  -2.462
  336   2HG2  ILE  41          2HG2      ILE  41 -11.853   5.600  -3.324
  337   3HG2  ILE  41          3HG2      ILE  41 -12.853   6.038  -1.935
  338   1HD1  ILE  41          1HD1      ILE  41 -11.996   9.602  -3.903
  339   2HD1  ILE  41          2HD1      ILE  41 -11.028   9.231  -5.330
  340   3HD1  ILE  41          3HD1      ILE  41 -10.763   8.344  -3.828
  341    H    ALA  42           H        ALA  42 -16.546   6.682  -3.098
  342    HA   ALA  42           HA       ALA  42 -16.308   4.830  -0.930
  343   1HB   ALA  42          1HB       ALA  42 -17.523   6.941  -0.689
  344   2HB   ALA  42          2HB       ALA  42 -18.548   5.554  -0.318
  345   3HB   ALA  42          3HB       ALA  42 -18.717   6.387  -1.864
  346    H    VAL  43           H        VAL  43 -17.167   4.476  -4.150
  347    HA   VAL  43           HA       VAL  43 -18.946   2.211  -3.652
  348    HB   VAL  43           HB       VAL  43 -18.034   3.309  -6.321
  349   1HG1  VAL  43          1HG1      VAL  43 -19.966   2.113  -7.210
  350   2HG1  VAL  43          2HG1      VAL  43 -20.356   1.525  -5.594
  351   3HG1  VAL  43          3HG1      VAL  43 -18.866   1.008  -6.386
  352   1HG2  VAL  43          1HG2      VAL  43 -19.212   5.047  -5.099
  353   2HG2  VAL  43          2HG2      VAL  43 -20.538   3.935  -4.757
  354   3HG2  VAL  43          3HG2      VAL  43 -20.217   4.441  -6.415
  355    H    LEU  44           H        LEU  44 -15.715   2.991  -4.752
  356    HA   LEU  44           HA       LEU  44 -15.044   0.375  -5.668
  357   1HB   LEU  44          2HB       LEU  44 -13.830   2.504  -6.256
  358   2HB   LEU  44          1HB       LEU  44 -13.140   2.479  -4.646
  359    HG   LEU  44           HG       LEU  44 -12.151   0.236  -5.186
  360   1HD1  LEU  44          1HD1      LEU  44 -11.963  -0.380  -7.550
  361   2HD1  LEU  44          2HD1      LEU  44 -13.047   0.944  -7.978
  362   3HD1  LEU  44          3HD1      LEU  44 -13.638  -0.399  -6.999
  363   1HD2  LEU  44          1HD2      LEU  44 -10.844   2.299  -5.280
  364   2HD2  LEU  44          2HD2      LEU  44 -11.316   2.517  -6.966
  365   3HD2  LEU  44          3HD2      LEU  44 -10.326   1.134  -6.498
  366    H    LEU  45           H        LEU  45 -13.303  -0.980  -4.616
  367    HA   LEU  45           HA       LEU  45 -13.496  -0.963  -1.701
  368   1HB   LEU  45          2HB       LEU  45 -13.977  -3.315  -3.535
  369   2HB   LEU  45          1HB       LEU  45 -13.691  -3.471  -1.813
  370    HG   LEU  45           HG       LEU  45 -16.008  -1.960  -3.025
  371   1HD1  LEU  45          1HD1      LEU  45 -16.139  -4.364  -3.491
  372   2HD1  LEU  45          2HD1      LEU  45 -17.376  -3.848  -2.345
  373   3HD1  LEU  45          3HD1      LEU  45 -15.945  -4.703  -1.770
  374   1HD2  LEU  45          1HD2      LEU  45 -15.322  -1.172  -0.811
  375   2HD2  LEU  45          2HD2      LEU  45 -15.441  -2.816  -0.188
  376   3HD2  LEU  45          3HD2      LEU  45 -16.887  -1.980  -0.755
  377    H    TYR  46           H        TYR  46 -12.018  -2.890  -0.960
  378    HA   TYR  46           HA       TYR  46  -9.307  -2.375  -1.464
  379   1HB   TYR  46          2HB       TYR  46 -10.348  -5.095  -0.666
  380   2HB   TYR  46          1HB       TYR  46  -8.872  -4.286  -0.151
  381    HD1  TYR  46           HD1      TYR  46  -8.930  -2.593   1.595
  382    HD2  TYR  46           HD2      TYR  46 -12.467  -4.599   0.341
  383    HE1  TYR  46           HE1      TYR  46 -10.082  -1.781   3.606
  384    HE2  TYR  46           HE2      TYR  46 -13.637  -3.799   2.361
  385    HH   TYR  46           HH       TYR  46 -12.219  -1.443   4.483
  386    H    GLU  47           H        GLU  47 -11.646  -4.527  -2.864
  387    HA   GLU  47           HA       GLU  47 -11.846  -5.581  -4.798
  388   1HB   GLU  47          2HB       GLU  47  -9.240  -4.239  -5.504
  389   2HB   GLU  47          1HB       GLU  47 -10.156  -5.238  -6.624
  390   1HG   GLU  47          2HG       GLU  47 -11.075  -2.677  -5.339
  391   2HG   GLU  47          1HG       GLU  47 -10.610  -2.905  -7.023
  392    H    LYS  48           H        LYS  48  -8.370  -6.009  -5.147
  393    HA   LYS  48           HA       LYS  48  -8.706  -8.784  -4.269
  394   1HB   LYS  48          2HB       LYS  48  -7.892  -7.936  -7.044
  395   2HB   LYS  48          1HB       LYS  48  -7.564  -9.540  -6.408
  396   1HG   LYS  48          2HG       LYS  48 -10.317  -8.341  -6.617
  397   2HG   LYS  48          1HG       LYS  48  -9.590  -9.394  -7.834
  398   1HD   LYS  48          2HD       LYS  48  -9.962 -10.165  -4.943
  399   2HD   LYS  48          1HD       LYS  48 -11.112 -10.558  -6.224
  400   1HE   LYS  48          2HE       LYS  48  -9.470 -11.882  -7.368
  401   2HE   LYS  48          1HE       LYS  48  -8.203 -11.353  -6.262
  402   1HZ   LYS  48          1HZ       LYS  48 -10.589 -12.887  -5.389
  403   2HZ   LYS  48          2HZ       LYS  48  -9.180 -12.556  -4.497
  404   3HZ   LYS  48          3HZ       LYS  48  -9.116 -13.615  -5.817
  405    H    THR  49           H        THR  49  -6.107  -7.634  -6.319
  406    HA   THR  49           HA       THR  49  -4.264  -8.034  -4.066
  407    HB   THR  49           HB       THR  49  -4.211 -10.017  -5.475
  408    HG1  THR  49           HG1      THR  49  -2.134 -10.091  -5.215
  409   1HG2  THR  49          1HG2      THR  49  -3.505  -8.147  -7.731
  410   2HG2  THR  49          2HG2      THR  49  -5.001  -9.068  -7.569
  411   3HG2  THR  49          3HG2      THR  49  -3.471  -9.908  -7.817
  412    H    PHE  50           H        PHE  50  -2.080  -7.192  -4.541
  413    HA   PHE  50           HA       PHE  50  -2.070  -4.836  -6.277
  414   1HB   PHE  50          2HB       PHE  50  -1.344  -4.748  -3.339
  415   2HB   PHE  50          1HB       PHE  50  -1.187  -3.416  -4.478
  416    HD1  PHE  50           HD2      PHE  50  -3.171  -2.273  -5.333
  417    HD2  PHE  50           HD1      PHE  50  -3.455  -5.342  -2.400
  418    HE1  PHE  50           HE2      PHE  50  -5.463  -1.553  -4.804
  419    HE2  PHE  50           HE1      PHE  50  -5.745  -4.631  -1.866
  420    HZ   PHE  50           HZ       PHE  50  -6.753  -2.730  -3.073
  421    H    ASN  51           H        ASN  51  -0.264  -4.829  -7.431
  422    HA   ASN  51           HA       ASN  51   2.067  -6.320  -6.585
  423   1HB   ASN  51          2HB       ASN  51   1.652  -6.308  -8.946
  424   2HB   ASN  51          1HB       ASN  51   1.521  -4.554  -8.978
  425   1HD2  ASN  51          1HD2      ASN  51   3.709  -7.264  -8.785
  426   2HD2  ASN  51          2HD2      ASN  51   5.151  -6.368  -9.125
  427    H    VAL  52           H        VAL  52   3.005  -5.453  -4.859
  428    HA   VAL  52           HA       VAL  52   3.324  -2.578  -4.592
  429    HB   VAL  52           HB       VAL  52   4.239  -4.762  -2.710
  430   1HG1  VAL  52          1HG1      VAL  52   3.829  -1.805  -2.280
  431   2HG1  VAL  52          2HG1      VAL  52   5.380  -2.639  -2.369
  432   3HG1  VAL  52          3HG1      VAL  52   4.273  -2.973  -1.036
  433   1HG2  VAL  52          1HG2      VAL  52   2.212  -4.254  -1.408
  434   2HG2  VAL  52          2HG2      VAL  52   1.839  -4.904  -3.005
  435   3HG2  VAL  52          3HG2      VAL  52   1.675  -3.176  -2.695
  436    H    GLU  53           H        GLU  53   4.853  -1.961  -6.046
  437    HA   GLU  53           HA       GLU  53   7.501  -3.203  -5.769
  438   1HB   GLU  53          2HB       GLU  53   6.453  -3.499  -8.014
  439   2HB   GLU  53          1HB       GLU  53   6.400  -1.751  -8.183
  440   1HG   GLU  53          2HG       GLU  53   8.775  -1.605  -8.216
  441   2HG   GLU  53          1HG       GLU  53   8.939  -3.304  -7.775
  442    H    VAL  54           H        VAL  54   9.003  -2.065  -4.954
  443    HA   VAL  54           HA       VAL  54   8.701   0.847  -4.874
  444    HB   VAL  54           HB       VAL  54   7.850  -0.188  -2.783
  445   1HG1  VAL  54          1HG1      VAL  54   9.397  -1.147  -1.166
  446   2HG1  VAL  54          2HG1      VAL  54  10.693  -1.074  -2.360
  447   3HG1  VAL  54          3HG1      VAL  54   9.299  -2.122  -2.633
  448   1HG2  VAL  54          1HG2      VAL  54   9.083   1.258  -1.257
  449   2HG2  VAL  54          2HG2      VAL  54   8.667   2.059  -2.772
  450   3HG2  VAL  54          3HG2      VAL  54  10.314   1.492  -2.498
  451    HA   PRO  55           HA       PRO  55  12.855   0.328  -6.407
  452   1HB   PRO  55          2HB       PRO  55  13.345   2.949  -6.884
  453   2HB   PRO  55          1HB       PRO  55  12.337   1.949  -7.935
  454   1HG   PRO  55          2HG       PRO  55  11.523   3.912  -5.833
  455   2HG   PRO  55          1HG       PRO  55  10.824   3.630  -7.436
  456   1HD   PRO  55          2HD       PRO  55   9.738   2.656  -5.135
  457   2HD   PRO  55          1HD       PRO  55   9.562   1.857  -6.709
  458    H    GLU  56           H        GLU  56  12.045   2.684  -3.882
  459    HA   GLU  56           HA       GLU  56  14.689   3.300  -3.130
  460   1HB   GLU  56          2HB       GLU  56  13.629   4.096  -0.991
  461   2HB   GLU  56          1HB       GLU  56  12.948   4.780  -2.461
  462   1HG   GLU  56          2HG       GLU  56  11.071   3.257  -2.329
  463   2HG   GLU  56          1HG       GLU  56  11.767   2.494  -0.902
  464    H    ARG  57           H        ARG  57  12.500   0.751  -2.122
  465    HA   ARG  57           HA       ARG  57  14.478  -0.258  -0.210
  466   1HB   ARG  57          2HB       ARG  57  11.560  -0.697  -0.635
  467   2HB   ARG  57          1HB       ARG  57  12.488  -2.006   0.070
  468   1HG   ARG  57          2HG       ARG  57  11.380  -0.595   1.744
  469   2HG   ARG  57          1HG       ARG  57  13.133  -0.623   1.927
  470   1HD   ARG  57          2HD       ARG  57  11.972   1.551   0.278
  471   2HD   ARG  57          1HD       ARG  57  11.692   1.626   2.016
  472    HE   ARG  57           HE       ARG  57  14.439   1.224   1.127
  473   1HH1  ARG  57          1HH1      ARG  57  11.999   3.519   2.119
  474   2HH1  ARG  57          2HH1      ARG  57  13.136   4.610   2.848
  475   1HH2  ARG  57          1HH2      ARG  57  15.962   2.689   2.031
  476   2HH2  ARG  57          2HH2      ARG  57  15.380   4.131   2.821
  477    H    ASP  58           H        ASP  58  13.740  -0.525  -3.389
  478    HA   ASP  58           HA       ASP  58  13.916  -2.044  -5.060
  479   1HB   ASP  58          2HB       ASP  58  16.309  -1.842  -4.235
  480   2HB   ASP  58          1HB       ASP  58  16.048  -3.356  -3.373
  481    H    LEU  59           H        LEU  59  11.754  -2.748  -4.241
  482    HA   LEU  59           HA       LEU  59  11.841  -5.606  -3.565
  483   1HB   LEU  59          2HB       LEU  59  11.242  -3.741  -1.677
  484   2HB   LEU  59          1HB       LEU  59   9.653  -4.041  -2.346
  485    HG   LEU  59           HG       LEU  59  11.463  -6.151  -1.159
  486   1HD1  LEU  59          1HD1      LEU  59   9.838  -6.178   0.672
  487   2HD1  LEU  59          2HD1      LEU  59   8.981  -4.828  -0.073
  488   3HD1  LEU  59          3HD1      LEU  59  10.626  -4.608   0.521
  489   1HD2  LEU  59          1HD2      LEU  59   9.502  -7.605  -1.296
  490   2HD2  LEU  59          2HD2      LEU  59   9.996  -7.052  -2.896
  491   3HD2  LEU  59          3HD2      LEU  59   8.600  -6.321  -2.103
  492    H    ALA  60           H        ALA  60  10.710  -6.713  -5.003
  493    HA   ALA  60           HA       ALA  60   8.356  -5.438  -6.239
  494   1HB   ALA  60          1HB       ALA  60  10.122  -7.589  -7.414
  495   2HB   ALA  60          2HB       ALA  60  10.138  -5.886  -7.871
  496   3HB   ALA  60          3HB       ALA  60   8.707  -6.868  -8.185
  497    H    PHE  61           H        PHE  61   6.748  -6.152  -4.922
  498    HA   PHE  61           HA       PHE  61   6.511  -9.066  -4.533
  499   1HB   PHE  61          2HB       PHE  61   7.325  -8.060  -2.462
  500   2HB   PHE  61          1HB       PHE  61   6.022  -6.884  -2.492
  501    HD1  PHE  61           HD2      PHE  61   6.713 -10.516  -2.201
  502    HD2  PHE  61           HD1      PHE  61   3.998  -7.332  -1.441
  503    HE1  PHE  61           HE2      PHE  61   5.334 -12.023  -0.841
  504    HE2  PHE  61           HE1      PHE  61   2.614  -8.833  -0.073
  505    HZ   PHE  61           HZ       PHE  61   3.279 -11.185   0.226
  506    H    ARG  62           H        ARG  62   4.409  -9.881  -4.566
  507    HA   ARG  62           HA       ARG  62   2.297  -7.917  -5.145
  508   1HB   ARG  62          2HB       ARG  62   2.875  -9.072  -7.204
  509   2HB   ARG  62          1HB       ARG  62   2.677 -10.631  -6.418
  510   1HG   ARG  62          2HG       ARG  62   0.320 -10.296  -6.197
  511   2HG   ARG  62          1HG       ARG  62   0.453  -8.633  -6.774
  512   1HD   ARG  62          2HD       ARG  62   1.073  -9.356  -8.951
  513   2HD   ARG  62          1HD       ARG  62   1.279 -11.016  -8.403
  514    HE   ARG  62           HE       ARG  62  -1.370  -9.749  -8.320
  515   1HH1  ARG  62          1HH1      ARG  62   0.784 -12.236  -9.547
  516   2HH1  ARG  62          2HH1      ARG  62  -0.503 -13.165 -10.269
  517   1HH2  ARG  62          1HH2      ARG  62  -3.056 -10.997  -9.267
  518   2HH2  ARG  62          2HH2      ARG  62  -2.665 -12.477 -10.082
  519    H    GLY  63           H        GLY  63   0.989  -7.864  -3.473
  520   1HA   GLY  63          2HA       GLY  63   0.342 -10.413  -2.123
  521   2HA   GLY  63          1HA       GLY  63   0.686  -8.945  -1.222
  522    H    GLU  64           H        GLU  64  -1.761 -10.832  -1.951
  523    HA   GLU  64           HA       GLU  64  -3.660  -8.662  -2.428
  524   1HB   GLU  64          2HB       GLU  64  -5.347 -10.493  -2.604
  525   2HB   GLU  64          1HB       GLU  64  -4.066 -10.583  -3.800
  526   1HG   GLU  64          2HG       GLU  64  -2.940 -12.252  -2.293
  527   2HG   GLU  64          1HG       GLU  64  -4.437 -12.281  -1.360
  528    H    MET  65           H        MET  65  -5.445  -8.345  -0.975
  529    HA   MET  65           HA       MET  65  -4.491  -8.179   1.671
  530   1HB   MET  65          2HB       MET  65  -7.265  -7.753   0.575
  531   2HB   MET  65          1HB       MET  65  -6.795  -7.400   2.232
  532   1HG   MET  65          2HG       MET  65  -5.059  -5.854   1.296
  533   2HG   MET  65          1HG       MET  65  -5.822  -6.087  -0.280
  534   1HE   MET  65          1HE       MET  65  -5.447  -3.250   0.983
  535   2HE   MET  65          2HE       MET  65  -7.025  -2.509   0.711
  536   3HE   MET  65          3HE       MET  65  -6.280  -3.496  -0.549
  537    H    THR  66           H        THR  66  -4.725  -9.393   3.387
  538    HA   THR  66           HA       THR  66  -6.208 -11.892   3.191
  539    HB   THR  66           HB       THR  66  -5.081 -12.454   5.311
  540    HG1  THR  66           HG1      THR  66  -4.841 -10.466   6.299
  541   1HG2  THR  66          1HG2      THR  66  -2.776 -12.521   4.463
  542   2HG2  THR  66          2HG2      THR  66  -3.204 -11.351   3.216
  543   3HG2  THR  66          3HG2      THR  66  -3.937 -12.957   3.207
  544    H    ASN  67           H        ASN  67  -6.604  -8.750   4.234
  545    HA   ASN  67           HA       ASN  67  -8.561  -9.490   6.305
  546   1HB   ASN  67          2HB       ASN  67  -6.999  -6.902   6.180
  547   2HB   ASN  67          1HB       ASN  67  -8.010  -7.478   7.500
  548   1HD2  ASN  67          1HD2      ASN  67  -5.204  -6.673   7.478
  549   2HD2  ASN  67          2HD2      ASN  67  -4.314  -8.033   8.073
  550    H    TYR  68           H        TYR  68 -10.586  -8.858   5.925
  551    HA   TYR  68           HA       TYR  68 -11.022  -6.604   4.096
  552   1HB   TYR  68          2HB       TYR  68 -12.544  -9.212   4.201
  553   2HB   TYR  68          1HB       TYR  68 -13.140  -7.779   3.371
  554    HD1  TYR  68           HD2      TYR  68 -11.725  -6.815   1.483
  555    HD2  TYR  68           HD1      TYR  68 -11.049 -10.684   3.126
  556    HE1  TYR  68           HE2      TYR  68 -10.468  -7.445  -0.534
  557    HE2  TYR  68           HE1      TYR  68  -9.788 -11.321   1.114
  558    HH   TYR  68           HH       TYR  68  -8.684  -9.106  -1.150
  559    H    SER  69           H        SER  69 -11.618  -5.028   5.415
  560    HA   SER  69           HA       SER  69 -13.492  -5.601   7.585
  561   1HB   SER  69          2HB       SER  69 -12.850  -3.219   8.276
  562   2HB   SER  69          1HB       SER  69 -11.576  -4.439   8.378
  563    HG   SER  69           HG       SER  69 -11.136  -2.295   7.291
  564    H    THR  70           H        THR  70 -14.608  -3.065   7.860
  565    HA   THR  70           HA       THR  70 -16.228  -2.911   5.421
  566    HB   THR  70           HB       THR  70 -17.886  -1.733   6.993
  567    HG1  THR  70           HG1      THR  70 -17.599  -2.069   9.159
  568   1HG2  THR  70          1HG2      THR  70 -18.262  -3.964   6.088
  569   2HG2  THR  70          2HG2      THR  70 -18.778  -3.898   7.773
  570   3HG2  THR  70          3HG2      THR  70 -17.249  -4.665   7.350
  571    H    SER  71           H        SER  71 -14.342  -1.593   4.656
  572    HA   SER  71           HA       SER  71 -15.031   1.226   5.087
  573   1HB   SER  71          2HB       SER  71 -12.209   0.153   4.844
  574   2HB   SER  71          1HB       SER  71 -12.656   1.856   4.947
  575    HG   SER  71           HG       SER  71 -13.723   1.172   7.010
  576    H    LEU  72           H        LEU  72 -16.126   1.464   3.223
  577    HA   LEU  72           HA       LEU  72 -15.093   0.312   0.753
  578   1HB   LEU  72          2HB       LEU  72 -17.666   1.754   1.399
  579   2HB   LEU  72          1HB       LEU  72 -17.245   1.203  -0.206
  580    HG   LEU  72           HG       LEU  72 -17.165  -1.143   0.723
  581   1HD1  LEU  72          1HD1      LEU  72 -18.388  -1.570   2.800
  582   2HD1  LEU  72          2HD1      LEU  72 -18.489   0.165   3.094
  583   3HD1  LEU  72          3HD1      LEU  72 -16.919  -0.639   3.086
  584   1HD2  LEU  72          1HD2      LEU  72 -19.041  -0.319  -0.584
  585   2HD2  LEU  72          2HD2      LEU  72 -19.781   0.340   0.875
  586   3HD2  LEU  72          3HD2      LEU  72 -19.591  -1.403   0.694
  587    H    THR  73           H        THR  73 -13.210   1.909   0.939
  588    HA   THR  73           HA       THR  73 -13.613   4.053  -0.907
  589    HB   THR  73           HB       THR  73 -13.053   4.790   1.984
  590    HG1  THR  73           HG1      THR  73 -15.308   4.707   0.564
  591   1HG2  THR  73          1HG2      THR  73 -12.926   6.485  -0.504
  592   2HG2  THR  73          2HG2      THR  73 -11.588   6.064   0.570
  593   3HG2  THR  73          3HG2      THR  73 -12.889   7.106   1.147
  594    H    ASN  74           H        ASN  74 -11.777   3.865  -2.126
  595    HA   ASN  74           HA       ASN  74  -9.255   4.500  -1.090
  596   1HB   ASN  74          2HB       ASN  74  -8.087   2.332  -1.293
  597   2HB   ASN  74          1HB       ASN  74  -9.277   2.348   0.000
  598   1HD2  ASN  74          1HD2      ASN  74  -9.460   0.140   0.031
  599   2HD2  ASN  74          2HD2      ASN  74 -10.238  -0.752  -1.227
  600    H    LEU  75           H        LEU  75  -7.430   4.054  -2.616
  601    HA   LEU  75           HA       LEU  75  -6.359   3.699  -4.558
  602   1HB   LEU  75          2HB       LEU  75  -8.652   1.855  -4.719
  603   2HB   LEU  75          1HB       LEU  75  -7.786   2.155  -6.212
  604    HG   LEU  75           HG       LEU  75  -6.928   0.159  -5.137
  605   1HD1  LEU  75          1HD1      LEU  75  -5.352   1.505  -6.393
  606   2HD1  LEU  75          2HD1      LEU  75  -4.557   0.747  -5.014
  607   3HD1  LEU  75          3HD1      LEU  75  -4.989   2.456  -4.953
  608   1HD2  LEU  75          1HD2      LEU  75  -5.821   0.235  -2.969
  609   2HD2  LEU  75          2HD2      LEU  75  -7.516   0.698  -2.825
  610   3HD2  LEU  75          3HD2      LEU  75  -6.258   1.934  -2.793
  611    H    TYR  76           H        TYR  76  -8.409   6.003  -4.519
  612    HA   TYR  76           HA       TYR  76  -7.994   6.552  -7.350
  613   1HB   TYR  76          2HB       TYR  76 -10.643   6.097  -6.152
  614   2HB   TYR  76          1HB       TYR  76 -10.515   7.560  -7.120
  615    HD1  TYR  76           HD2      TYR  76  -9.480   7.273  -9.493
  616    HD2  TYR  76           HD1      TYR  76 -11.079   4.066  -7.202
  617    HE1  TYR  76           HE2      TYR  76  -9.757   5.951 -11.546
  618    HE2  TYR  76           HE1      TYR  76 -11.360   2.737  -9.251
  619    HH   TYR  76           HH       TYR  76  -9.969   3.659 -12.252
  620    H    GLU  77           H        GLU  77  -6.975   7.639  -4.757
  621    HA   GLU  77           HA       GLU  77  -7.678  10.429  -5.283
  622   1HB   GLU  77          2HB       GLU  77  -9.073   9.643  -3.404
  623   2HB   GLU  77          1HB       GLU  77  -7.610   9.230  -2.516
  624   1HG   GLU  77          2HG       GLU  77  -8.449  11.338  -1.745
  625   2HG   GLU  77          1HG       GLU  77  -6.930  11.593  -2.602
  626    HA   PRO  78           HA       PRO  78  -3.272  10.794  -4.438
  627   1HB   PRO  78          2HB       PRO  78  -2.778  12.689  -6.255
  628   2HB   PRO  78          1HB       PRO  78  -2.994  11.002  -6.728
  629   1HG   PRO  78          2HG       PRO  78  -4.844  13.300  -7.031
  630   2HG   PRO  78          1HG       PRO  78  -4.661  11.860  -8.046
  631   1HD   PRO  78          2HD       PRO  78  -6.617  12.314  -6.036
  632   2HD   PRO  78          1HD       PRO  78  -6.324  10.811  -6.931
  633    H    GLY  79           H        GLY  79  -5.960  12.682  -3.831
  634   1HA   GLY  79          2HA       GLY  79  -4.578  15.132  -3.098
  635   2HA   GLY  79          1HA       GLY  79  -6.297  14.812  -2.932
  636    H    ALA  80           H        ALA  80  -6.174  15.778  -0.812
  637    HA   ALA  80           HA       ALA  80  -5.344  13.856   1.207
  638   1HB   ALA  80          1HB       ALA  80  -4.090  15.506   2.497
  639   2HB   ALA  80          2HB       ALA  80  -4.330  16.694   1.216
  640   3HB   ALA  80          3HB       ALA  80  -3.367  15.249   0.909
  641    H    VAL  81           H        VAL  81  -7.526  13.583   1.813
  642    HA   VAL  81           HA       VAL  81  -8.505  15.779   3.467
  643    HB   VAL  81           HB       VAL  81 -10.234  14.417   1.426
  644   1HG1  VAL  81          1HG1      VAL  81 -11.423  14.664   3.575
  645   2HG1  VAL  81          2HG1      VAL  81 -12.083  15.717   2.323
  646   3HG1  VAL  81          3HG1      VAL  81 -11.034  16.384   3.575
  647   1HG2  VAL  81          1HG2      VAL  81 -10.495  16.619   0.534
  648   2HG2  VAL  81          2HG2      VAL  81  -8.768  16.278   0.708
  649   3HG2  VAL  81          3HG2      VAL  81  -9.588  17.314   1.878
  650    H    SER  82           H        SER  82 -10.213  12.799   2.586
  651    HA   SER  82           HA       SER  82 -10.817  12.455   5.387
  652   1HB   SER  82          2HB       SER  82 -11.854  11.060   2.915
  653   2HB   SER  82          1HB       SER  82 -12.481  10.800   4.538
  654    HG   SER  82           HG       SER  82 -13.303  12.822   4.568
  655    H    GLU  83           H        GLU  83  -9.717  11.102   6.684
  656    HA   GLU  83           HA       GLU  83  -7.650   9.452   5.679
  657   1HB   GLU  83          2HB       GLU  83  -8.874   9.461   8.437
  658   2HB   GLU  83          1HB       GLU  83  -7.336   8.736   7.997
  659   1HG   GLU  83          2HG       GLU  83  -6.657  10.708   8.922
  660   2HG   GLU  83          1HG       GLU  83  -6.738  11.145   7.219
  661    H    PHE  84           H        PHE  84  -8.168   7.734   4.465
  662    HA   PHE  84           HA       PHE  84  -9.735   5.618   5.788
  663   1HB   PHE  84          2HB       PHE  84  -9.499   6.421   2.931
  664   2HB   PHE  84          1HB       PHE  84  -9.689   4.706   3.294
  665    HD1  PHE  84           HD1      PHE  84 -11.719   3.895   4.399
  666    HD2  PHE  84           HD2      PHE  84 -11.269   7.978   3.300
  667    HE1  PHE  84           HE1      PHE  84 -14.136   4.241   4.707
  668    HE2  PHE  84           HE2      PHE  84 -13.682   8.329   3.595
  669    HZ   PHE  84           HZ       PHE  84 -15.120   6.464   4.313
  670    H    TYR  85           H        TYR  85  -8.809   3.380   4.496
  671    HA   TYR  85           HA       TYR  85  -5.932   3.493   4.561
  672   1HB   TYR  85          2HB       TYR  85  -5.560   2.047   6.420
  673   2HB   TYR  85          1HB       TYR  85  -6.543   3.407   6.951
  674    HD1  TYR  85           HD1      TYR  85  -9.113   3.004   6.965
  675    HD2  TYR  85           HD2      TYR  85  -6.210  -0.099   6.940
  676    HE1  TYR  85           HE1      TYR  85 -10.774   1.453   7.853
  677    HE2  TYR  85           HE2      TYR  85  -7.865  -1.663   7.833
  678    HH   TYR  85           HH       TYR  85  -9.953  -1.597   9.123
  679    H    ILE  86           H        ILE  86  -4.924   1.957   3.544
  680    HA   ILE  86           HA       ILE  86  -6.432  -0.390   2.531
  681    HB   ILE  86           HB       ILE  86  -4.083   1.164   1.411
  682   1HG1  ILE  86          2HG1      ILE  86  -5.488   1.054  -0.671
  683   2HG1  ILE  86          1HG1      ILE  86  -6.758   0.313   0.297
  684   1HG2  ILE  86          1HG2      ILE  86  -3.536  -1.250   1.387
  685   2HG2  ILE  86          2HG2      ILE  86  -3.673  -0.536  -0.219
  686   3HG2  ILE  86          3HG2      ILE  86  -4.982  -1.528   0.416
  687   1HD1  ILE  86          1HD1      ILE  86  -5.605   3.062   0.692
  688   2HD1  ILE  86          2HD1      ILE  86  -6.864   2.316   1.679
  689   3HD1  ILE  86          3HD1      ILE  86  -7.168   2.668  -0.022
  690    H    GLU  87           H        GLU  87  -5.975  -2.053   3.931
  691    HA   GLU  87           HA       GLU  87  -3.274  -2.165   5.076
  692   1HB   GLU  87          2HB       GLU  87  -5.165  -2.095   6.685
  693   2HB   GLU  87          1HB       GLU  87  -5.754  -3.616   6.023
  694   1HG   GLU  87          2HG       GLU  87  -3.761  -4.756   6.745
  695   2HG   GLU  87          1HG       GLU  87  -3.043  -3.238   7.278
  696    H    ILE  88           H        ILE  88  -1.928  -3.436   4.079
  697    HA   ILE  88           HA       ILE  88  -2.904  -5.997   2.982
  698    HB   ILE  88           HB       ILE  88  -0.502  -4.485   1.944
  699   1HG1  ILE  88          2HG1      ILE  88  -3.278  -4.485   0.739
  700   2HG1  ILE  88          1HG1      ILE  88  -2.586  -3.140   1.638
  701   1HG2  ILE  88          1HG2      ILE  88  -0.807  -5.934  -0.026
  702   2HG2  ILE  88          2HG2      ILE  88  -2.155  -6.730   0.786
  703   3HG2  ILE  88          3HG2      ILE  88  -0.527  -6.858   1.449
  704   1HD1  ILE  88          1HD1      ILE  88  -1.529  -4.272  -0.938
  705   2HD1  ILE  88          2HD1      ILE  88  -0.813  -2.938  -0.031
  706   3HD1  ILE  88          3HD1      ILE  88  -2.419  -2.762  -0.743
  707    H    THR  89           H        THR  89  -1.433  -7.759   3.185
  708    HA   THR  89           HA       THR  89   1.025  -7.313   4.658
  709    HB   THR  89           HB       THR  89  -0.778  -7.831   6.364
  710    HG1  THR  89           HG1      THR  89   1.613  -8.448   6.453
  711   1HG2  THR  89          1HG2      THR  89  -0.709 -10.535   5.026
  712   2HG2  THR  89          2HG2      THR  89  -2.080  -9.426   5.062
  713   3HG2  THR  89          3HG2      THR  89  -1.506 -10.169   6.555
  714    H    GLU  90           H        GLU  90   2.139  -9.582   4.826
  715    HA   GLU  90           HA       GLU  90   2.765 -10.535   2.335
  716   1HB   GLU  90          2HB       GLU  90   4.049 -10.969   4.378
  717   2HB   GLU  90          1HB       GLU  90   2.779 -12.035   4.957
  718   1HG   GLU  90          2HG       GLU  90   3.202 -13.511   3.018
  719   2HG   GLU  90          1HG       GLU  90   4.562 -12.472   2.574
  720    H    ILE  91           H        ILE  91   1.815 -11.744   0.898
  721    HA   ILE  91           HA       ILE  91  -0.904 -12.328   1.015
  722    HB   ILE  91           HB       ILE  91   0.228 -11.857  -1.068
  723   1HG1  ILE  91          2HG1      ILE  91  -0.871 -14.678  -1.054
  724   2HG1  ILE  91          1HG1      ILE  91  -1.820 -13.201  -1.196
  725   1HG2  ILE  91          1HG2      ILE  91   1.740 -13.482  -2.115
  726   2HG2  ILE  91          2HG2      ILE  91   1.673 -14.467  -0.655
  727   3HG2  ILE  91          3HG2      ILE  91   2.381 -12.853  -0.597
  728   1HD1  ILE  91          1HD1      ILE  91   0.226 -14.179  -3.176
  729   2HD1  ILE  91          2HD1      ILE  91  -0.736 -12.707  -3.321
  730   3HD1  ILE  91          3HD1      ILE  91  -1.526 -14.283  -3.350
  731    H    ASP  92           H        ASP  92  -2.056 -14.215   1.044
  732    HA   ASP  92           HA       ASP  92  -2.576 -16.440   1.177
  733   1HB   ASP  92          2HB       ASP  92  -0.049 -16.698   0.337
  734   2HB   ASP  92          1HB       ASP  92   0.121 -17.373   1.929
  735    H    LYS  93           H        LYS  93  -2.169 -18.329   2.774
  736    HA   LYS  93           HA       LYS  93  -1.882 -17.157   5.423
  737   1HB   LYS  93          2HB       LYS  93  -3.717 -19.297   4.431
  738   2HB   LYS  93          1HB       LYS  93  -3.225 -19.309   6.113
  739   1HG   LYS  93          2HG       LYS  93  -5.260 -18.204   6.149
  740   2HG   LYS  93          1HG       LYS  93  -4.086 -16.890   6.176
  741   1HD   LYS  93          2HD       LYS  93  -4.758 -17.607   3.465
  742   2HD   LYS  93          1HD       LYS  93  -6.212 -17.235   4.392
  743   1HE   LYS  93          2HE       LYS  93  -3.782 -15.482   4.060
  744   2HE   LYS  93          1HE       LYS  93  -5.370 -15.227   3.340
  745   1HZ   LYS  93          1HZ       LYS  93  -5.025 -13.839   5.285
  746   2HZ   LYS  93          2HZ       LYS  93  -4.769 -15.197   6.253
  747   3HZ   LYS  93          3HZ       LYS  93  -6.294 -14.926   5.551
  748    H    ASN  94           H        ASN  94  -0.007 -18.427   3.485
  749    HA   ASN  94           HA       ASN  94   0.881 -20.918   4.315
  750   1HB   ASN  94          2HB       ASN  94   1.691 -19.625   2.310
  751   2HB   ASN  94          1HB       ASN  94   2.682 -18.669   3.407
  752   1HD2  ASN  94          1HD2      ASN  94   2.220 -21.736   1.899
  753   2HD2  ASN  94          2HD2      ASN  94   3.757 -22.421   2.332
  754    H    ALA  95           H        ALA  95   1.716 -17.725   5.561
  755    HA   ALA  95           HA       ALA  95   3.158 -18.970   7.789
  756   1HB   ALA  95          1HB       ALA  95   4.319 -17.186   6.552
  757   2HB   ALA  95          2HB       ALA  95   4.051 -16.756   8.241
  758   3HB   ALA  95          3HB       ALA  95   3.027 -16.064   6.982
  759    H    ASP  96           H        ASP  96   0.241 -18.967   7.443
  760    HA   ASP  96           HA       ASP  96  -1.703 -18.614   8.536
  761   1HB   ASP  96          2HB       ASP  96  -0.125 -19.379  10.464
  762   2HB   ASP  96          1HB       ASP  96  -0.198 -17.700  10.973
  763    H    SER  97           H        SER  97  -2.497 -16.691  10.422
  764    HA   SER  97           HA       SER  97  -1.741 -14.131   9.290
  765   1HB   SER  97          2HB       SER  97  -4.543 -15.263   9.253
  766   2HB   SER  97          1HB       SER  97  -4.140 -13.593   8.909
  767    HG   SER  97           HG       SER  97  -2.558 -15.117   7.426
  768    H    LEU  98           H        LEU  98  -1.709 -15.667  11.908
  769    HA   LEU  98           HA       LEU  98  -3.261 -13.801  13.561
  770   1HB   LEU  98          2HB       LEU  98  -3.208 -16.520  13.646
  771   2HB   LEU  98          1HB       LEU  98  -1.975 -16.136  14.828
  772    HG   LEU  98           HG       LEU  98  -4.186 -16.501  15.848
  773   1HD1  LEU  98          1HD1      LEU  98  -4.229 -14.526  17.258
  774   2HD1  LEU  98          2HD1      LEU  98  -3.233 -13.652  16.093
  775   3HD1  LEU  98          3HD1      LEU  98  -2.568 -15.038  16.957
  776   1HD2  LEU  98          1HD2      LEU  98  -5.966 -14.859  15.527
  777   2HD2  LEU  98          2HD2      LEU  98  -5.575 -15.693  14.023
  778   3HD2  LEU  98          3HD2      LEU  98  -4.998 -14.050  14.294
  779    H    GLU  99           H        GLU  99  -2.260 -12.446  14.941
  780    HA   GLU  99           HA       GLU  99   0.510 -11.929  14.673
  781   1HB   GLU  99          2HB       GLU  99  -1.383 -10.953  16.823
  782   2HB   GLU  99          1HB       GLU  99   0.157 -10.229  16.383
  783   1HG   GLU  99          2HG       GLU  99  -0.715  -9.629  14.206
  784   2HG   GLU  99          1HG       GLU  99  -2.246 -10.423  14.580
  785    H    HIS 100           H        HIS 100   2.221 -12.549  15.908
  786    HA   HIS 100           HA       HIS 100   1.772 -14.667  17.838
  787   1HB   HIS 100          2HB       HIS 100   4.351 -13.440  16.827
  788   2HB   HIS 100          1HB       HIS 100   4.253 -14.819  17.914
  789    HD1  HIS 100           HD1      HIS 100   1.933 -16.305  16.352
  790    HD2  HIS 100           HD2      HIS 100   5.422 -14.772  14.675
  791    HE1  HIS 100           HE1      HIS 100   2.293 -17.600  14.226
  792    HE2  HIS 100           HE2      HIS 100   4.506 -16.788  13.331
  793    H    HIS 101           H        HIS 101   0.659 -13.345  19.373
  794    HA   HIS 101           HA       HIS 101   0.411 -11.995  21.179
  795   1HB   HIS 101          2HB       HIS 101   2.040 -13.789  21.979
  796   2HB   HIS 101          1HB       HIS 101   3.306 -12.583  21.781
  797    HD1  HIS 101           HD1      HIS 101   0.051 -13.041  23.676
  798    HD2  HIS 101           HD2      HIS 101   3.659 -10.990  23.965
  799    HE1  HIS 101           HE1      HIS 101   0.017 -11.925  25.929
  800    HE2  HIS 101           HE2      HIS 101   2.299 -10.889  26.169
  801    H    HIS 102           H        HIS 102   0.175 -10.144  19.828
  802    HA   HIS 102           HA       HIS 102   2.524  -8.630  19.093
  803   1HB   HIS 102          2HB       HIS 102   0.591  -8.888  17.561
  804   2HB   HIS 102          1HB       HIS 102  -0.397  -7.962  18.684
  805    HD1  HIS 102           HD1      HIS 102  -0.767  -5.738  17.695
  806    HD2  HIS 102           HD2      HIS 102   3.118  -7.079  17.070
  807    HE1  HIS 102           HE1      HIS 102   0.419  -3.857  16.510
  808    HE2  HIS 102           HE2      HIS 102   2.698  -4.787  15.940
  809    H    HIS 103           H        HIS 103   3.409  -7.875  20.973
  810    HA   HIS 103           HA       HIS 103   2.116  -6.402  22.969
  811   1HB   HIS 103          2HB       HIS 103   4.380  -7.254  23.256
  812   2HB   HIS 103          1HB       HIS 103   4.964  -6.244  21.942
  813    HD1  HIS 103           HD1      HIS 103   3.797  -6.055  25.518
  814    HD2  HIS 103           HD2      HIS 103   5.612  -3.648  22.648
  815    HE1  HIS 103           HE1      HIS 103   4.609  -4.019  26.752
  816    HE2  HIS 103           HE2      HIS 103   5.737  -2.590  25.006
  817    H    HIS 104           H        HIS 104   1.469  -4.312  23.121
  818    HA   HIS 104           HA       HIS 104   1.518  -2.755  20.651
  819   1HB   HIS 104          2HB       HIS 104  -0.108  -2.627  23.161
  820   2HB   HIS 104          1HB       HIS 104   0.001  -1.210  22.121
  821    HD1  HIS 104           HD1      HIS 104  -1.775  -4.378  22.512
  822    HD2  HIS 104           HD2      HIS 104  -0.964  -1.711  19.423
  823    HE1  HIS 104           HE1      HIS 104  -3.399  -4.942  20.679
  824    HE2  HIS 104           HE2      HIS 104  -2.731  -3.470  18.748
  825    H    HIS 105           H        HIS 105   2.631  -0.974  20.343
  826    HA   HIS 105           HA       HIS 105   3.826   0.447  22.587
  827   1HB   HIS 105          2HB       HIS 105   5.505  -1.263  21.894
  828   2HB   HIS 105          1HB       HIS 105   5.482  -0.587  20.269
  829    HD1  HIS 105           HD1      HIS 105   6.789   0.011  23.703
  830    HD2  HIS 105           HD2      HIS 105   6.801   1.894  19.995
  831    HE1  HIS 105           HE1      HIS 105   8.513   1.831  23.870
  832    HE2  HIS 105           HE2      HIS 105   8.364   3.074  21.689


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