NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
2593 | 1c54 | 4259 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 1H ASP 1 0.390 0.410 -0.100 2 2H ASP 1 2H ASP 1 1.230 -0.870 0.430 3 3H ASP 1 3H ASP 1 1.760 0.680 0.740 4 H VAL 2 H VAL 2 2.790 -0.600 -3.580 5 H SER 3 H SER 3 0.720 -4.670 -4.460 6 HG SER 3 HG SER 3 -1.820 -6.770 -2.310 7 H GLY 4 H GLY 4 3.330 -5.420 -4.390 8 H THR 5 H THR 5 6.300 -8.040 -6.340 9 HG1 THR 5 HG1 THR 5 8.710 -7.090 -8.180 10 H VAL 6 H VAL 6 4.850 -8.690 -10.620 11 H CYS 7 H CYS 7 4.810 -12.710 -10.790 12 H LEU 8 H LEU 8 6.510 -12.160 -15.040 13 H SER 9 H SER 9 5.600 -14.640 -15.990 14 HG SER 9 HG SER 9 5.260 -19.070 -16.430 15 H ALA 10 H ALA 10 3.450 -14.800 -14.490 16 H LEU 11 H LEU 11 1.780 -13.660 -15.630 17 H GLU 14 H GLU 14 -3.240 -11.980 -22.030 18 H ALA 15 H ALA 15 -1.640 -10.500 -20.960 19 H THR 16 H THR 16 0.700 -10.170 -21.340 20 HG1 THR 16 HG1 THR 16 4.720 -11.100 -22.330 21 H ASP 17 H ASP 17 0.130 -8.500 -23.420 22 H THR 18 H THR 18 -0.360 -5.530 -22.990 23 HG1 THR 18 HG1 THR 18 -1.920 -2.980 -21.340 24 H LEU 19 H LEU 19 2.440 -5.150 -21.660 25 H ASN 20 H ASN 20 3.760 -5.560 -24.190 26 1HD2 ASN 20 2HD2 ASN 20 4.110 -8.410 -27.100 27 2HD2 ASN 20 1HD2 ASN 20 5.630 -8.710 -27.930 28 H LEU 21 H LEU 21 2.880 -3.540 -25.500 29 H ILE 22 H ILE 22 3.950 -1.520 -24.010 30 H ALA 23 H ALA 23 6.490 -1.970 -24.510 31 H SER 24 H SER 24 6.750 -1.920 -27.130 32 HG SER 24 HG SER 24 6.930 -3.210 -31.300 33 H ASP 25 H ASP 25 6.690 0.700 -27.110 34 H GLY 26 H GLY 26 3.870 0.700 -28.100 35 H PHE 28 H PHE 28 -0.970 1.730 -30.250 36 H TYR 30 H TYR 30 -5.760 -1.690 -27.450 37 HH TYR 30 HH TYR 30 -11.510 -4.380 -23.020 38 H SER 31 H SER 31 -9.040 1.470 -26.460 39 HG SER 31 HG SER 31 -10.730 4.830 -27.730 40 H GLN 32 H GLN 32 -7.240 1.840 -24.610 41 1HE2 GLN 32 2HE2 GLN 32 -9.310 4.130 -20.170 42 2HE2 GLN 32 1HE2 GLN 32 -10.370 2.770 -19.850 43 H ASP 33 H ASP 33 -4.680 4.830 -23.460 44 H GLY 34 H GLY 34 -0.780 5.480 -22.960 45 H VAL 35 H VAL 35 -1.250 7.110 -21.580 46 H VAL 36 H VAL 36 -1.650 10.670 -19.070 47 H PHE 37 H PHE 37 0.070 8.950 -15.240 48 H GLN 38 H GLN 38 -1.930 11.010 -12.920 49 1HE2 GLN 38 2HE2 GLN 38 0.840 13.600 -7.720 50 2HE2 GLN 38 1HE2 GLN 38 -0.640 14.140 -6.960 51 H ASN 39 H ASN 39 -0.570 8.520 -10.720 52 1HD2 ASN 39 2HD2 ASN 39 0.580 7.690 -5.470 53 2HD2 ASN 39 1HD2 ASN 39 0.760 9.410 -5.280 54 H ARG 40 H ARG 40 -3.540 9.100 -9.790 55 HE ARG 40 HE ARG 40 -6.030 8.270 -13.050 56 1HH1 ARG 40 2HH2 ARG 40 -6.430 11.500 -11.830 57 2HH1 ARG 40 1HH2 ARG 40 -7.630 11.980 -12.980 58 1HH2 ARG 40 2HH1 ARG 40 -7.640 8.870 -14.600 59 2HH2 ARG 40 1HH1 ARG 40 -8.320 10.460 -14.540 60 H GLU 41 H GLU 41 -4.560 7.310 -7.870 61 H SER 42 H SER 42 -3.240 7.950 -5.750 62 HG SER 42 HG SER 42 -2.280 8.820 -1.010 63 H VAL 43 H VAL 43 -2.360 5.140 -5.190 64 H LEU 44 H LEU 44 -0.450 4.650 -5.530 65 H THR 46 H THR 46 3.470 6.190 -5.520 66 HG1 THR 46 HG1 THR 46 1.720 7.230 -8.030 67 H GLN 47 H GLN 47 4.860 9.950 -6.960 68 1HE2 GLN 47 2HE2 GLN 47 10.190 13.030 -3.880 69 2HE2 GLN 47 1HE2 GLN 47 11.000 11.970 -2.750 70 H SER 48 H SER 48 6.350 10.900 -8.090 71 HG SER 48 HG SER 48 8.740 11.440 -10.460 72 H TYR 49 H TYR 49 5.620 14.680 -10.330 73 HH TYR 49 HH TYR 49 -0.370 17.760 -15.530 74 H GLY 50 H GLY 50 2.590 12.770 -13.100 75 H TYR 51 H TYR 51 4.690 11.240 -12.810 76 HH TYR 51 HH TYR 51 11.040 5.780 -11.290 77 H TYR 52 H TYR 52 3.620 9.200 -14.710 78 HH TYR 52 HH TYR 52 3.420 5.160 -7.830 79 H HIS 53 H HIS 53 1.950 5.370 -15.610 80 HD1 HIS 53 HD1 HIS 53 4.470 6.760 -17.890 81 HE2 HIS 53 HE2 HIS 53 3.340 10.240 -19.570 82 H GLU 54 H GLU 54 -1.230 5.760 -18.610 83 H TYR 55 H TYR 55 -2.480 1.470 -18.460 84 HH TYR 55 HH TYR 55 2.290 5.610 -22.790 85 H THR 56 H THR 56 -4.780 0.750 -20.060 86 HG1 THR 56 HG1 THR 56 -8.170 -0.680 -18.760 87 H VAL 57 H VAL 57 -4.890 -3.680 -19.200 88 H ILE 58 H ILE 58 -4.970 -5.240 -23.280 89 H THR 59 H THR 59 -8.930 -7.730 -23.520 90 HG1 THR 59 HG1 THR 59 -8.000 -8.880 -19.060 91 H GLY 61 H GLY 61 -13.170 -12.280 -24.800 92 H ALA 62 H ALA 62 -13.360 -9.960 -23.200 93 H ARG 63 H ARG 63 -16.560 -9.000 -21.150 94 HE ARG 63 HE ARG 63 -21.200 -10.720 -21.730 95 1HH1 ARG 63 2HH2 ARG 63 -19.310 -11.760 -18.980 96 2HH1 ARG 63 1HH2 ARG 63 -19.990 -13.350 -18.930 97 1HH2 ARG 63 2HH1 ARG 63 -22.090 -12.830 -21.670 98 2HH2 ARG 63 1HH1 ARG 63 -21.550 -13.940 -20.450 99 H THR 64 H THR 64 -15.820 -6.110 -20.830 100 HG1 THR 64 HG1 THR 64 -16.210 -3.590 -18.090 101 H ARG 65 H ARG 65 -14.360 -2.110 -20.710 102 HE ARG 65 HE ARG 65 -12.400 2.420 -22.410 103 1HH1 ARG 65 2HH2 ARG 65 -12.560 0.960 -19.190 104 2HH1 ARG 65 1HH2 ARG 65 -13.960 1.870 -18.740 105 1HH2 ARG 65 2HH1 ARG 65 -14.220 3.540 -21.790 106 2HH2 ARG 65 1HH1 ARG 65 -14.890 3.330 -20.210 107 H GLY 66 H GLY 66 -13.580 -4.140 -19.100 108 H THR 67 H THR 67 -12.590 -5.460 -15.460 109 HG1 THR 67 HG1 THR 67 -11.730 -6.930 -12.650 110 H ARG 68 H ARG 68 -9.730 -5.790 -15.760 111 HE ARG 68 HE ARG 68 -9.060 -8.250 -18.020 112 1HH1 ARG 68 2HH2 ARG 68 -8.640 -9.780 -14.890 113 2HH1 ARG 68 1HH2 ARG 68 -10.330 -10.060 -14.670 114 1HH2 ARG 68 2HH1 ARG 68 -11.220 -8.720 -17.780 115 2HH2 ARG 68 1HH1 ARG 68 -11.780 -9.440 -16.310 116 H ARG 69 H ARG 69 -5.530 -4.080 -15.060 117 HE ARG 69 HE ARG 69 -6.020 2.780 -15.560 118 1HH1 ARG 69 2HH2 ARG 69 -8.240 1.730 -18.060 119 2HH1 ARG 69 1HH2 ARG 69 -9.140 3.200 -18.040 120 1HH2 ARG 69 2HH1 ARG 69 -7.210 4.730 -15.650 121 2HH2 ARG 69 1HH1 ARG 69 -8.520 4.910 -16.770 122 H ILE 70 H ILE 70 -3.390 -1.400 -17.410 123 H ILE 71 H ILE 71 -0.100 -0.820 -14.560 124 H THR 72 H THR 72 1.670 2.370 -16.440 125 HG1 THR 72 HG1 THR 72 3.210 2.640 -19.010 126 H GLY 73 H GLY 73 6.050 2.410 -15.220 127 H GLU 74 H GLU 74 7.810 6.230 -13.900 128 H ALA 75 H ALA 75 9.580 4.640 -14.590 129 H THR 76 H THR 76 12.310 2.530 -17.150 130 HG1 THR 76 HG1 THR 76 12.350 0.470 -20.070 131 H GLN 77 H GLN 77 9.870 -1.260 -16.390 132 1HE2 GLN 77 2HE2 GLN 77 14.750 -3.410 -16.540 133 2HE2 GLN 77 1HE2 GLN 77 15.110 -5.020 -15.960 134 H GLU 78 H GLU 78 8.060 -1.360 -14.680 135 H ASP 79 H ASP 79 5.960 -2.470 -13.730 136 H TYR 80 H TYR 80 2.460 -0.790 -12.940 137 HH TYR 80 HH TYR 80 5.670 1.580 -8.200 138 H TYR 81 H TYR 81 0.290 -4.550 -11.450 139 HH TYR 81 HH TYR 81 -5.000 -9.280 -16.370 140 H THR 82 H THR 82 -3.150 -3.080 -12.100 141 HG1 THR 82 HG1 THR 82 -7.350 -2.400 -10.690 142 H GLY 83 H GLY 83 -5.970 -4.770 -12.590 143 H ASP 84 H ASP 84 -7.630 -4.850 -10.730 144 H HIS 85 H HIS 85 -9.040 -3.640 -11.930 145 HD1 HIS 85 HD1 HIS 85 -12.580 0.590 -10.700 146 HE2 HIS 85 HE2 HIS 85 -12.630 1.680 -14.600 147 H TYR 86 H TYR 86 -7.820 -0.580 -11.670 148 HH TYR 86 HH TYR 86 -5.130 4.710 -14.340 149 H ALA 87 H ALA 87 -8.050 -1.930 -8.920 150 H THR 88 H THR 88 -6.500 -3.560 -7.640 151 HG1 THR 88 HG1 THR 88 -5.450 -6.640 -7.540 152 H PHE 89 H PHE 89 -2.360 -4.230 -6.330 153 H SER 90 H SER 90 -0.270 -4.760 -9.510 154 HG SER 90 HG SER 90 -0.650 -8.230 -7.680 155 H LEU 91 H LEU 91 3.660 -4.710 -8.570 156 H ILE 92 H ILE 92 5.460 -4.960 -12.960 157 H ASP 93 H ASP 93 6.380 -9.230 -13.040 158 H GLN 94 H GLN 94 9.340 -8.310 -15.650 159 1HE2 GLN 94 2HE2 GLN 94 9.020 -6.030 -15.950 160 2HE2 GLN 94 1HE2 GLN 94 10.530 -5.180 -16.150 161 H THR 95 H THR 95 11.470 -10.060 -15.710 162 HG1 THR 95 HG1 THR 95 14.660 -12.350 -13.500 163 H CYS 96 H CYS 96 10.090 -12.120 -14.370 Start of MODEL 2 1 1H ASP 1 1H ASP 1 1.910 0.110 0.810 2 2H ASP 1 2H ASP 1 0.570 0.630 0.060 3 3H ASP 1 3H ASP 1 0.870 -0.990 0.210 4 H VAL 2 H VAL 2 2.990 0.750 -3.450 5 H SER 3 H SER 3 2.650 5.340 -3.280 6 HG SER 3 HG SER 3 0.710 8.490 -0.800 7 H GLY 4 H GLY 4 0.840 4.980 -5.180 8 H THR 5 H THR 5 -1.100 6.670 -8.770 9 HG1 THR 5 HG1 THR 5 -0.890 4.750 -11.620 10 H VAL 6 H VAL 6 2.320 8.350 -11.240 11 H CYS 7 H CYS 7 0.540 11.890 -12.180 12 H LEU 8 H LEU 8 2.510 11.460 -16.370 13 H SER 9 H SER 9 2.520 14.200 -16.860 14 HG SER 9 HG SER 9 0.960 18.300 -17.710 15 H ALA 10 H ALA 10 2.860 15.010 -14.350 16 H LEU 11 H LEU 11 5.090 14.720 -13.760 17 H GLU 14 H GLU 14 13.360 16.910 -15.920 18 H ALA 15 H ALA 15 12.170 14.560 -15.620 19 H THR 16 H THR 16 10.800 12.730 -17.220 20 HG1 THR 16 HG1 THR 16 8.760 11.030 -20.540 21 H ASP 17 H ASP 17 13.510 12.180 -18.080 22 H THR 18 H THR 18 15.130 9.930 -16.770 23 HG1 THR 18 HG1 THR 18 16.880 8.480 -14.170 24 H LEU 19 H LEU 19 13.000 8.060 -17.250 25 H ASN 20 H ASN 20 13.420 7.970 -20.060 26 1HD2 ASN 20 2HD2 ASN 20 13.810 10.590 -23.230 27 2HD2 ASN 20 1HD2 ASN 20 13.170 10.200 -24.810 28 H LEU 21 H LEU 21 15.730 6.660 -20.210 29 H ILE 22 H ILE 22 14.960 4.230 -19.230 30 H ALA 23 H ALA 23 13.240 3.520 -21.230 31 H SER 24 H SER 24 14.650 3.670 -23.500 32 HG SER 24 HG SER 24 18.250 4.740 -25.730 33 H ASP 25 H ASP 25 15.830 1.420 -22.830 34 H GLY 26 H GLY 26 18.290 2.340 -22.260 35 H PHE 28 H PHE 28 23.230 3.350 -20.430 36 H TYR 30 H TYR 30 23.350 8.300 -16.220 37 HH TYR 30 HH TYR 30 23.060 13.590 -10.970 38 H SER 31 H SER 31 26.220 6.720 -12.960 39 HG SER 31 HG SER 31 28.340 3.340 -10.950 40 H GLN 32 H GLN 32 23.820 5.640 -12.300 41 1HE2 GLN 32 2HE2 GLN 32 21.950 5.310 -6.600 42 2HE2 GLN 32 1HE2 GLN 32 22.010 7.060 -6.520 43 H ASP 33 H ASP 33 22.940 2.040 -12.530 44 H GLY 34 H GLY 34 20.090 -0.540 -14.270 45 H VAL 35 H VAL 35 20.210 -1.810 -12.430 46 H VAL 36 H VAL 36 20.050 -5.120 -9.580 47 H PHE 37 H PHE 37 15.740 -4.700 -8.270 48 H GLN 38 H GLN 38 16.320 -5.940 -4.700 49 1HE2 GLN 38 2HE2 GLN 38 12.490 -10.820 -2.760 50 2HE2 GLN 38 1HE2 GLN 38 12.770 -10.720 -1.040 51 H ASN 39 H ASN 39 12.930 -4.780 -4.640 52 1HD2 ASN 39 2HD2 ASN 39 8.260 -5.330 -1.930 53 2HD2 ASN 39 1HD2 ASN 39 8.770 -6.930 -1.500 54 H ARG 40 H ARG 40 14.310 -3.840 -1.860 55 HE ARG 40 HE ARG 40 18.650 -4.120 -2.800 56 1HH1 ARG 40 2HH2 ARG 40 17.050 -1.650 -0.830 57 2HH1 ARG 40 1HH2 ARG 40 18.500 -0.700 -0.720 58 1HH2 ARG 40 2HH1 ARG 40 20.460 -2.860 -2.570 59 2HH2 ARG 40 1HH1 ARG 40 20.380 -1.380 -1.680 60 H GLU 41 H GLU 41 12.820 -2.070 -0.180 61 H SER 42 H SER 42 10.830 -3.670 0.480 62 HG SER 42 HG SER 42 7.390 -5.860 3.140 63 H VAL 43 H VAL 43 8.610 -1.750 -0.360 64 H LEU 44 H LEU 44 7.450 -2.210 -1.970 65 H THR 46 H THR 46 5.760 -5.380 -4.180 66 HG1 THR 46 HG1 THR 46 8.980 -5.170 -4.470 67 H GLN 47 H GLN 47 7.510 -9.110 -5.400 68 1HE2 GLN 47 2HE2 GLN 47 5.750 -14.530 -6.610 69 2HE2 GLN 47 1HE2 GLN 47 6.040 -14.320 -8.320 70 H SER 48 H SER 48 7.680 -10.430 -7.160 71 HG SER 48 HG SER 48 8.110 -11.400 -10.330 72 H TYR 49 H TYR 49 11.290 -13.050 -7.520 73 HH TYR 49 HH TYR 49 19.200 -10.380 -5.760 74 H GLY 50 H GLY 50 14.290 -9.650 -7.790 75 H TYR 51 H TYR 51 12.130 -9.080 -9.230 76 HH TYR 51 HH TYR 51 4.950 -7.380 -13.420 77 H TYR 52 H TYR 52 13.220 -6.510 -10.160 78 HH TYR 52 HH TYR 52 6.920 -4.110 -6.050 79 H HIS 53 H HIS 53 13.310 -2.350 -10.770 80 HD1 HIS 53 HD1 HIS 53 13.890 -4.340 -13.580 81 HE2 HIS 53 HE2 HIS 53 17.110 -6.750 -13.350 82 H GLU 54 H GLU 54 17.490 -0.910 -10.560 83 H TYR 55 H TYR 55 16.420 3.420 -10.530 84 HH TYR 55 HH TYR 55 18.090 -1.700 -15.990 85 H THR 56 H THR 56 18.840 5.340 -10.430 86 HG1 THR 56 HG1 THR 56 19.790 7.500 -7.660 87 H VAL 57 H VAL 57 16.290 9.060 -10.470 88 H ILE 58 H ILE 58 18.330 11.220 -13.650 89 H THR 59 H THR 59 19.290 15.300 -11.650 90 HG1 THR 59 HG1 THR 59 15.580 14.720 -9.260 91 H GLY 61 H GLY 61 20.230 21.570 -11.120 92 H ALA 62 H ALA 62 20.700 19.440 -9.390 93 H ARG 63 H ARG 63 22.280 19.690 -5.810 94 HE ARG 63 HE ARG 63 25.020 21.440 -1.930 95 1HH1 ARG 63 2HH2 ARG 63 22.370 23.610 -2.630 96 2HH1 ARG 63 1HH2 ARG 63 22.470 24.450 -1.120 97 1HH2 ARG 63 2HH1 ARG 63 25.140 22.570 0.080 98 2HH2 ARG 63 1HH1 ARG 63 24.020 23.860 0.390 99 H THR 64 H THR 64 23.160 16.790 -5.730 100 HG1 THR 64 HG1 THR 64 23.530 14.510 -2.950 101 H ARG 65 H ARG 65 24.100 12.690 -6.110 102 HE ARG 65 HE ARG 65 25.660 10.280 -7.430 103 1HH1 ARG 65 2HH2 ARG 65 25.000 6.930 -6.560 104 2HH1 ARG 65 1HH2 ARG 65 26.480 6.740 -5.670 105 1HH2 ARG 65 2HH1 ARG 65 27.550 10.010 -6.280 106 2HH2 ARG 65 1HH1 ARG 65 27.930 8.500 -5.530 107 H GLY 66 H GLY 66 21.720 13.730 -5.320 108 H THR 67 H THR 67 17.640 13.930 -3.670 109 HG1 THR 67 HG1 THR 67 14.980 14.300 -2.020 110 H ARG 68 H ARG 68 16.740 12.620 -5.790 111 HE ARG 68 HE ARG 68 13.340 15.220 -8.810 112 1HH1 ARG 68 2HH2 ARG 68 11.500 14.760 -5.850 113 2HH1 ARG 68 1HH2 ARG 68 10.290 15.920 -6.300 114 1HH2 ARG 68 2HH1 ARG 68 11.770 16.740 -9.330 115 2HH2 ARG 68 1HH1 ARG 68 10.470 17.050 -8.230 116 H ARG 69 H ARG 69 14.020 9.260 -6.820 117 HE ARG 69 HE ARG 69 17.010 3.260 -5.880 118 1HH1 ARG 69 2HH2 ARG 69 19.780 5.370 -6.390 119 2HH1 ARG 69 1HH2 ARG 69 20.830 4.320 -5.480 120 1HH2 ARG 69 2HH1 ARG 69 18.490 1.930 -4.810 121 2HH2 ARG 69 1HH1 ARG 69 20.150 2.390 -4.690 122 H ILE 70 H ILE 70 15.220 6.320 -9.690 123 H ILE 71 H ILE 71 11.480 4.080 -9.620 124 H THR 72 H THR 72 12.940 0.660 -11.550 125 HG1 THR 72 HG1 THR 72 13.800 0.200 -14.370 126 H GLY 73 H GLY 73 9.390 -1.300 -13.570 127 H GLU 74 H GLU 74 8.930 -5.670 -13.110 128 H ALA 75 H ALA 75 7.730 -4.650 -15.170 129 H THR 76 H THR 76 7.280 -3.390 -19.270 130 HG1 THR 76 HG1 THR 76 9.220 -1.360 -21.570 131 H GLN 77 H GLN 77 7.150 1.090 -18.250 132 1HE2 GLN 77 2HE2 GLN 77 4.760 2.420 -22.160 133 2HE2 GLN 77 1HE2 GLN 77 3.300 3.310 -22.490 134 H GLU 78 H GLU 78 6.840 0.770 -15.880 135 H ASP 79 H ASP 79 6.670 3.030 -13.830 136 H TYR 80 H TYR 80 9.110 2.950 -10.280 137 HH TYR 80 HH TYR 80 4.630 -1.600 -9.090 138 H TYR 81 H TYR 81 7.470 6.680 -8.450 139 HH TYR 81 HH TYR 81 13.100 12.990 -9.560 140 H THR 82 H THR 82 11.210 7.880 -6.590 141 HG1 THR 82 HG1 THR 82 13.470 8.210 -3.170 142 H GLY 83 H GLY 83 12.370 10.130 -5.410 143 H ASP 84 H ASP 84 12.120 10.480 -2.770 144 H HIS 85 H HIS 85 14.260 10.110 -2.550 145 HD1 HIS 85 HD1 HIS 85 17.940 7.590 0.940 146 HE2 HIS 85 HE2 HIS 85 20.550 7.380 -2.140 147 H TYR 86 H TYR 86 14.260 6.780 -2.490 148 HH TYR 86 HH TYR 86 16.050 0.960 -5.040 149 H ALA 87 H ALA 87 12.230 7.710 -0.510 150 H THR 88 H THR 88 10.190 7.150 -1.110 151 HG1 THR 88 HG1 THR 88 8.560 10.470 -1.940 152 H PHE 89 H PHE 89 6.240 6.700 -2.800 153 H SER 90 H SER 90 6.630 6.990 -6.520 154 HG SER 90 HG SER 90 4.500 9.930 -5.620 155 H LEU 91 H LEU 91 3.550 5.020 -8.350 156 H ILE 92 H ILE 92 5.180 5.270 -12.780 157 H ASP 93 H ASP 93 2.980 8.840 -14.320 158 H GLN 94 H GLN 94 3.050 7.010 -17.810 159 1HE2 GLN 94 2HE2 GLN 94 6.660 4.780 -19.760 160 2HE2 GLN 94 1HE2 GLN 94 5.500 3.480 -19.560 161 H THR 95 H THR 95 1.160 7.410 -19.690 162 HG1 THR 95 HG1 THR 95 -3.210 7.400 -20.800 163 H CYS 96 H CYS 96 0.010 9.720 -18.460 Start of MODEL 3 1 1H ASP 1 1H ASP 1 1.760 -0.470 0.700 2 2H ASP 1 2H ASP 1 1.020 0.910 0.310 3 3H ASP 1 3H ASP 1 0.360 -0.550 -0.130 4 H VAL 2 H VAL 2 3.930 0.440 -2.890 5 H SER 3 H SER 3 5.260 4.620 -1.620 6 HG SER 3 HG SER 3 3.640 7.900 -0.490 7 H GLY 4 H GLY 4 6.060 4.600 -4.180 8 H THR 5 H THR 5 8.230 5.090 -7.840 9 HG1 THR 5 HG1 THR 5 9.940 2.950 -9.340 10 H VAL 6 H VAL 6 12.510 5.830 -6.350 11 H CYS 7 H CYS 7 13.480 9.170 -8.370 12 H LEU 8 H LEU 8 17.760 7.410 -8.910 13 H SER 9 H SER 9 18.980 9.890 -9.040 14 HG SER 9 HG SER 9 20.410 13.790 -10.730 15 H ALA 10 H ALA 10 17.480 11.060 -7.220 16 H LEU 11 H LEU 11 17.810 10.790 -4.990 17 H GLU 14 H GLU 14 24.030 11.270 0.480 18 H ALA 15 H ALA 15 22.850 9.270 -0.400 19 H THR 16 H THR 16 23.080 7.440 -2.120 20 HG1 THR 16 HG1 THR 16 24.330 5.360 -5.630 21 H ASP 17 H ASP 17 24.610 6.110 -0.200 22 H THR 18 H THR 18 23.520 4.040 1.740 23 HG1 THR 18 HG1 THR 18 21.330 2.960 4.190 24 H LEU 19 H LEU 19 22.400 2.320 -0.530 25 H ASN 20 H ASN 20 25.050 1.630 -1.450 26 1HD2 ASN 20 2HD2 ASN 20 28.650 3.380 -2.600 27 2HD2 ASN 20 1HD2 ASN 20 29.680 2.650 -3.810 28 H LEU 21 H LEU 21 25.800 0.190 0.610 29 H ILE 22 H ILE 22 24.060 -1.880 0.430 30 H ALA 23 H ALA 23 24.890 -2.900 -1.880 31 H SER 24 H SER 24 27.480 -3.400 -1.560 32 HG SER 24 HG SER 24 31.820 -2.880 -1.390 33 H ASP 25 H ASP 25 26.930 -5.580 -0.240 34 H GLY 26 H GLY 26 27.550 -4.330 2.400 35 H PHE 28 H PHE 28 28.960 -3.180 7.490 36 H TYR 30 H TYR 30 26.520 2.460 9.540 37 HH TYR 30 HH TYR 30 22.900 8.690 11.500 38 H SER 31 H SER 31 24.450 1.540 13.600 39 HG SER 31 HG SER 31 23.540 -1.570 16.720 40 H GLN 32 H GLN 32 22.740 0.680 11.930 41 1HE2 GLN 32 2HE2 GLN 32 18.650 2.830 11.250 42 2HE2 GLN 32 1HE2 GLN 32 18.340 3.830 12.680 43 H ASP 33 H ASP 33 21.380 -2.870 10.970 44 H GLY 34 H GLY 34 20.910 -5.250 7.730 45 H VAL 35 H VAL 35 19.270 -6.050 8.860 46 H VAL 36 H VAL 36 16.040 -8.720 10.250 47 H PHE 37 H PHE 37 12.880 -7.850 7.090 48 H GLN 38 H GLN 38 9.980 -8.260 9.190 49 1HE2 GLN 38 2HE2 GLN 38 5.350 -11.800 6.530 50 2HE2 GLN 38 1HE2 GLN 38 4.110 -11.890 7.740 51 H ASN 39 H ASN 39 8.480 -6.580 6.400 52 1HD2 ASN 39 2HD2 ASN 39 3.940 -5.820 3.670 53 2HD2 ASN 39 1HD2 ASN 39 3.570 -4.150 3.520 54 H ARG 40 H ARG 40 7.390 -5.280 8.970 55 HE ARG 40 HE ARG 40 10.510 -4.830 12.330 56 1HH1 ARG 40 2HH2 ARG 40 9.090 -7.910 11.590 57 2HH1 ARG 40 1HH2 ARG 40 10.080 -8.830 12.680 58 1HH2 ARG 40 2HH1 ARG 40 11.760 -6.000 13.860 59 2HH2 ARG 40 1HH1 ARG 40 11.560 -7.710 13.990 60 H GLU 41 H GLU 41 5.880 -2.940 8.850 61 H SER 42 H SER 42 3.780 -3.930 7.670 62 HG SER 42 HG SER 42 -0.900 -4.670 6.390 63 H VAL 43 H VAL 43 3.900 -2.040 5.330 64 H LEU 44 H LEU 44 4.590 -2.500 3.550 65 H THR 46 H THR 46 3.450 -5.810 0.530 66 HG1 THR 46 HG1 THR 46 7.250 -6.580 -0.990 67 H GLN 47 H GLN 47 5.390 -9.090 1.770 68 1HE2 GLN 47 2HE2 GLN 47 1.490 -10.740 6.590 69 2HE2 GLN 47 1HE2 GLN 47 -0.230 -10.880 6.350 70 H SER 48 H SER 48 5.490 -11.120 1.740 71 HG SER 48 HG SER 48 8.580 -11.530 0.360 72 H TYR 49 H TYR 49 7.910 -14.080 4.330 73 HH TYR 49 HH TYR 49 10.730 -14.460 12.560 74 H GLY 50 H GLY 50 10.950 -11.580 6.280 75 H TYR 51 H TYR 51 11.250 -12.290 3.520 76 HH TYR 51 HH TYR 51 12.190 -14.390 -3.980 77 H TYR 52 H TYR 52 12.230 -9.760 4.060 78 HH TYR 52 HH TYR 52 6.800 -5.300 0.880 79 H HIS 53 H HIS 53 14.080 -5.760 3.940 80 HD1 HIS 53 HD1 HIS 53 16.350 -8.650 2.970 81 HE2 HIS 53 HE2 HIS 53 17.260 -11.050 6.060 82 H GLU 54 H GLU 54 16.690 -4.850 7.310 83 H TYR 55 H TYR 55 17.390 -0.690 6.010 84 HH TYR 55 HH TYR 55 21.040 -7.250 5.150 85 H THR 56 H THR 56 19.190 0.920 8.240 86 HG1 THR 56 HG1 THR 56 17.880 3.600 10.150 87 H VAL 57 H VAL 57 19.030 5.060 6.240 88 H ILE 58 H ILE 58 23.120 5.670 6.160 89 H THR 59 H THR 59 23.290 9.970 7.920 90 HG1 THR 59 HG1 THR 59 19.520 10.710 5.630 91 H GLY 61 H GLY 61 25.320 15.930 9.060 92 H ALA 62 H ALA 62 23.370 14.330 10.220 93 H ARG 63 H ARG 63 21.120 15.380 13.260 94 HE ARG 63 HE ARG 63 22.240 18.780 14.990 95 1HH1 ARG 63 2HH2 ARG 63 18.820 19.450 14.830 96 2HH1 ARG 63 1HH2 ARG 63 19.010 20.990 14.070 97 1HH2 ARG 63 2HH1 ARG 63 22.490 20.830 13.990 98 2HH2 ARG 63 1HH1 ARG 63 21.080 21.750 13.600 99 H THR 64 H THR 64 20.500 12.550 14.090 100 HG1 THR 64 HG1 THR 64 17.550 10.830 15.690 101 H ARG 65 H ARG 65 19.860 8.460 14.830 102 HE ARG 65 HE ARG 65 20.600 5.070 16.080 103 1HH1 ARG 65 2HH2 ARG 65 22.690 4.130 13.440 104 2HH1 ARG 65 1HH2 ARG 65 24.170 4.410 14.310 105 1HH2 ARG 65 2HH1 ARG 65 22.520 5.460 17.210 106 2HH2 ARG 65 1HH1 ARG 65 24.050 5.170 16.450 107 H GLY 66 H GLY 66 18.510 9.990 13.090 108 H THR 67 H THR 67 15.160 11.090 10.500 109 HG1 THR 67 HG1 THR 67 12.730 12.250 9.000 110 H ARG 68 H ARG 68 16.090 9.530 8.550 111 HE ARG 68 HE ARG 68 17.730 11.410 4.060 112 1HH1 ARG 68 2HH2 ARG 68 14.280 12.050 4.140 113 2HH1 ARG 68 1HH2 ARG 68 14.320 13.150 2.790 114 1HH2 ARG 68 2HH1 ARG 68 17.750 12.880 2.290 115 2HH2 ARG 68 1HH1 ARG 68 16.270 13.590 1.760 116 H ARG 69 H ARG 69 14.970 6.330 5.600 117 HE ARG 69 HE ARG 69 13.990 0.480 8.660 118 1HH1 ARG 69 2HH2 ARG 69 16.570 1.890 10.630 119 2HH1 ARG 69 1HH2 ARG 69 16.150 0.950 12.030 120 1HH2 ARG 69 2HH1 ARG 69 13.590 -0.720 10.450 121 2HH2 ARG 69 1HH1 ARG 69 14.500 -0.560 11.930 122 H ILE 70 H ILE 70 16.610 2.340 5.590 123 H ILE 71 H ILE 71 14.370 0.710 2.300 124 H THR 72 H THR 72 15.770 -3.130 2.680 125 HG1 THR 72 HG1 THR 72 18.420 -4.360 2.070 126 H GLY 73 H GLY 73 15.250 -5.210 -1.310 127 H GLU 74 H GLU 74 13.630 -9.310 -0.710 128 H ALA 75 H ALA 75 14.270 -8.780 -3.330 129 H THR 76 H THR 76 17.170 -8.580 -6.580 130 HG1 THR 76 HG1 THR 76 20.670 -7.480 -6.960 131 H GLN 77 H GLN 77 17.500 -4.060 -6.040 132 1HE2 GLN 77 2HE2 GLN 77 19.030 -2.610 -9.880 133 2HE2 GLN 77 1HE2 GLN 77 18.740 -1.830 -11.420 134 H GLU 78 H GLU 78 15.610 -3.740 -4.720 135 H ASP 79 H ASP 79 14.660 -1.070 -3.930 136 H TYR 80 H TYR 80 13.300 -0.350 -0.120 137 HH TYR 80 HH TYR 80 8.810 -3.740 -3.160 138 H TYR 81 H TYR 81 11.990 3.980 -0.470 139 HH TYR 81 HH TYR 81 16.990 10.280 2.580 140 H THR 82 H THR 82 12.790 5.180 3.630 141 HG1 THR 82 HG1 THR 82 11.170 6.080 7.330 142 H GLY 83 H GLY 83 12.980 7.460 5.170 143 H ASP 84 H ASP 84 10.820 8.510 6.270 144 H HIS 85 H HIS 85 11.570 7.950 8.180 145 HD1 HIS 85 HD1 HIS 85 9.850 6.020 13.220 146 HE2 HIS 85 HE2 HIS 85 13.650 4.860 13.970 147 H TYR 86 H TYR 86 10.620 4.840 8.300 148 HH TYR 86 HH TYR 86 12.310 -1.420 10.710 149 H ALA 87 H ALA 87 8.300 6.550 7.730 150 H THR 88 H THR 88 7.590 6.050 5.640 151 HG1 THR 88 HG1 THR 88 8.300 9.150 3.570 152 H PHE 89 H PHE 89 6.900 5.660 1.390 153 H SER 90 H SER 90 10.230 5.100 -0.070 154 HG SER 90 HG SER 90 9.430 8.440 -1.470 155 H LEU 91 H LEU 91 9.680 3.250 -3.780 156 H ILE 92 H ILE 92 14.130 2.010 -4.800 157 H ASP 93 H ASP 93 14.900 5.300 -7.460 158 H GLN 94 H GLN 94 17.370 2.630 -9.100 159 1HE2 GLN 94 2HE2 GLN 94 20.590 -0.250 -7.220 160 2HE2 GLN 94 1HE2 GLN 94 19.360 -1.410 -7.670 161 H THR 95 H THR 95 17.820 2.820 -11.660 162 HG1 THR 95 HG1 THR 95 16.480 2.890 -15.940 163 H CYS 96 H CYS 96 17.570 5.560 -12.040 Start of MODEL 4 1 1H ASP 1 1H ASP 1 1.340 -0.910 0.420 2 2H ASP 1 2H ASP 1 1.610 0.680 0.660 3 3H ASP 1 3H ASP 1 0.270 0.180 -0.170 4 H VAL 2 H VAL 2 4.010 -0.150 -2.830 5 H SER 3 H SER 3 7.380 0.720 0.120 6 HG SER 3 HG SER 3 7.300 2.040 3.900 7 H GLY 4 H GLY 4 8.100 2.520 -1.700 8 H THR 5 H THR 5 10.950 4.630 -4.120 9 HG1 THR 5 HG1 THR 5 11.230 4.370 -7.280 10 H VAL 6 H VAL 6 14.350 1.660 -4.830 11 H CYS 7 H CYS 7 17.420 3.890 -3.490 12 H LEU 8 H LEU 8 19.750 2.160 -7.040 13 H SER 9 H SER 9 22.250 2.610 -6.030 14 HG SER 9 HG SER 9 25.820 4.790 -4.380 15 H ALA 10 H ALA 10 21.580 2.260 -3.500 16 H LEU 11 H LEU 11 21.590 -0.010 -3.120 17 H GLU 14 H GLU 14 25.110 -7.440 -2.840 18 H ALA 15 H ALA 15 23.280 -6.720 -4.110 19 H THR 16 H THR 16 22.830 -5.850 -6.540 20 HG1 THR 16 HG1 THR 16 23.560 -4.090 -10.370 21 H ASP 17 H ASP 17 22.880 -8.550 -7.290 22 H THR 18 H THR 18 20.440 -10.290 -7.350 23 HG1 THR 18 HG1 THR 18 17.540 -11.810 -5.980 24 H LEU 19 H LEU 19 18.910 -8.370 -9.150 25 H ASN 20 H ASN 20 20.680 -8.990 -11.350 26 1HD2 ASN 20 2HD2 ASN 20 24.730 -9.040 -12.330 27 2HD2 ASN 20 1HD2 ASN 20 25.310 -8.640 -13.940 28 H LEU 21 H LEU 21 20.030 -11.460 -11.820 29 H ILE 22 H ILE 22 17.520 -11.070 -12.640 30 H ALA 23 H ALA 23 17.900 -9.760 -14.890 31 H SER 24 H SER 24 19.510 -11.300 -16.290 32 HG SER 24 HG SER 24 23.150 -13.100 -17.850 33 H ASP 25 H ASP 25 17.490 -12.810 -16.990 34 H GLY 26 H GLY 26 18.290 -14.950 -15.070 35 H PHE 28 H PHE 28 19.170 -19.500 -12.340 36 H TYR 30 H TYR 30 20.470 -18.450 -6.010 37 HH TYR 30 HH TYR 30 20.710 -17.200 1.490 38 H SER 31 H SER 31 17.850 -21.660 -3.880 39 HG SER 31 HG SER 31 15.590 -25.290 -4.640 40 H GLN 32 H GLN 32 16.170 -19.690 -4.530 41 1HE2 GLN 32 2HE2 GLN 32 15.580 -17.750 -1.210 42 2HE2 GLN 32 1HE2 GLN 32 14.840 -17.010 0.180 43 H ASP 33 H ASP 33 13.040 -19.310 -6.860 44 H GLY 34 H GLY 34 11.690 -16.920 -9.760 45 H VAL 35 H VAL 35 9.900 -17.730 -8.930 46 H VAL 36 H VAL 36 5.470 -18.290 -8.930 47 H PHE 37 H PHE 37 4.020 -14.020 -8.280 48 H GLN 38 H GLN 38 1.290 -14.920 -5.900 49 1HE2 GLN 38 2HE2 GLN 38 -4.940 -14.170 -7.140 50 2HE2 GLN 38 1HE2 GLN 38 -5.550 -14.140 -5.500 51 H ASN 39 H ASN 39 1.430 -11.380 -5.580 52 1HD2 ASN 39 2HD2 ASN 39 -0.990 -6.810 -4.530 53 2HD2 ASN 39 1HD2 ASN 39 -0.080 -5.930 -3.370 54 H ARG 40 H ARG 40 0.940 -12.650 -2.720 55 HE ARG 40 HE ARG 40 2.380 -16.690 -3.670 56 1HH1 ARG 40 2HH2 ARG 40 2.660 -15.650 -0.310 57 2HH1 ARG 40 1HH2 ARG 40 3.450 -17.110 0.190 58 1HH2 ARG 40 2HH1 ARG 40 3.350 -18.570 -2.970 59 2HH2 ARG 40 1HH1 ARG 40 3.820 -18.760 -1.320 60 H GLU 41 H GLU 41 1.120 -10.950 -0.570 61 H SER 42 H SER 42 -0.640 -9.330 -0.990 62 HG SER 42 HG SER 42 -4.560 -6.460 -0.230 63 H VAL 43 H VAL 43 0.990 -6.820 -0.750 64 H LEU 44 H LEU 44 1.530 -5.670 -2.250 65 H THR 46 H THR 46 -0.670 -3.590 -5.510 66 HG1 THR 46 HG1 THR 46 1.660 -4.210 -8.950 67 H GLN 47 H GLN 47 -1.590 -6.560 -7.920 68 1HE2 GLN 47 2HE2 GLN 47 -6.200 -8.890 -4.210 69 2HE2 GLN 47 1HE2 GLN 47 -7.640 -7.980 -3.810 70 H SER 48 H SER 48 -2.940 -7.200 -9.340 71 HG SER 48 HG SER 48 -1.010 -7.550 -12.140 72 H TYR 49 H TYR 49 -3.360 -11.380 -11.280 73 HH TYR 49 HH TYR 49 -2.030 -19.700 -9.300 74 H GLY 50 H GLY 50 0.350 -13.590 -10.180 75 H TYR 51 H TYR 51 0.480 -11.440 -11.980 76 HH TYR 51 HH TYR 51 0.620 -5.560 -17.390 77 H TYR 52 H TYR 52 2.870 -11.610 -10.760 78 HH TYR 52 HH TYR 52 1.910 -5.180 -6.630 79 H HIS 53 H HIS 53 6.740 -11.130 -8.760 80 HD1 HIS 53 HD1 HIS 53 6.850 -12.190 -12.650 81 HE2 HIS 53 HE2 HIS 53 5.730 -16.020 -13.160 82 H GLU 54 H GLU 54 8.870 -14.820 -7.990 83 H TYR 55 H TYR 55 12.080 -12.820 -5.710 84 HH TYR 55 HH TYR 55 11.500 -15.330 -12.900 85 H THR 56 H THR 56 13.880 -14.810 -4.400 86 HG1 THR 56 HG1 THR 56 14.040 -15.850 -1.140 87 H VAL 57 H VAL 57 16.570 -11.770 -2.450 88 H ILE 58 H ILE 58 20.240 -13.490 -3.710 89 H THR 59 H THR 59 22.300 -13.930 0.430 90 HG1 THR 59 HG1 THR 59 20.200 -10.350 1.790 91 H GLY 61 H GLY 61 27.560 -13.830 4.390 92 H ALA 62 H ALA 62 24.860 -14.740 4.730 93 H ARG 63 H ARG 63 23.250 -16.000 8.060 94 HE ARG 63 HE ARG 63 23.800 -18.430 12.710 95 1HH1 ARG 63 2HH2 ARG 63 23.860 -14.940 12.500 96 2HH1 ARG 63 1HH2 ARG 63 23.530 -14.680 14.190 97 1HH2 ARG 63 2HH1 ARG 63 23.390 -18.090 14.940 98 2HH2 ARG 63 1HH1 ARG 63 23.260 -16.480 15.550 99 H THR 64 H THR 64 20.870 -17.200 6.820 100 HG1 THR 64 HG1 THR 64 17.430 -17.270 7.780 101 H ARG 65 H ARG 65 17.680 -18.810 4.490 102 HE ARG 65 HE ARG 65 16.420 -21.050 2.390 103 1HH1 ARG 65 2HH2 ARG 65 13.290 -20.750 0.760 104 2HH1 ARG 65 1HH2 ARG 65 12.620 -22.140 1.550 105 1HH2 ARG 65 2HH1 ARG 65 15.520 -22.820 3.380 106 2HH2 ARG 65 1HH1 ARG 65 13.890 -23.300 3.050 107 H GLY 66 H GLY 66 18.000 -16.210 5.090 108 H THR 67 H THR 67 16.750 -12.230 5.930 109 HG1 THR 67 HG1 THR 67 15.810 -9.670 7.310 110 H ARG 68 H ARG 68 16.780 -11.480 3.410 111 HE ARG 68 HE ARG 68 20.630 -8.460 2.070 112 1HH1 ARG 68 2HH2 ARG 68 18.760 -5.770 3.310 113 2HH1 ARG 68 1HH2 ARG 68 20.130 -4.710 3.470 114 1HH2 ARG 68 2HH1 ARG 68 22.430 -7.090 2.340 115 2HH2 ARG 68 1HH1 ARG 68 22.200 -5.480 2.940 116 H ARG 69 H ARG 69 14.230 -9.500 0.370 117 HE ARG 69 HE ARG 69 9.390 -13.640 -1.580 118 1HH1 ARG 69 2HH2 ARG 69 11.860 -16.100 -1.730 119 2HH1 ARG 69 1HH2 ARG 69 10.730 -17.410 -1.810 120 1HH2 ARG 69 2HH1 ARG 69 7.940 -15.410 -1.630 121 2HH2 ARG 69 1HH1 ARG 69 8.540 -17.030 -1.700 122 H ILE 70 H ILE 70 13.670 -11.270 -3.500 123 H ILE 71 H ILE 71 11.260 -7.990 -5.260 124 H THR 72 H THR 72 9.800 -10.110 -8.480 125 HG1 THR 72 HG1 THR 72 11.090 -11.220 -10.660 126 H GLY 73 H GLY 73 8.800 -7.180 -11.800 127 H GLU 74 H GLU 74 4.650 -7.350 -13.330 128 H ALA 75 H ALA 75 6.350 -5.700 -14.660 129 H THR 76 H THR 76 9.380 -4.920 -17.670 130 HG1 THR 76 HG1 THR 76 12.450 -6.840 -18.580 131 H GLN 77 H GLN 77 12.510 -4.570 -14.390 132 1HE2 GLN 77 2HE2 GLN 77 15.430 -2.370 -17.540 133 2HE2 GLN 77 1HE2 GLN 77 16.540 -1.030 -17.360 134 H GLU 78 H GLU 78 11.040 -4.140 -12.690 135 H ASP 79 H ASP 79 11.990 -3.540 -9.790 136 H TYR 80 H TYR 80 10.240 -5.940 -6.620 137 HH TYR 80 HH TYR 80 5.150 -2.290 -8.350 138 H TYR 81 H TYR 81 11.860 -3.640 -3.030 139 HH TYR 81 HH TYR 81 19.190 -6.600 0.550 140 H THR 82 H THR 82 12.550 -7.070 -0.490 141 HG1 THR 82 HG1 THR 82 11.160 -9.210 2.760 142 H GLY 83 H GLY 83 13.790 -7.770 1.790 143 H ASP 84 H ASP 84 12.600 -7.480 4.130 144 H HIS 85 H HIS 85 12.440 -9.560 4.290 145 HD1 HIS 85 HD1 HIS 85 9.080 -13.640 6.310 146 HE2 HIS 85 HE2 HIS 85 11.030 -16.320 3.980 147 H TYR 86 H TYR 86 9.850 -10.200 2.540 148 HH TYR 86 HH TYR 86 7.010 -13.340 -2.590 149 H ALA 87 H ALA 87 9.190 -8.250 4.580 150 H THR 88 H THR 88 8.730 -6.330 3.520 151 HG1 THR 88 HG1 THR 88 11.420 -3.850 4.390 152 H PHE 89 H PHE 89 8.610 -2.550 1.430 153 H SER 90 H SER 90 11.100 -2.870 -1.290 154 HG SER 90 HG SER 90 12.660 -0.280 0.880 155 H LEU 91 H LEU 91 10.110 -0.130 -4.210 156 H ILE 92 H ILE 92 13.010 -1.330 -7.740 157 H ASP 93 H ASP 93 16.520 1.350 -7.140 158 H GLN 94 H GLN 94 17.130 1.070 -11.050 159 1HE2 GLN 94 2HE2 GLN 94 16.110 -2.170 -12.440 160 2HE2 GLN 94 1HE2 GLN 94 15.230 -1.290 -13.680 161 H THR 95 H THR 95 18.320 3.370 -12.080 162 HG1 THR 95 HG1 THR 95 18.410 7.810 -12.850 163 H CYS 96 H CYS 96 18.940 4.700 -9.660 Start of MODEL 5 1 1H ASP 1 1H ASP 1 1.930 0.370 0.690 2 2H ASP 1 2H ASP 1 0.490 0.300 0.000 3 3H ASP 1 3H ASP 1 1.310 -1.090 0.350 4 H VAL 2 H VAL 2 3.430 0.980 -3.200 5 H SER 3 H SER 3 0.860 3.940 -5.320 6 HG SER 3 HG SER 3 -1.980 3.600 -8.730 7 H GLY 4 H GLY 4 3.130 3.940 -6.700 8 H THR 5 H THR 5 6.450 5.320 -9.010 9 HG1 THR 5 HG1 THR 5 9.310 5.930 -7.870 10 H VAL 6 H VAL 6 6.360 9.860 -8.290 11 H CYS 7 H CYS 7 6.670 11.130 -12.160 12 H LEU 8 H LEU 8 9.490 14.500 -10.640 13 H SER 9 H SER 9 8.820 16.180 -12.820 14 HG SER 9 HG SER 9 8.550 17.620 -17.040 15 H ALA 10 H ALA 10 6.330 15.370 -13.130 16 H LEU 11 H LEU 11 5.010 16.330 -11.520 17 H GLU 14 H GLU 14 2.240 23.330 -8.180 18 H ALA 15 H ALA 15 3.320 21.470 -7.210 19 H THR 16 H THR 16 6.010 21.070 -6.740 20 HG1 THR 16 HG1 THR 16 10.240 21.320 -7.130 21 H ASP 17 H ASP 17 5.660 22.860 -4.510 22 H THR 18 H THR 18 4.800 21.880 -1.800 23 HG1 THR 18 HG1 THR 18 2.750 20.210 0.710 24 H LEU 19 H LEU 19 7.100 19.870 -1.720 25 H ASN 20 H ASN 20 9.100 21.920 -1.560 26 1HD2 ASN 20 2HD2 ASN 20 10.270 25.420 -3.460 27 2HD2 ASN 20 1HD2 ASN 20 11.940 25.920 -3.500 28 H LEU 21 H LEU 21 8.500 22.780 0.880 29 H ILE 22 H ILE 22 9.230 20.630 2.340 30 H ALA 23 H ALA 23 11.870 20.580 1.900 31 H SER 24 H SER 24 12.700 23.050 2.620 32 HG SER 24 HG SER 24 13.510 27.330 2.560 33 H ASP 25 H ASP 25 12.600 22.360 5.130 34 H GLY 26 H GLY 26 10.120 23.890 5.690 35 H PHE 28 H PHE 28 6.080 26.680 7.940 36 H TYR 30 H TYR 30 0.930 26.440 4.440 37 HH TYR 30 HH TYR 30 -5.580 24.290 0.420 38 H SER 31 H SER 31 -2.610 25.680 7.180 39 HG SER 31 HG SER 31 -3.660 26.320 10.870 40 H GLN 32 H GLN 32 -0.220 23.020 7.640 41 1HE2 GLN 32 2HE2 GLN 32 -4.870 18.350 7.180 42 2HE2 GLN 32 1HE2 GLN 32 -5.540 18.720 5.600 43 H ASP 33 H ASP 33 0.870 20.830 9.520 44 H GLY 34 H GLY 34 4.380 18.570 9.700 45 H VAL 35 H VAL 35 3.140 17.230 10.880 46 H VAL 36 H VAL 36 2.380 13.800 13.520 47 H PHE 37 H PHE 37 2.970 10.440 10.520 48 H GLN 38 H GLN 38 0.280 8.180 11.960 49 1HE2 GLN 38 2HE2 GLN 38 1.040 2.360 11.700 50 2HE2 GLN 38 1HE2 GLN 38 -0.220 1.560 12.590 51 H ASN 39 H ASN 39 1.140 6.520 8.900 52 1HD2 ASN 39 2HD2 ASN 39 0.820 1.660 6.470 53 2HD2 ASN 39 1HD2 ASN 39 1.020 0.890 8.000 54 H ARG 40 H ARG 40 -2.060 6.280 9.220 55 HE ARG 40 HE ARG 40 -3.520 8.170 12.220 56 1HH1 ARG 40 2HH2 ARG 40 -5.580 9.740 9.820 57 2HH1 ARG 40 1HH2 ARG 40 -6.690 10.360 11.000 58 1HH2 ARG 40 2HH1 ARG 40 -4.990 8.920 13.690 59 2HH2 ARG 40 1HH1 ARG 40 -6.340 9.880 13.200 60 H GLU 41 H GLU 41 -3.600 5.360 7.010 61 H SER 42 H SER 42 -2.660 2.900 6.910 62 HG SER 42 HG SER 42 -2.580 -1.970 6.560 63 H VAL 43 H VAL 43 -1.900 2.900 4.000 64 H LEU 44 H LEU 44 0.120 2.730 3.450 65 H THR 46 H THR 46 3.790 0.310 4.280 66 HG1 THR 46 HG1 THR 46 6.720 3.340 4.440 67 H GLN 47 H GLN 47 5.160 1.490 7.920 68 1HE2 GLN 47 2HE2 GLN 47 3.600 -2.740 12.700 69 2HE2 GLN 47 1HE2 GLN 47 2.990 -4.300 12.190 70 H SER 48 H SER 48 6.180 0.980 9.600 71 HG SER 48 HG SER 48 8.710 3.320 9.470 72 H TYR 49 H TYR 49 6.440 3.180 13.640 73 HH TYR 49 HH TYR 49 1.390 8.150 18.660 74 H GLY 50 H GLY 50 4.770 7.290 13.160 75 H TYR 51 H TYR 51 7.200 6.650 11.880 76 HH TYR 51 HH TYR 51 14.660 5.230 9.880 77 H TYR 52 H TYR 52 6.110 8.680 10.350 78 HH TYR 52 HH TYR 52 4.310 3.770 4.370 79 H HIS 53 H HIS 53 5.080 11.330 7.070 80 HD1 HIS 53 HD1 HIS 53 7.970 12.380 8.900 81 HE2 HIS 53 HE2 HIS 53 7.210 13.200 12.770 82 H GLU 54 H GLU 54 2.630 14.690 8.460 83 H TYR 55 H TYR 55 1.890 15.980 4.290 84 HH TYR 55 HH TYR 55 7.300 18.380 9.230 85 H THR 56 H THR 56 -0.050 18.380 4.280 86 HG1 THR 56 HG1 THR 56 -3.640 18.680 2.960 87 H VAL 57 H VAL 57 -0.390 18.770 -0.200 88 H ILE 58 H ILE 58 0.380 22.940 -0.480 89 H THR 59 H THR 59 -3.430 24.180 -2.820 90 HG1 THR 59 HG1 THR 59 -3.530 20.320 -4.540 91 H GLY 61 H GLY 61 -6.620 27.730 -7.250 92 H ALA 62 H ALA 62 -7.530 26.050 -5.120 93 H ARG 63 H ARG 63 -11.210 24.900 -4.340 94 HE ARG 63 HE ARG 63 -14.120 27.130 -6.170 95 1HH1 ARG 63 2HH2 ARG 63 -15.560 23.990 -6.800 96 2HH1 ARG 63 1HH2 ARG 63 -15.920 24.340 -8.460 97 1HH2 ARG 63 2HH1 ARG 63 -14.590 27.560 -8.360 98 2HH2 ARG 63 1HH1 ARG 63 -15.380 26.350 -9.320 99 H THR 64 H THR 64 -10.580 24.000 -1.530 100 HG1 THR 64 HG1 THR 64 -11.710 21.210 0.470 101 H ARG 65 H ARG 65 -9.130 22.760 2.200 102 HE ARG 65 HE ARG 65 -7.680 20.850 6.240 103 1HH1 ARG 65 2HH2 ARG 65 -5.880 23.820 6.010 104 2HH1 ARG 65 1HH2 ARG 65 -6.820 24.680 7.190 105 1HH2 ARG 65 2HH1 ARG 65 -8.930 21.950 7.790 106 2HH2 ARG 65 1HH1 ARG 65 -8.560 23.590 8.200 107 H GLY 66 H GLY 66 -8.760 21.580 -0.270 108 H THR 67 H THR 67 -8.710 18.330 -2.520 109 HG1 THR 67 HG1 THR 67 -8.150 15.790 -4.860 110 H ARG 68 H ARG 68 -5.830 17.860 -3.050 111 HE ARG 68 HE ARG 68 -3.010 19.900 -6.320 112 1HH1 ARG 68 2HH2 ARG 68 -5.150 17.480 -7.650 113 2HH1 ARG 68 1HH2 ARG 68 -5.250 18.240 -9.210 114 1HH2 ARG 68 2HH1 ARG 68 -3.180 20.910 -8.350 115 2HH2 ARG 68 1HH1 ARG 68 -4.110 20.150 -9.590 116 H ARG 69 H ARG 69 -2.120 15.590 -1.830 117 HE ARG 69 HE ARG 69 -1.900 13.810 4.610 118 1HH1 ARG 69 2HH2 ARG 69 -3.390 17.040 4.780 119 2HH1 ARG 69 1HH2 ARG 69 -4.110 16.700 6.320 120 1HH2 ARG 69 2HH1 ARG 69 -2.800 13.560 6.570 121 2HH2 ARG 69 1HH1 ARG 69 -3.780 14.770 7.360 122 H ILE 70 H ILE 70 0.470 16.150 1.390 123 H ILE 71 H ILE 71 2.800 12.560 0.860 124 H THR 72 H THR 72 4.960 13.070 4.360 125 HG1 THR 72 HG1 THR 72 7.050 15.090 5.220 126 H GLY 73 H GLY 73 8.950 10.980 3.810 127 H GLU 74 H GLU 74 9.980 8.610 7.440 128 H ALA 75 H ALA 75 12.010 8.570 5.560 129 H THR 76 H THR 76 15.520 10.450 3.750 130 HG1 THR 76 HG1 THR 76 16.590 13.840 2.840 131 H GLN 77 H GLN 77 12.970 12.060 0.330 132 1HE2 GLN 77 2HE2 GLN 77 16.080 12.780 -2.780 133 2HE2 GLN 77 1HE2 GLN 77 16.700 12.330 -4.350 134 H GLU 78 H GLU 78 11.140 10.630 0.810 135 H ASP 79 H ASP 79 8.730 10.710 -1.100 136 H TYR 80 H TYR 80 4.860 10.740 0.330 137 HH TYR 80 HH TYR 80 7.230 4.740 1.110 138 H TYR 81 H TYR 81 2.620 10.540 -3.600 139 HH TYR 81 HH TYR 81 -1.120 17.700 -6.580 140 H THR 82 H THR 82 -0.940 12.670 -2.200 141 HG1 THR 82 HG1 THR 82 -4.900 12.340 -0.990 142 H GLY 83 H GLY 83 -3.210 13.920 -3.240 143 H ASP 84 H ASP 84 -5.430 12.440 -3.650 144 H HIS 85 H HIS 85 -6.330 13.500 -2.000 145 HD1 HIS 85 HD1 HIS 85 -9.840 12.650 2.390 146 HE2 HIS 85 HE2 HIS 85 -8.520 16.170 3.890 147 H TYR 86 H TYR 86 -5.290 11.930 0.790 148 HH TYR 86 HH TYR 86 -3.080 12.220 7.280 149 H ALA 87 H ALA 87 -6.410 9.880 -1.260 150 H THR 88 H THR 88 -4.800 8.520 -2.040 151 HG1 THR 88 HG1 THR 88 -4.590 9.840 -5.630 152 H PHE 89 H PHE 89 -1.590 6.710 -4.290 153 H SER 90 H SER 90 1.090 9.200 -4.390 154 HG SER 90 HG SER 90 0.220 8.720 -8.020 155 H LEU 91 H LEU 91 4.700 7.200 -4.940 156 H ILE 92 H ILE 92 7.600 10.860 -4.100 157 H ASP 93 H ASP 93 8.310 11.610 -8.340 158 H GLN 94 H GLN 94 11.840 12.800 -6.920 159 1HE2 GLN 94 2HE2 GLN 94 11.240 12.500 -4.890 160 2HE2 GLN 94 1HE2 GLN 94 12.480 12.190 -3.720 161 H THR 95 H THR 95 13.970 12.590 -8.310 162 HG1 THR 95 HG1 THR 95 17.030 10.170 -10.530 163 H CYS 96 H CYS 96 12.900 13.090 -10.870 Start of MODEL 6 1 1H ASP 1 1H ASP 1 1.870 0.410 0.760 2 2H ASP 1 2H ASP 1 0.430 0.440 0.010 3 3H ASP 1 3H ASP 1 1.160 -1.000 0.380 4 H VAL 2 H VAL 2 3.440 0.960 -3.120 5 H SER 3 H SER 3 1.150 4.870 -3.560 6 HG SER 3 HG SER 3 -2.550 5.790 -2.430 7 H GLY 4 H GLY 4 1.470 4.340 -6.200 8 H THR 5 H THR 5 1.780 6.120 -10.240 9 HG1 THR 5 HG1 THR 5 4.490 5.430 -12.130 10 H VAL 6 H VAL 6 4.610 9.630 -9.720 11 H CYS 7 H CYS 7 2.310 12.390 -11.610 12 H LEU 8 H LEU 8 6.260 13.960 -13.440 13 H SER 9 H SER 9 5.300 16.500 -13.990 14 HG SER 9 HG SER 9 3.020 19.820 -15.930 15 H ALA 10 H ALA 10 3.570 16.650 -12.020 16 H LEU 11 H LEU 11 4.770 17.330 -10.190 17 H GLU 14 H GLU 14 9.660 22.590 -5.820 18 H ALA 15 H ALA 15 9.870 20.170 -6.290 19 H THR 16 H THR 16 11.220 18.990 -8.410 20 HG1 THR 16 HG1 THR 16 12.920 18.440 -12.270 21 H ASP 17 H ASP 17 13.620 19.580 -6.920 22 H THR 18 H THR 18 14.720 17.820 -4.840 23 HG1 THR 18 HG1 THR 18 14.790 15.880 -1.770 24 H LEU 19 H LEU 19 14.690 15.480 -6.740 25 H ASN 20 H ASN 20 16.770 16.560 -8.390 26 1HD2 ASN 20 2HD2 ASN 20 17.760 20.030 -10.400 27 2HD2 ASN 20 1HD2 ASN 20 18.690 20.000 -11.890 28 H LEU 21 H LEU 21 18.780 16.390 -6.690 29 H ILE 22 H ILE 22 18.960 13.660 -6.440 30 H ALA 23 H ALA 23 19.770 13.140 -8.930 31 H SER 24 H SER 24 21.980 14.620 -9.450 32 HG SER 24 HG SER 24 23.940 17.770 -10.870 33 H ASP 25 H ASP 25 23.410 12.800 -8.050 34 H GLY 26 H GLY 26 23.620 14.820 -6.010 35 H PHE 28 H PHE 28 24.770 17.480 -1.370 36 H TYR 30 H TYR 30 19.520 20.000 1.530 37 HH TYR 30 HH TYR 30 13.240 22.210 4.970 38 H SER 31 H SER 31 19.990 18.790 6.000 39 HG SER 31 HG SER 31 22.920 18.280 8.600 40 H GLN 32 H GLN 32 19.320 16.580 4.420 41 1HE2 GLN 32 2HE2 GLN 32 14.650 14.040 7.370 42 2HE2 GLN 32 1HE2 GLN 32 13.620 13.000 6.390 43 H ASP 33 H ASP 33 20.760 13.220 4.220 44 H GLY 34 H GLY 34 21.460 10.450 1.120 45 H VAL 35 H VAL 35 21.070 8.950 2.690 46 H VAL 36 H VAL 36 21.030 5.090 4.800 47 H PHE 37 H PHE 37 17.590 3.090 2.620 48 H GLN 38 H GLN 38 16.420 1.020 5.360 49 1HE2 GLN 38 2HE2 GLN 38 15.560 -5.320 4.160 50 2HE2 GLN 38 1HE2 GLN 38 14.890 -5.860 5.670 51 H ASN 39 H ASN 39 13.570 0.750 3.190 52 1HD2 ASN 39 2HD2 ASN 39 9.470 -2.300 1.750 53 2HD2 ASN 39 1HD2 ASN 39 7.930 -1.710 2.230 54 H ARG 40 H ARG 40 12.530 1.070 6.140 55 HE ARG 40 HE ARG 40 14.800 3.910 8.390 56 1HH1 ARG 40 2HH2 ARG 40 16.300 0.800 7.980 57 2HH1 ARG 40 1HH2 ARG 40 17.830 1.260 8.660 58 1HH2 ARG 40 2HH1 ARG 40 16.790 4.520 9.400 59 2HH2 ARG 40 1HH1 ARG 40 18.050 3.340 9.520 60 H GLU 41 H GLU 41 9.790 1.510 6.550 61 H SER 42 H SER 42 8.840 -0.850 5.890 62 HG SER 42 HG SER 42 6.050 -4.900 5.960 63 H VAL 43 H VAL 43 6.980 0.140 3.790 64 H LEU 44 H LEU 44 7.360 0.080 1.840 65 H THR 46 H THR 46 8.370 -3.330 -1.040 66 HG1 THR 46 HG1 THR 46 11.040 -1.390 -3.490 67 H GLN 47 H GLN 47 12.330 -4.090 -0.570 68 1HE2 GLN 47 2HE2 GLN 47 12.120 -7.430 5.100 69 2HE2 GLN 47 1HE2 GLN 47 10.990 -8.760 5.220 70 H SER 48 H SER 48 13.840 -5.410 -0.670 71 HG SER 48 HG SER 48 15.830 -3.770 -2.920 72 H TYR 49 H TYR 49 18.130 -5.280 1.000 73 HH TYR 49 HH TYR 49 22.160 -2.060 8.030 74 H GLY 50 H GLY 50 18.930 -1.100 2.320 75 H TYR 51 H TYR 51 18.860 -1.770 -0.470 76 HH TYR 51 HH TYR 51 18.240 -3.090 -8.520 77 H TYR 52 H TYR 52 18.000 0.850 -0.180 78 HH TYR 52 HH TYR 52 10.310 -0.260 -1.450 79 H HIS 53 H HIS 53 16.210 4.830 -0.600 80 HD1 HIS 53 HD1 HIS 53 19.500 4.290 -2.330 81 HE2 HIS 53 HE2 HIS 53 22.510 3.620 0.250 82 H GLU 54 H GLU 54 17.940 7.800 2.050 83 H TYR 55 H TYR 55 15.050 11.030 0.960 84 HH TYR 55 HH TYR 55 22.060 9.050 -1.410 85 H THR 56 H THR 56 15.330 13.540 2.570 86 HG1 THR 56 HG1 THR 56 12.830 15.190 4.960 87 H VAL 57 H VAL 57 12.070 15.730 0.430 88 H ILE 58 H ILE 58 14.290 19.350 -0.510 89 H THR 59 H THR 59 11.700 22.670 1.530 90 HG1 THR 59 HG1 THR 59 8.370 19.940 0.560 91 H GLY 61 H GLY 61 8.610 28.350 2.590 92 H ALA 62 H ALA 62 8.890 25.940 4.060 93 H ARG 63 H ARG 63 7.580 25.600 7.700 94 HE ARG 63 HE ARG 63 5.890 28.220 8.100 95 1HH1 ARG 63 2HH2 ARG 63 3.400 27.180 10.350 96 2HH1 ARG 63 1HH2 ARG 63 2.120 27.990 9.510 97 1HH2 ARG 63 2HH1 ARG 63 4.190 29.240 7.010 98 2HH2 ARG 63 1HH1 ARG 63 2.580 29.170 7.640 99 H THR 64 H THR 64 9.320 23.410 8.530 100 HG1 THR 64 HG1 THR 64 8.520 21.090 11.090 101 H ARG 65 H ARG 65 12.230 20.300 9.250 102 HE ARG 65 HE ARG 65 13.820 15.280 8.940 103 1HH1 ARG 65 2HH2 ARG 65 16.470 17.220 7.710 104 2HH1 ARG 65 1HH2 ARG 65 17.510 16.890 9.060 105 1HH2 ARG 65 2HH1 ARG 65 15.240 14.820 10.680 106 2HH2 ARG 65 1HH1 ARG 65 16.800 15.550 10.710 107 H GLY 66 H GLY 66 9.630 19.750 8.170 108 H THR 67 H THR 67 6.150 17.810 6.890 109 HG1 THR 67 HG1 THR 67 3.560 16.780 5.150 110 H ARG 68 H ARG 68 6.970 17.310 4.170 111 HE ARG 68 HE ARG 68 8.560 16.650 -0.290 112 1HH1 ARG 68 2HH2 ARG 68 5.340 15.320 -0.340 113 2HH1 ARG 68 1HH2 ARG 68 5.840 13.750 -0.850 114 1HH2 ARG 68 2HH1 ARG 68 9.200 14.530 -0.930 115 2HH2 ARG 68 1HH1 ARG 68 8.000 13.310 -1.070 116 H ARG 69 H ARG 69 8.450 14.170 1.390 117 HE ARG 69 HE ARG 69 12.460 9.950 5.030 118 1HH1 ARG 69 2HH2 ARG 69 11.580 12.960 6.670 119 2HH1 ARG 69 1HH2 ARG 69 11.530 12.210 8.230 120 1HH2 ARG 69 2HH1 ARG 69 12.250 9.040 7.080 121 2HH2 ARG 69 1HH1 ARG 69 11.820 10.010 8.450 122 H ILE 70 H ILE 70 12.280 12.470 0.670 123 H ILE 71 H ILE 71 11.340 9.190 -2.080 124 H THR 72 H THR 72 15.070 7.390 -2.030 125 HG1 THR 72 HG1 THR 72 17.560 8.480 -3.490 126 H GLY 73 H GLY 73 15.450 5.080 -5.870 127 H GLU 74 H GLU 74 17.600 1.270 -5.020 128 H ALA 75 H ALA 75 17.140 1.650 -7.730 129 H THR 76 H THR 76 18.320 3.450 -11.500 130 HG1 THR 76 HG1 THR 76 19.770 6.460 -12.640 131 H GLN 77 H GLN 77 15.220 6.770 -11.080 132 1HE2 GLN 77 2HE2 GLN 77 12.190 7.570 -14.390 133 2HE2 GLN 77 1HE2 GLN 77 12.110 7.860 -16.100 134 H GLU 78 H GLU 78 13.940 5.860 -9.330 135 H ASP 79 H ASP 79 11.660 7.280 -8.250 136 H TYR 80 H TYR 80 10.840 7.010 -4.450 137 HH TYR 80 HH TYR 80 9.200 0.890 -4.950 138 H TYR 81 H TYR 81 6.780 8.530 -3.010 139 HH TYR 81 HH TYR 81 6.080 17.180 -2.430 140 H THR 82 H THR 82 7.280 11.100 -0.140 141 HG1 THR 82 HG1 THR 82 6.120 10.910 4.040 142 H GLY 83 H GLY 83 6.210 13.080 1.750 143 H ASP 84 H ASP 84 4.000 12.430 3.220 144 H HIS 85 H HIS 85 5.590 13.020 4.940 145 HD1 HIS 85 HD1 HIS 85 7.370 10.930 9.910 146 HE2 HIS 85 HE2 HIS 85 10.530 13.420 9.490 147 H TYR 86 H TYR 86 7.510 10.160 5.180 148 HH TYR 86 HH TYR 86 13.400 6.450 6.220 149 H ALA 87 H ALA 87 4.480 9.330 4.670 150 H THR 88 H THR 88 3.480 8.850 2.910 151 HG1 THR 88 HG1 THR 88 1.610 10.830 0.790 152 H PHE 89 H PHE 89 2.660 6.940 -0.970 153 H SER 90 H SER 90 4.840 8.700 -3.270 154 HG SER 90 HG SER 90 1.750 10.180 -4.260 155 H LEU 91 H LEU 91 5.160 6.300 -6.710 156 H ILE 92 H ILE 92 8.820 8.400 -8.890 157 H ASP 93 H ASP 93 6.720 11.080 -11.710 158 H GLN 94 H GLN 94 9.930 10.850 -14.060 159 1HE2 GLN 94 2HE2 GLN 94 13.290 10.280 -12.300 160 2HE2 GLN 94 1HE2 GLN 94 13.590 8.990 -13.440 161 H THR 95 H THR 95 9.260 11.200 -16.800 162 HG1 THR 95 HG1 THR 95 7.100 10.180 -20.630 163 H CYS 96 H CYS 96 6.540 11.960 -16.530 Start of MODEL 7 1 1H ASP 1 1H ASP 1 1.180 -0.890 0.290 2 2H ASP 1 2H ASP 1 1.640 0.590 0.690 3 3H ASP 1 3H ASP 1 0.280 0.370 -0.240 4 H VAL 2 H VAL 2 3.940 -0.740 -2.800 5 H SER 3 H SER 3 7.830 0.660 -0.980 6 HG SER 3 HG SER 3 8.820 3.780 0.430 7 H GLY 4 H GLY 4 8.460 -0.150 -3.460 8 H THR 5 H THR 5 11.400 -1.740 -6.310 9 HG1 THR 5 HG1 THR 5 10.830 -4.670 -7.690 10 H VAL 6 H VAL 6 13.830 -4.750 -3.910 11 H CYS 7 H CYS 7 17.520 -3.400 -4.960 12 H LEU 8 H LEU 8 18.650 -7.820 -5.120 13 H SER 9 H SER 9 21.380 -7.500 -4.970 14 HG SER 9 HG SER 9 25.540 -6.080 -5.910 15 H ALA 10 H ALA 10 21.310 -5.340 -3.380 16 H LEU 11 H LEU 11 21.110 -6.240 -1.250 17 H GLU 14 H GLU 14 22.820 -11.010 5.230 18 H ALA 15 H ALA 15 20.690 -10.640 4.100 19 H THR 16 H THR 16 20.300 -12.690 2.100 20 HG1 THR 16 HG1 THR 16 20.630 -14.920 -1.590 21 H ASP 17 H ASP 17 19.900 -14.670 3.730 22 H THR 18 H THR 18 17.420 -14.760 5.220 23 HG1 THR 18 HG1 THR 18 14.850 -13.550 7.470 24 H LEU 19 H LEU 19 15.750 -14.770 2.710 25 H ASN 20 H ASN 20 16.540 -17.450 2.210 26 1HD2 ASN 20 2HD2 ASN 20 20.080 -19.400 1.540 27 2HD2 ASN 20 1HD2 ASN 20 20.260 -20.600 0.280 28 H LEU 21 H LEU 21 15.450 -18.800 4.010 29 H ILE 22 H ILE 22 12.890 -18.420 3.350 30 H ALA 23 H ALA 23 12.840 -19.870 1.130 31 H SER 24 H SER 24 13.770 -22.270 1.590 32 HG SER 24 HG SER 24 16.620 -25.100 1.780 33 H ASP 25 H ASP 25 11.380 -22.890 2.680 34 H GLY 26 H GLY 26 12.450 -22.570 5.460 35 H PHE 28 H PHE 28 13.550 -22.760 10.730 36 H TYR 30 H TYR 30 16.670 -17.400 12.930 37 HH TYR 30 HH TYR 30 18.790 -10.620 15.500 38 H SER 31 H SER 31 14.140 -16.210 16.640 39 HG SER 31 HG SER 31 11.120 -17.750 19.590 40 H GLN 32 H GLN 32 12.620 -16.020 14.380 41 1HE2 GLN 32 2HE2 GLN 32 9.290 -10.610 14.960 42 2HE2 GLN 32 1HE2 GLN 32 9.160 -9.820 13.420 43 H ASP 33 H ASP 33 8.860 -16.540 13.040 44 H GLY 34 H GLY 34 7.310 -17.780 9.510 45 H VAL 35 H VAL 35 5.520 -16.770 10.240 46 H VAL 36 H VAL 36 1.330 -15.530 10.880 47 H PHE 37 H PHE 37 0.850 -12.640 7.400 48 H GLN 38 H GLN 38 -1.590 -10.440 8.870 49 1HE2 GLN 38 2HE2 GLN 38 -5.950 -9.320 9.050 50 2HE2 GLN 38 1HE2 GLN 38 -6.930 -7.910 8.760 51 H ASN 39 H ASN 39 -0.450 -8.330 6.190 52 1HD2 ASN 39 2HD2 ASN 39 -1.830 -4.360 2.930 53 2HD2 ASN 39 1HD2 ASN 39 -0.920 -2.930 3.180 54 H ARG 40 H ARG 40 -0.760 -6.650 8.750 55 HE ARG 40 HE ARG 40 -0.450 -7.460 13.180 56 1HH1 ARG 40 2HH2 ARG 40 1.040 -10.050 11.320 57 2HH1 ARG 40 1HH2 ARG 40 1.810 -10.760 12.680 58 1HH2 ARG 40 2HH1 ARG 40 0.560 -8.470 14.980 59 2HH2 ARG 40 1HH1 ARG 40 1.540 -9.870 14.720 60 H GLU 41 H GLU 41 0.200 -4.060 8.620 61 H SER 42 H SER 42 -1.410 -2.880 7.090 62 HG SER 42 HG SER 42 -4.180 0.700 5.110 63 H VAL 43 H VAL 43 0.690 -1.990 5.180 64 H LEU 44 H LEU 44 1.000 -2.840 3.450 65 H THR 46 H THR 46 -1.580 -4.010 -0.140 66 HG1 THR 46 HG1 THR 46 0.300 -7.620 -1.040 67 H GLN 47 H GLN 47 -3.450 -7.460 0.850 68 1HE2 GLN 47 2HE2 GLN 47 -8.620 -5.190 4.370 69 2HE2 GLN 47 1HE2 GLN 47 -9.530 -3.870 3.660 70 H SER 48 H SER 48 -4.980 -8.710 0.570 71 HG SER 48 HG SER 48 -3.330 -11.580 -0.360 72 H TYR 49 H TYR 49 -6.390 -12.330 3.070 73 HH TYR 49 HH TYR 49 -5.310 -14.780 11.230 74 H GLY 50 H GLY 50 -3.090 -13.230 5.840 75 H TYR 51 H TYR 51 -2.920 -13.980 3.060 76 HH TYR 51 HH TYR 51 -2.100 -16.050 -4.600 77 H TYR 52 H TYR 52 -0.440 -13.340 4.070 78 HH TYR 52 HH TYR 52 0.720 -6.450 0.820 79 H HIS 53 H HIS 53 3.840 -12.550 4.800 80 HD1 HIS 53 HD1 HIS 53 2.970 -16.150 3.770 81 HE2 HIS 53 HE2 HIS 53 0.920 -18.100 6.620 82 H GLU 54 H GLU 54 5.360 -14.040 8.580 83 H TYR 55 H TYR 55 9.370 -12.100 8.330 84 HH TYR 55 HH TYR 55 6.430 -18.950 6.760 85 H THR 56 H THR 56 11.040 -12.290 10.700 86 HG1 THR 56 HG1 THR 56 12.400 -9.560 13.000 87 H VAL 57 H VAL 57 14.570 -10.170 8.910 88 H ILE 58 H ILE 58 17.710 -13.080 9.840 89 H THR 59 H THR 59 20.750 -10.550 12.290 90 HG1 THR 59 HG1 THR 59 19.340 -7.100 9.690 91 H GLY 61 H GLY 61 26.070 -8.120 14.750 92 H ALA 62 H ALA 62 23.400 -7.770 15.250 93 H ARG 63 H ARG 63 22.140 -5.520 18.190 94 HE ARG 63 HE ARG 63 22.460 -2.980 22.220 95 1HH1 ARG 63 2HH2 ARG 63 24.980 -1.790 20.120 96 2HH1 ARG 63 1HH2 ARG 63 24.980 -0.180 20.780 97 1HH2 ARG 63 2HH1 ARG 63 22.470 -0.860 23.100 98 2HH2 ARG 63 1HH1 ARG 63 23.560 0.330 22.460 99 H THR 64 H THR 64 19.530 -6.710 18.480 100 HG1 THR 64 HG1 THR 64 16.440 -4.950 19.070 101 H ARG 65 H ARG 65 15.660 -8.410 18.560 102 HE ARG 65 HE ARG 65 11.740 -11.000 18.800 103 1HH1 ARG 65 2HH2 ARG 65 11.960 -8.280 16.620 104 2HH1 ARG 65 1HH2 ARG 65 11.460 -7.100 17.800 105 1HH2 ARG 65 2HH1 ARG 65 11.120 -9.450 20.350 106 2HH2 ARG 65 1HH1 ARG 65 11.010 -7.780 19.890 107 H GLY 66 H GLY 66 16.710 -6.790 16.630 108 H THR 67 H THR 67 16.230 -3.820 14.250 109 HG1 THR 67 HG1 THR 67 16.410 -1.330 12.140 110 H ARG 68 H ARG 68 16.370 -4.940 11.520 111 HE ARG 68 HE ARG 68 19.510 -5.510 7.530 112 1HH1 ARG 68 2HH2 ARG 68 17.910 -2.420 7.150 113 2HH1 ARG 68 1HH2 ARG 68 18.970 -1.880 5.890 114 1HH2 ARG 68 2HH1 ARG 68 20.890 -4.780 5.880 115 2HH2 ARG 68 1HH1 ARG 68 20.650 -3.210 5.200 116 H ARG 69 H ARG 69 13.420 -5.920 8.510 117 HE ARG 69 HE ARG 69 7.830 -7.960 10.930 118 1HH1 ARG 69 2HH2 ARG 69 10.110 -7.890 13.570 119 2HH1 ARG 69 1HH2 ARG 69 8.970 -7.250 14.700 120 1HH2 ARG 69 2HH1 ARG 69 6.400 -7.040 12.390 121 2HH2 ARG 69 1HH1 ARG 69 6.880 -6.720 14.020 122 H ILE 70 H ILE 70 11.470 -9.780 7.910 123 H ILE 71 H ILE 71 9.440 -8.910 4.210 124 H THR 72 H THR 72 7.220 -12.380 4.220 125 HG1 THR 72 HG1 THR 72 7.910 -15.260 3.780 126 H GLY 73 H GLY 73 6.030 -13.310 -0.040 127 H GLU 74 H GLU 74 1.720 -14.430 -0.300 128 H ALA 75 H ALA 75 3.080 -14.760 -2.660 129 H THR 76 H THR 76 5.580 -17.070 -5.360 130 HG1 THR 76 HG1 THR 76 8.590 -19.130 -5.090 131 H GLN 77 H GLN 77 9.180 -14.510 -4.210 132 1HE2 GLN 77 2HE2 GLN 77 10.180 -15.430 -9.540 133 2HE2 GLN 77 1HE2 GLN 77 11.530 -14.630 -10.290 134 H GLU 78 H GLU 78 8.040 -12.810 -3.150 135 H ASP 79 H ASP 79 9.420 -10.390 -2.080 136 H TYR 80 H TYR 80 8.410 -8.760 1.540 137 HH TYR 80 HH TYR 80 3.690 -7.210 -2.510 138 H TYR 81 H TYR 81 11.170 -5.180 1.550 139 HH TYR 81 HH TYR 81 17.660 -6.400 6.980 140 H THR 82 H THR 82 11.770 -4.970 5.830 141 HG1 THR 82 HG1 THR 82 10.310 -2.770 9.260 142 H GLY 83 H GLY 83 13.140 -3.790 7.900 143 H ASP 84 H ASP 84 12.570 -1.360 8.860 144 H HIS 85 H HIS 85 12.340 -2.830 10.680 145 HD1 HIS 85 HD1 HIS 85 8.580 -3.410 15.010 146 HE2 HIS 85 HE2 HIS 85 10.580 -6.720 16.200 147 H TYR 86 H TYR 86 9.780 -1.480 10.850 148 HH TYR 86 HH TYR 86 3.870 -7.710 10.700 149 H ALA 87 H ALA 87 9.240 -0.460 8.730 150 H THR 88 H THR 88 9.750 0.240 6.950 151 HG1 THR 88 HG1 THR 88 12.490 1.140 5.230 152 H PHE 89 H PHE 89 9.090 0.000 2.590 153 H SER 90 H SER 90 10.830 -3.120 1.560 154 HG SER 90 HG SER 90 12.840 -0.180 -0.070 155 H LEU 91 H LEU 91 9.570 -4.070 -2.330 156 H ILE 92 H ILE 92 11.500 -8.380 -2.810 157 H ASP 93 H ASP 93 15.350 -7.450 -4.780 158 H GLN 94 H GLN 94 15.150 -11.130 -6.270 159 1HE2 GLN 94 2HE2 GLN 94 13.280 -12.490 -4.740 160 2HE2 GLN 94 1HE2 GLN 94 12.380 -13.290 -6.010 161 H THR 95 H THR 95 16.560 -11.190 -8.760 162 HG1 THR 95 HG1 THR 95 17.420 -9.950 -13.020 163 H CYS 96 H CYS 96 17.860 -8.630 -8.710 Start of MODEL 8 1 1H ASP 1 1H ASP 1 1.650 -0.670 0.630 2 2H ASP 1 2H ASP 1 1.210 0.870 0.440 3 3H ASP 1 3H ASP 1 0.280 -0.350 -0.190 4 H VAL 2 H VAL 2 3.960 0.340 -2.900 5 H SER 3 H SER 3 6.210 4.020 -1.420 6 HG SER 3 HG SER 3 5.020 8.270 -0.970 7 H GLY 4 H GLY 4 6.850 3.880 -3.980 8 H THR 5 H THR 5 9.690 4.640 -7.240 9 HG1 THR 5 HG1 THR 5 11.000 2.040 -8.850 10 H VAL 6 H VAL 6 13.760 3.930 -5.310 11 H CYS 7 H CYS 7 15.550 7.270 -6.770 12 H LEU 8 H LEU 8 19.320 4.680 -7.280 13 H SER 9 H SER 9 21.100 6.770 -7.340 14 HG SER 9 HG SER 9 23.220 10.490 -8.680 15 H ALA 10 H ALA 10 19.740 8.380 -5.700 16 H LEU 11 H LEU 11 20.160 7.630 -3.570 17 H GLU 14 H GLU 14 25.480 5.660 2.480 18 H ALA 15 H ALA 15 23.480 4.440 1.610 19 H THR 16 H THR 16 24.290 2.540 -0.450 20 HG1 THR 16 HG1 THR 16 25.570 0.870 -4.220 21 H ASP 17 H ASP 17 25.510 0.860 1.220 22 H THR 18 H THR 18 24.010 -0.820 3.080 23 HG1 THR 18 HG1 THR 18 21.470 -2.060 5.750 24 H LEU 19 H LEU 19 22.510 -2.010 0.710 25 H ASN 20 H ASN 20 24.820 -3.420 -0.240 26 1HD2 ASN 20 2HD2 ASN 20 28.690 -2.610 -1.280 27 2HD2 ASN 20 1HD2 ASN 20 29.490 -3.450 -2.590 28 H LEU 21 H LEU 21 24.910 -5.250 1.560 29 H ILE 22 H ILE 22 22.740 -6.670 1.160 30 H ALA 23 H ALA 23 23.330 -7.660 -1.210 31 H SER 24 H SER 24 25.690 -8.890 -0.940 32 HG SER 24 HG SER 24 30.000 -9.610 -0.620 33 H ASP 25 H ASP 25 24.520 -11.020 0.160 34 H GLY 26 H GLY 26 25.770 -10.120 2.600 35 H PHE 28 H PHE 28 27.230 -9.440 7.800 36 H TYR 30 H TYR 30 26.140 -3.390 10.060 37 HH TYR 30 HH TYR 30 23.760 3.120 13.300 38 H SER 31 H SER 31 24.160 -4.140 14.190 39 HG SER 31 HG SER 31 24.200 -7.040 17.190 40 H GLN 32 H GLN 32 22.420 -4.830 12.130 41 1HE2 GLN 32 2HE2 GLN 32 16.570 -2.870 13.720 42 2HE2 GLN 32 1HE2 GLN 32 17.200 -1.270 14.040 43 H ASP 33 H ASP 33 20.330 -7.820 11.540 44 H GLY 34 H GLY 34 19.280 -9.970 8.020 45 H VAL 35 H VAL 35 17.250 -10.430 8.920 46 H VAL 36 H VAL 36 13.410 -12.130 10.100 47 H PHE 37 H PHE 37 10.820 -10.010 7.020 48 H GLN 38 H GLN 38 7.760 -9.870 9.210 49 1HE2 GLN 38 2HE2 GLN 38 2.280 -12.270 6.610 50 2HE2 GLN 38 1HE2 GLN 38 1.130 -11.560 7.720 51 H ASN 39 H ASN 39 6.830 -7.790 6.410 52 1HD2 ASN 39 2HD2 ASN 39 2.480 -5.860 3.780 53 2HD2 ASN 39 1HD2 ASN 39 1.580 -7.210 4.390 54 H ARG 40 H ARG 40 5.780 -6.310 9.090 55 HE ARG 40 HE ARG 40 6.760 -5.070 12.720 56 1HH1 ARG 40 2HH2 ARG 40 9.600 -6.840 11.700 57 2HH1 ARG 40 1HH2 ARG 40 10.660 -6.040 12.790 58 1HH2 ARG 40 2HH1 ARG 40 8.190 -3.970 14.120 59 2HH2 ARG 40 1HH1 ARG 40 9.870 -4.390 14.110 60 H GLU 41 H GLU 41 4.710 -3.680 8.800 61 H SER 42 H SER 42 2.570 -4.230 7.340 62 HG SER 42 HG SER 42 -1.990 -4.080 5.640 63 H VAL 43 H VAL 43 3.210 -2.240 5.140 64 H LEU 44 H LEU 44 3.790 -2.940 3.330 65 H THR 46 H THR 46 3.080 -6.110 0.550 66 HG1 THR 46 HG1 THR 46 4.840 -6.910 3.180 67 H GLN 47 H GLN 47 2.980 -10.320 1.310 68 1HE2 GLN 47 2HE2 GLN 47 0.370 -14.300 -3.460 69 2HE2 GLN 47 1HE2 GLN 47 -0.630 -13.440 -4.600 70 H SER 48 H SER 48 3.630 -12.280 0.680 71 HG SER 48 HG SER 48 5.560 -14.750 -0.500 72 H TYR 49 H TYR 49 3.970 -15.570 3.690 73 HH TYR 49 HH TYR 49 7.950 -15.010 11.170 74 H GLY 50 H GLY 50 7.290 -13.360 5.710 75 H TYR 51 H TYR 51 7.740 -13.130 3.320 76 HH TYR 51 HH TYR 51 8.480 -15.700 -4.140 77 H TYR 52 H TYR 52 10.300 -11.680 3.800 78 HH TYR 52 HH TYR 52 5.640 -6.130 0.710 79 H HIS 53 H HIS 53 12.760 -8.240 3.860 80 HD1 HIS 53 HD1 HIS 53 14.170 -11.260 2.820 81 HE2 HIS 53 HE2 HIS 53 14.170 -14.220 5.550 82 H GLU 54 H GLU 54 15.050 -8.090 7.630 83 H TYR 55 H TYR 55 16.730 -4.010 6.930 84 HH TYR 55 HH TYR 55 19.110 -11.130 5.320 85 H THR 56 H THR 56 18.590 -3.010 9.120 86 HG1 THR 56 HG1 THR 56 18.130 0.280 11.320 87 H VAL 57 H VAL 57 19.500 1.080 7.320 88 H ILE 58 H ILE 58 23.810 1.030 7.640 89 H THR 59 H THR 59 24.380 5.040 9.920 90 HG1 THR 59 HG1 THR 59 20.630 6.440 8.120 91 H GLY 61 H GLY 61 27.440 10.600 11.150 92 H ALA 62 H ALA 62 25.300 9.080 12.390 93 H ARG 63 H ARG 63 23.540 10.080 15.730 94 HE ARG 63 HE ARG 63 24.890 12.280 16.230 95 1HH1 ARG 63 2HH2 ARG 63 22.120 13.990 17.550 96 2HH1 ARG 63 1HH2 ARG 63 21.920 14.980 16.140 97 1HH2 ARG 63 2HH1 ARG 63 24.500 13.560 14.380 98 2HH2 ARG 63 1HH1 ARG 63 23.320 14.820 14.430 99 H THR 64 H THR 64 22.240 7.540 16.200 100 HG1 THR 64 HG1 THR 64 19.110 7.260 17.560 101 H ARG 65 H ARG 65 20.730 3.460 16.460 102 HE ARG 65 HE ARG 65 19.710 -1.000 17.380 103 1HH1 ARG 65 2HH2 ARG 65 17.590 1.060 15.440 104 2HH1 ARG 65 1HH2 ARG 65 16.560 1.450 16.780 105 1HH2 ARG 65 2HH1 ARG 65 18.410 -0.420 19.070 106 2HH2 ARG 65 1HH1 ARG 65 17.050 0.640 18.830 107 H GLY 66 H GLY 66 19.580 5.430 14.810 108 H THR 67 H THR 67 17.000 7.540 11.940 109 HG1 THR 67 HG1 THR 67 14.890 9.400 10.510 110 H ARG 68 H ARG 68 17.620 5.660 10.170 111 HE ARG 68 HE ARG 68 19.340 8.170 8.110 112 1HH1 ARG 68 2HH2 ARG 68 17.110 8.080 5.410 113 2HH1 ARG 68 1HH2 ARG 68 16.030 9.210 6.140 114 1HH2 ARG 68 2HH1 ARG 68 17.780 9.550 9.080 115 2HH2 ARG 68 1HH1 ARG 68 16.340 9.920 8.190 116 H ARG 69 H ARG 69 15.740 3.190 7.050 117 HE ARG 69 HE ARG 69 13.410 -2.560 9.770 118 1HH1 ARG 69 2HH2 ARG 69 15.670 -1.440 12.210 119 2HH1 ARG 69 1HH2 ARG 69 14.760 -2.140 13.520 120 1HH2 ARG 69 2HH1 ARG 69 12.340 -3.520 11.530 121 2HH2 ARG 69 1HH1 ARG 69 13.050 -3.490 13.110 122 H ILE 70 H ILE 70 16.990 -0.830 6.440 123 H ILE 71 H ILE 71 14.520 -1.910 2.910 124 H THR 72 H THR 72 14.510 -5.990 3.220 125 HG1 THR 72 HG1 THR 72 16.880 -7.860 2.480 126 H GLY 73 H GLY 73 13.680 -7.560 -0.960 127 H GLU 74 H GLU 74 10.890 -11.000 -1.140 128 H ALA 75 H ALA 75 12.180 -10.650 -3.370 129 H THR 76 H THR 76 15.510 -11.140 -6.090 130 HG1 THR 76 HG1 THR 76 19.020 -10.960 -6.070 131 H GLN 77 H GLN 77 16.790 -6.760 -5.550 132 1HE2 GLN 77 2HE2 GLN 77 17.850 -7.520 -10.760 133 2HE2 GLN 77 1HE2 GLN 77 18.230 -6.180 -11.820 134 H GLU 78 H GLU 78 14.950 -6.020 -4.390 135 H ASP 79 H ASP 79 14.750 -3.290 -3.390 136 H TYR 80 H TYR 80 12.990 -2.630 -0.040 137 HH TYR 80 HH TYR 80 7.600 -4.510 -2.380 138 H TYR 81 H TYR 81 12.010 1.660 1.090 139 HH TYR 81 HH TYR 81 18.810 6.810 3.500 140 H THR 82 H THR 82 13.530 2.850 4.550 141 HG1 THR 82 HG1 THR 82 11.620 4.230 8.190 142 H GLY 83 H GLY 83 14.130 4.830 6.290 143 H ASP 84 H ASP 84 12.280 6.540 7.230 144 H HIS 85 H HIS 85 12.880 5.760 9.310 145 HD1 HIS 85 HD1 HIS 85 10.050 4.430 14.000 146 HE2 HIS 85 HE2 HIS 85 13.020 1.910 15.090 147 H TYR 86 H TYR 86 11.070 2.880 9.300 148 HH TYR 86 HH TYR 86 10.250 -3.920 10.900 149 H ALA 87 H ALA 87 9.240 5.080 8.120 150 H THR 88 H THR 88 8.600 4.900 6.110 151 HG1 THR 88 HG1 THR 88 10.130 7.740 4.060 152 H PHE 89 H PHE 89 7.940 4.580 1.860 153 H SER 90 H SER 90 11.130 3.350 0.490 154 HG SER 90 HG SER 90 10.660 6.760 -1.120 155 H LEU 91 H LEU 91 10.440 1.720 -3.390 156 H ILE 92 H ILE 92 14.600 -0.350 -4.340 157 H ASP 93 H ASP 93 16.600 2.810 -6.560 158 H GLN 94 H GLN 94 18.750 -0.130 -8.090 159 1HE2 GLN 94 2HE2 GLN 94 21.500 -3.850 -7.600 160 2HE2 GLN 94 1HE2 GLN 94 20.030 -4.550 -8.240 161 H THR 95 H THR 95 19.600 0.620 -10.740 162 HG1 THR 95 HG1 THR 95 19.030 1.820 -15.060 163 H CYS 96 H CYS 96 18.910 3.370 -10.740 Start of MODEL 9 1 1H ASP 1 1H ASP 1 1.830 0.450 0.730 2 2H ASP 1 2H ASP 1 0.450 0.390 -0.100 3 3H ASP 1 3H ASP 1 1.180 -1.000 0.370 4 H VAL 2 H VAL 2 2.500 0.390 -3.730 5 H SER 3 H SER 3 0.790 4.600 -4.400 6 HG SER 3 HG SER 3 -0.260 7.420 -2.360 7 H GLY 4 H GLY 4 -0.990 3.150 -5.870 8 H THR 5 H THR 5 -3.600 2.700 -9.350 9 HG1 THR 5 HG1 THR 5 -3.440 0.840 -11.840 10 H VAL 6 H VAL 6 -1.670 5.330 -12.580 11 H CYS 7 H CYS 7 -4.760 7.740 -13.360 12 H LEU 8 H LEU 8 -3.530 7.240 -17.720 13 H SER 9 H SER 9 -4.620 9.530 -18.760 14 HG SER 9 HG SER 9 -7.630 12.640 -19.970 15 H ALA 10 H ALA 10 -4.260 10.980 -16.580 16 H LEU 11 H LEU 11 -2.080 11.810 -16.710 17 H GLU 14 H GLU 14 4.250 16.000 -20.040 18 H ALA 15 H ALA 15 4.090 13.650 -19.520 19 H THR 16 H THR 16 3.190 11.570 -20.710 20 HG1 THR 16 HG1 THR 16 0.960 9.260 -23.430 21 H ASP 17 H ASP 17 5.660 11.600 -22.050 22 H THR 18 H THR 18 8.080 10.240 -20.860 23 HG1 THR 18 HG1 THR 18 10.630 9.290 -18.300 24 H LEU 19 H LEU 19 6.590 7.580 -20.740 25 H ASN 20 H ASN 20 6.500 7.290 -23.610 26 1HD2 ASN 20 2HD2 ASN 20 5.390 9.340 -26.900 27 2HD2 ASN 20 1HD2 ASN 20 4.770 8.560 -28.340 28 H LEU 21 H LEU 21 9.060 6.700 -23.860 29 H ILE 22 H ILE 22 9.300 4.370 -22.740 30 H ALA 23 H ALA 23 7.840 2.930 -24.310 31 H SER 24 H SER 24 8.840 3.290 -26.720 32 HG SER 24 HG SER 24 9.770 5.050 -30.670 33 H ASP 25 H ASP 25 10.780 1.580 -26.260 34 H GLY 26 H GLY 26 12.480 3.890 -26.320 35 H PHE 28 H PHE 28 16.760 7.240 -25.830 36 H TYR 30 H TYR 30 15.660 12.120 -21.690 37 HH TYR 30 HH TYR 30 14.900 17.680 -16.580 38 H SER 31 H SER 31 19.750 12.280 -19.520 39 HG SER 31 HG SER 31 23.490 11.320 -19.580 40 H GLN 32 H GLN 32 18.240 10.490 -18.100 41 1HE2 GLN 32 2HE2 GLN 32 18.690 9.950 -12.300 42 2HE2 GLN 32 1HE2 GLN 32 17.870 11.460 -11.980 43 H ASP 33 H ASP 33 18.780 6.760 -17.990 44 H GLY 34 H GLY 34 16.830 3.160 -18.680 45 H VAL 35 H VAL 35 17.960 2.570 -16.950 46 H VAL 36 H VAL 36 19.630 -0.250 -13.990 47 H PHE 37 H PHE 37 15.850 -1.280 -11.690 48 H GLN 38 H GLN 38 17.480 -1.690 -8.380 49 1HE2 GLN 38 2HE2 GLN 38 15.590 -6.480 -4.710 50 2HE2 GLN 38 1HE2 GLN 38 16.720 -6.390 -3.360 51 H ASN 39 H ASN 39 14.040 -1.570 -7.400 52 1HD2 ASN 39 2HD2 ASN 39 10.430 -3.100 -3.780 53 2HD2 ASN 39 1HD2 ASN 39 9.840 -1.830 -2.790 54 H ARG 40 H ARG 40 15.720 0.070 -5.340 55 HE ARG 40 HE ARG 40 19.100 2.010 -7.440 56 1HH1 ARG 40 2HH2 ARG 40 18.870 -1.430 -6.860 57 2HH1 ARG 40 1HH2 ARG 40 20.160 -1.840 -7.940 58 1HH2 ARG 40 2HH1 ARG 40 20.870 1.490 -8.740 59 2HH2 ARG 40 1HH1 ARG 40 21.340 -0.170 -8.940 60 H GLU 41 H GLU 41 14.330 1.600 -3.480 61 H SER 42 H SER 42 13.280 -0.220 -1.990 62 HG SER 42 HG SER 42 11.780 -2.580 2.070 63 H VAL 43 H VAL 43 10.480 0.720 -2.240 64 H LEU 44 H LEU 44 9.180 -0.120 -3.430 65 H THR 46 H THR 46 7.600 -4.270 -4.040 66 HG1 THR 46 HG1 THR 46 7.280 -4.430 -8.130 67 H GLN 47 H GLN 47 10.460 -6.270 -6.100 68 1HE2 GLN 47 2HE2 GLN 47 14.470 -6.510 -1.310 69 2HE2 GLN 47 1HE2 GLN 47 14.120 -7.220 0.240 70 H SER 48 H SER 48 11.320 -8.070 -6.470 71 HG SER 48 HG SER 48 10.770 -8.310 -9.840 72 H TYR 49 H TYR 49 15.250 -9.130 -8.630 73 HH TYR 49 HH TYR 49 22.520 -5.070 -10.600 74 H GLY 50 H GLY 50 16.720 -5.490 -10.740 75 H TYR 51 H TYR 51 14.430 -6.900 -11.680 76 HH TYR 51 HH TYR 51 9.350 -11.740 -15.190 77 H TYR 52 H TYR 52 14.120 -4.280 -12.530 78 HH TYR 52 HH TYR 52 8.400 -2.520 -7.120 79 H HIS 53 H HIS 53 12.480 -0.290 -13.280 80 HD1 HIS 53 HD1 HIS 53 13.010 -2.460 -16.450 81 HE2 HIS 53 HE2 HIS 53 16.920 -3.380 -16.780 82 H GLU 54 H GLU 54 15.460 2.520 -14.710 83 H TYR 55 H TYR 55 12.650 5.940 -14.730 84 HH TYR 55 HH TYR 55 15.140 1.090 -20.050 85 H THR 56 H THR 56 14.070 8.590 -15.340 86 HG1 THR 56 HG1 THR 56 15.060 11.140 -13.410 87 H VAL 57 H VAL 57 10.570 11.470 -14.920 88 H ILE 58 H ILE 58 11.010 13.170 -18.710 89 H THR 59 H THR 59 11.090 17.770 -17.920 90 HG1 THR 59 HG1 THR 59 7.620 16.870 -14.960 91 H GLY 61 H GLY 61 10.460 24.070 -18.330 92 H ALA 62 H ALA 62 11.660 22.480 -16.410 93 H ARG 63 H ARG 63 13.120 23.750 -12.990 94 HE ARG 63 HE ARG 63 12.000 25.970 -12.170 95 1HH1 ARG 63 2HH2 ARG 63 14.130 28.760 -12.090 96 2HH1 ARG 63 1HH2 ARG 63 13.190 29.670 -13.230 97 1HH2 ARG 63 2HH1 ARG 63 10.810 27.160 -13.660 98 2HH2 ARG 63 1HH1 ARG 63 11.320 28.760 -14.110 99 H THR 64 H THR 64 14.860 21.350 -12.510 100 HG1 THR 64 HG1 THR 64 15.910 19.630 -9.450 101 H ARG 65 H ARG 65 17.110 17.760 -12.310 102 HE ARG 65 HE ARG 65 20.280 13.780 -13.720 103 1HH1 ARG 65 2HH2 ARG 65 17.820 14.070 -11.190 104 2HH1 ARG 65 1HH2 ARG 65 18.990 14.340 -9.940 105 1HH2 ARG 65 2HH1 ARG 65 21.730 14.190 -12.090 106 2HH2 ARG 65 1HH1 ARG 65 21.190 14.410 -10.460 107 H GLY 66 H GLY 66 14.530 18.080 -11.600 108 H THR 67 H THR 67 11.510 17.260 -9.030 109 HG1 THR 67 HG1 THR 67 8.860 16.890 -7.160 110 H ARG 68 H ARG 68 9.990 15.400 -10.600 111 HE ARG 68 HE ARG 68 8.780 16.800 -13.650 112 1HH1 ARG 68 2HH2 ARG 68 6.180 17.090 -11.310 113 2HH1 ARG 68 1HH2 ARG 68 6.790 18.550 -10.620 114 1HH2 ARG 68 2HH1 ARG 68 9.520 18.760 -12.780 115 2HH2 ARG 68 1HH1 ARG 68 8.690 19.470 -11.440 116 H ARG 69 H ARG 69 8.870 11.040 -11.250 117 HE ARG 69 HE ARG 69 13.930 6.640 -10.790 118 1HH1 ARG 69 2HH2 ARG 69 15.360 9.360 -12.480 119 2HH1 ARG 69 1HH2 ARG 69 16.990 8.930 -12.050 120 1HH2 ARG 69 2HH1 ARG 69 16.070 6.180 -10.210 121 2HH2 ARG 69 1HH1 ARG 69 17.390 7.110 -10.850 122 H ILE 70 H ILE 70 10.730 8.340 -13.810 123 H ILE 71 H ILE 71 8.230 4.820 -12.840 124 H THR 72 H THR 72 10.600 1.860 -14.500 125 HG1 THR 72 HG1 THR 72 11.000 1.310 -17.470 126 H GLY 73 H GLY 73 7.900 -1.610 -15.480 127 H GLU 74 H GLU 74 9.640 -5.600 -14.510 128 H ALA 75 H ALA 75 7.540 -5.700 -16.060 129 H THR 76 H THR 76 5.410 -5.580 -19.790 130 HG1 THR 76 HG1 THR 76 5.360 -3.520 -22.670 131 H GLN 77 H GLN 77 3.480 -1.540 -18.830 132 1HE2 GLN 77 2HE2 GLN 77 -0.770 -1.070 -19.560 133 2HE2 GLN 77 1HE2 GLN 77 -2.250 -1.570 -20.280 134 H GLU 78 H GLU 78 4.030 -1.250 -16.610 135 H ASP 79 H ASP 79 3.610 1.170 -15.190 136 H TYR 80 H TYR 80 6.250 2.510 -12.580 137 HH TYR 80 HH TYR 80 4.540 -2.000 -8.440 138 H TYR 81 H TYR 81 4.860 6.070 -10.090 139 HH TYR 81 HH TYR 81 5.240 14.140 -13.610 140 H THR 82 H THR 82 7.400 8.090 -9.540 141 HG1 THR 82 HG1 THR 82 9.500 10.530 -6.530 142 H GLY 83 H GLY 83 7.710 11.300 -9.110 143 H ASP 84 H ASP 84 7.410 12.120 -6.560 144 H HIS 85 H HIS 85 9.640 12.630 -6.970 145 HD1 HIS 85 HD1 HIS 85 14.340 12.430 -3.780 146 HE2 HIS 85 HE2 HIS 85 16.580 12.570 -7.160 147 H TYR 86 H TYR 86 11.350 9.730 -6.600 148 HH TYR 86 HH TYR 86 15.910 4.800 -8.430 149 H ALA 87 H ALA 87 9.330 10.090 -4.270 150 H THR 88 H THR 88 7.440 9.140 -4.340 151 HG1 THR 88 HG1 THR 88 4.540 10.990 -5.290 152 H PHE 89 H PHE 89 3.840 6.830 -5.020 153 H SER 90 H SER 90 3.530 6.350 -8.770 154 HG SER 90 HG SER 90 0.540 8.480 -7.650 155 H LEU 91 H LEU 91 1.090 3.180 -9.560 156 H ILE 92 H ILE 92 1.610 2.940 -14.280 157 H ASP 93 H ASP 93 -1.930 5.220 -15.770 158 H GLN 94 H GLN 94 -1.940 2.810 -19.060 159 1HE2 GLN 94 2HE2 GLN 94 1.670 1.580 -20.410 160 2HE2 GLN 94 1HE2 GLN 94 0.980 -0.020 -20.430 161 H THR 95 H THR 95 -4.390 2.510 -20.210 162 HG1 THR 95 HG1 THR 95 -8.710 1.210 -20.040 163 H CYS 96 H CYS 96 -5.850 4.410 -18.670 Start of MODEL 10 1 1H ASP 1 1H ASP 1 0.900 0.910 0.180 2 2H ASP 1 2H ASP 1 0.630 -0.680 0.040 3 3H ASP 1 3H ASP 1 1.970 -0.130 0.850 4 H VAL 2 H VAL 2 2.590 -0.040 -3.710 5 H SER 3 H SER 3 -1.460 -0.970 -5.740 6 HG SER 3 HG SER 3 -5.520 -2.890 -5.210 7 H GLY 4 H GLY 4 -0.270 -3.040 -6.630 8 H THR 5 H THR 5 0.560 -5.950 -9.730 9 HG1 THR 5 HG1 THR 5 3.740 -5.980 -10.730 10 H VAL 6 H VAL 6 0.720 -3.500 -13.560 11 H CYS 7 H CYS 7 -1.520 -6.060 -15.780 12 H LEU 8 H LEU 8 1.440 -5.160 -19.200 13 H SER 9 H SER 9 -0.160 -5.890 -21.240 14 HG SER 9 HG SER 9 -2.620 -8.430 -23.990 15 H ALA 10 H ALA 10 -2.470 -5.190 -20.160 16 H LEU 11 H LEU 11 -2.610 -2.900 -20.510 17 H GLU 14 H GLU 14 -2.620 3.930 -25.200 18 H ALA 15 H ALA 15 -1.410 3.410 -23.190 19 H THR 16 H THR 16 1.230 2.380 -23.750 20 HG1 THR 16 HG1 THR 16 4.490 -0.160 -25.010 21 H ASP 17 H ASP 17 2.240 4.640 -24.650 22 H THR 18 H THR 18 2.820 6.770 -22.660 23 HG1 THR 18 HG1 THR 18 2.030 8.970 -20.000 24 H LEU 19 H LEU 19 4.710 5.010 -21.090 25 H ASN 20 H ASN 20 6.580 5.250 -23.220 26 1HD2 ASN 20 2HD2 ASN 20 6.710 4.280 -27.250 27 2HD2 ASN 20 1HD2 ASN 20 8.110 3.520 -27.980 28 H LEU 21 H LEU 21 7.340 7.620 -23.110 29 H ILE 22 H ILE 22 8.570 7.630 -20.810 30 H ALA 23 H ALA 23 10.590 6.100 -21.340 31 H SER 24 H SER 24 11.770 7.090 -23.410 32 HG SER 24 HG SER 24 12.780 8.010 -27.580 33 H ASP 25 H ASP 25 12.930 8.890 -21.930 34 H GLY 26 H GLY 26 11.030 11.020 -22.840 35 H PHE 28 H PHE 28 8.420 15.510 -24.240 36 H TYR 30 H TYR 30 1.920 14.800 -24.020 37 HH TYR 30 HH TYR 30 -5.470 14.230 -22.590 38 H SER 31 H SER 31 0.520 18.440 -21.500 39 HG SER 31 HG SER 31 1.480 22.320 -21.110 40 H GLN 32 H GLN 32 1.900 16.680 -19.940 41 1HE2 GLN 32 2HE2 GLN 32 -0.990 16.910 -14.580 42 2HE2 GLN 32 1HE2 GLN 32 -2.520 16.660 -15.400 43 H ASP 33 H ASP 33 4.670 17.070 -17.340 44 H GLY 34 H GLY 34 8.020 14.910 -16.220 45 H VAL 35 H VAL 35 7.670 15.720 -14.210 46 H VAL 36 H VAL 36 8.130 17.060 -10.050 47 H PHE 37 H PHE 37 7.470 13.140 -7.910 48 H GLN 38 H GLN 38 5.880 14.640 -4.850 49 1HE2 GLN 38 2HE2 GLN 38 8.830 14.060 0.850 50 2HE2 GLN 38 1HE2 GLN 38 7.460 14.200 1.930 51 H ASN 39 H ASN 39 5.290 11.120 -4.470 52 1HD2 ASN 39 2HD2 ASN 39 4.240 7.440 -0.630 53 2HD2 ASN 39 1HD2 ASN 39 5.070 8.450 0.510 54 H ARG 40 H ARG 40 2.630 12.620 -3.520 55 HE ARG 40 HE ARG 40 1.920 16.110 -5.800 56 1HH1 ARG 40 2HH2 ARG 40 4.440 16.350 -3.410 57 2HH1 ARG 40 1HH2 ARG 40 5.000 17.910 -3.910 58 1HH2 ARG 40 2HH1 ARG 40 2.590 18.210 -6.440 59 2HH2 ARG 40 1HH1 ARG 40 3.910 18.970 -5.610 60 H GLU 41 H GLU 41 0.430 11.010 -2.980 61 H SER 42 H SER 42 1.190 9.770 -0.850 62 HG SER 42 HG SER 42 1.020 7.740 3.620 63 H VAL 43 H VAL 43 0.600 7.050 -1.900 64 H LEU 44 H LEU 44 2.100 5.830 -2.380 65 H THR 46 H THR 46 6.050 4.800 -1.340 66 HG1 THR 46 HG1 THR 46 5.790 7.640 -2.740 67 H GLN 47 H GLN 47 9.490 7.240 -0.520 68 1HE2 GLN 47 2HE2 GLN 47 14.500 3.790 1.500 69 2HE2 GLN 47 1HE2 GLN 47 14.270 2.510 2.680 70 H SER 48 H SER 48 11.530 7.510 -1.000 71 HG SER 48 HG SER 48 14.390 7.590 -2.750 72 H TYR 49 H TYR 49 13.450 11.520 -0.800 73 HH TYR 49 HH TYR 49 11.300 19.430 -3.150 74 H GLY 50 H GLY 50 10.790 13.230 -4.050 75 H TYR 51 H TYR 51 11.570 10.900 -4.740 76 HH TYR 51 HH TYR 51 17.340 5.430 -5.190 77 H TYR 52 H TYR 52 10.280 10.990 -7.320 78 HH TYR 52 HH TYR 52 6.220 5.050 -3.870 79 H HIS 53 H HIS 53 7.620 9.750 -10.370 80 HD1 HIS 53 HD1 HIS 53 10.960 10.380 -11.350 81 HE2 HIS 53 HE2 HIS 53 12.220 14.140 -10.690 82 H GLU 54 H GLU 54 6.050 13.260 -12.540 83 H TYR 55 H TYR 55 2.920 11.060 -14.860 84 HH TYR 55 HH TYR 55 10.230 13.040 -16.060 85 H THR 56 H THR 56 1.290 12.730 -16.630 86 HG1 THR 56 HG1 THR 56 -2.570 13.270 -16.470 87 H VAL 57 H VAL 57 -1.210 9.350 -18.320 88 H ILE 58 H ILE 58 -0.670 10.170 -22.630 89 H THR 59 H THR 59 -4.980 10.700 -24.240 90 HG1 THR 59 HG1 THR 59 -6.050 7.630 -21.110 91 H GLY 61 H GLY 61 -10.390 10.390 -27.780 92 H ALA 62 H ALA 62 -9.750 11.500 -25.300 93 H ARG 63 H ARG 63 -12.340 13.640 -23.290 94 HE ARG 63 HE ARG 63 -16.480 15.510 -25.510 95 1HH1 ARG 63 2HH2 ARG 63 -16.980 12.930 -23.210 96 2HH1 ARG 63 1HH2 ARG 63 -18.440 12.350 -23.940 97 1HH2 ARG 63 2HH1 ARG 63 -18.430 14.750 -26.470 98 2HH2 ARG 63 1HH1 ARG 63 -19.240 13.390 -25.790 99 H THR 64 H THR 64 -10.440 15.080 -21.670 100 HG1 THR 64 HG1 THR 64 -10.750 15.910 -18.230 101 H ARG 65 H ARG 65 -7.370 17.030 -19.420 102 HE ARG 65 HE ARG 65 -2.990 19.680 -18.050 103 1HH1 ARG 65 2HH2 ARG 65 -5.040 17.400 -16.340 104 2HH1 ARG 65 1HH2 ARG 65 -5.890 18.630 -15.460 105 1HH2 ARG 65 2HH1 ARG 65 -4.150 21.250 -16.980 106 2HH2 ARG 65 1HH1 ARG 65 -5.380 20.820 -15.840 107 H GLY 66 H GLY 66 -8.190 14.430 -19.090 108 H THR 67 H THR 67 -9.120 11.340 -16.790 109 HG1 THR 67 HG1 THR 67 -10.200 8.790 -15.250 110 H ARG 68 H ARG 68 -7.230 9.130 -16.990 111 HE ARG 68 HE ARG 68 -6.280 6.050 -21.140 112 1HH1 ARG 68 2HH2 ARG 68 -9.120 5.670 -19.280 113 2HH1 ARG 68 1HH2 ARG 68 -9.600 4.140 -19.960 114 1HH2 ARG 68 2HH1 ARG 68 -6.810 4.060 -22.110 115 2HH2 ARG 68 1HH1 ARG 68 -8.240 3.220 -21.580 116 H ARG 69 H ARG 69 -3.730 8.010 -14.760 117 HE ARG 69 HE ARG 69 -0.420 12.550 -11.510 118 1HH1 ARG 69 2HH2 ARG 69 -1.690 14.510 -14.100 119 2HH1 ARG 69 1HH2 ARG 69 -1.880 15.920 -13.120 120 1HH2 ARG 69 2HH1 ARG 69 -0.610 14.460 -10.240 121 2HH2 ARG 69 1HH1 ARG 69 -1.220 15.900 -10.970 122 H ILE 70 H ILE 70 0.340 9.260 -15.580 123 H ILE 71 H ILE 71 2.410 6.310 -13.020 124 H THR 72 H THR 72 5.980 8.290 -12.760 125 HG1 THR 72 HG1 THR 72 8.120 8.760 -14.750 126 H GLY 73 H GLY 73 9.180 5.200 -11.830 127 H GLU 74 H GLU 74 12.040 5.980 -8.580 128 H ALA 75 H ALA 75 12.700 4.080 -10.150 129 H THR 76 H THR 76 14.700 2.250 -13.580 130 HG1 THR 76 HG1 THR 76 15.060 3.160 -17.010 131 H GLN 77 H GLN 77 10.830 1.450 -15.960 132 1HE2 GLN 77 2HE2 GLN 77 14.220 -2.750 -16.190 133 2HE2 GLN 77 1HE2 GLN 77 13.920 -4.240 -17.050 134 H GLU 78 H GLU 78 9.400 1.710 -13.950 135 H ASP 79 H ASP 79 6.160 1.240 -13.640 136 H TYR 80 H TYR 80 3.820 4.320 -11.820 137 HH TYR 80 HH TYR 80 6.870 1.640 -6.890 138 H TYR 81 H TYR 81 -0.140 2.180 -12.150 139 HH TYR 81 HH TYR 81 -5.380 4.260 -18.720 140 H THR 82 H THR 82 -2.570 5.730 -12.860 141 HG1 THR 82 HG1 THR 82 -5.090 8.500 -10.850 142 H GLY 83 H GLY 83 -5.030 6.640 -13.510 143 H ASP 84 H ASP 84 -7.010 6.920 -11.800 144 H HIS 85 H HIS 85 -6.590 8.990 -12.470 145 HD1 HIS 85 HD1 HIS 85 -6.520 14.380 -10.320 146 HE2 HIS 85 HE2 HIS 85 -5.220 15.680 -13.920 147 H TYR 86 H TYR 86 -6.560 9.500 -9.750 148 HH TYR 86 HH TYR 86 0.980 12.430 -9.080 149 H ALA 87 H ALA 87 -6.150 7.570 -8.510 150 H THR 88 H THR 88 -6.180 5.510 -8.440 151 HG1 THR 88 HG1 THR 88 -7.270 2.810 -9.950 152 H PHE 89 H PHE 89 -3.620 2.020 -7.610 153 H SER 90 H SER 90 -1.360 1.640 -10.660 154 HG SER 90 HG SER 90 -3.610 -1.960 -10.070 155 H LEU 91 H LEU 91 1.660 -1.100 -9.840 156 H ILE 92 H ILE 92 4.160 -0.650 -13.820 157 H ASP 93 H ASP 93 2.310 -3.810 -16.300 158 H GLN 94 H GLN 94 5.960 -4.090 -17.910 159 1HE2 GLN 94 2HE2 GLN 94 9.360 -1.410 -19.510 160 2HE2 GLN 94 1HE2 GLN 94 10.140 -2.200 -18.150 161 H THR 95 H THR 95 6.430 -6.670 -18.970 162 HG1 THR 95 HG1 THR 95 6.930 -11.150 -18.850 163 H CYS 96 H CYS 96 3.900 -7.910 -18.681 Start of MODEL 11 1 1H ASP 1 1H ASP 1 1.900 -0.270 0.760 2 2H ASP 1 2H ASP 1 0.830 0.810 0.210 3 3H ASP 1 3H ASP 1 0.560 -0.810 0.010 4 H VAL 2 H VAL 2 3.770 0.670 -2.990 5 H SER 3 H SER 3 4.610 5.110 -2.050 6 HG SER 3 HG SER 3 2.940 7.450 0.670 7 H GLY 4 H GLY 4 3.500 5.230 -4.630 8 H THR 5 H THR 5 4.290 8.150 -8.000 9 HG1 THR 5 HG1 THR 5 5.600 6.790 -10.880 10 H VAL 6 H VAL 6 8.700 9.220 -7.970 11 H CYS 7 H CYS 7 8.210 13.170 -8.720 12 H LEU 8 H LEU 8 12.090 12.840 -11.220 13 H SER 9 H SER 9 12.750 15.560 -10.940 14 HG SER 9 HG SER 9 12.600 20.010 -11.510 15 H ALA 10 H ALA 10 11.690 15.940 -8.590 16 H LEU 11 H LEU 11 13.180 15.160 -6.960 17 H GLU 14 H GLU 14 20.950 15.650 -3.500 18 H ALA 15 H ALA 15 19.730 13.720 -4.590 19 H THR 16 H THR 16 19.730 12.630 -7.000 20 HG1 THR 16 HG1 THR 16 20.240 12.280 -11.220 21 H ASP 17 H ASP 17 22.140 11.310 -6.180 22 H THR 18 H THR 18 22.110 8.600 -4.820 23 HG1 THR 18 HG1 THR 18 21.200 6.140 -2.370 24 H LEU 19 H LEU 19 20.480 7.370 -7.090 25 H ASN 20 H ASN 20 22.670 7.620 -8.950 26 1HD2 ASN 20 2HD2 ASN 20 25.360 10.440 -10.410 27 2HD2 ASN 20 1HD2 ASN 20 25.960 10.370 -12.050 28 H LEU 21 H LEU 21 24.330 5.900 -7.860 29 H ILE 22 H ILE 22 22.900 3.610 -8.290 30 H ALA 23 H ALA 23 22.890 3.500 -10.950 31 H SER 24 H SER 24 25.500 3.570 -11.580 32 HG SER 24 HG SER 24 29.500 5.060 -12.460 33 H ASP 25 H ASP 25 25.750 1.020 -10.990 34 H GLY 26 H GLY 26 27.210 1.690 -8.540 35 H PHE 28 H PHE 28 30.100 1.760 -3.990 36 H TYR 30 H TYR 30 27.680 5.790 0.580 37 HH TYR 30 HH TYR 30 24.310 9.910 5.810 38 H SER 31 H SER 31 27.790 3.190 4.450 39 HG SER 31 HG SER 31 29.280 -0.720 6.040 40 H GLN 32 H GLN 32 25.740 2.310 2.850 41 1HE2 GLN 32 2HE2 GLN 32 22.930 3.940 5.000 42 2HE2 GLN 32 1HE2 GLN 32 21.470 4.300 5.860 43 H ASP 33 H ASP 33 24.690 -0.990 1.410 44 H GLY 34 H GLY 34 23.030 -2.350 -2.090 45 H VAL 35 H VAL 35 22.580 -3.700 -0.320 46 H VAL 36 H VAL 36 20.210 -7.410 0.600 47 H PHE 37 H PHE 37 16.030 -6.410 -0.900 48 H GLN 38 H GLN 38 14.200 -8.140 1.610 49 1HE2 GLN 38 2HE2 GLN 38 9.810 -12.770 0.280 50 2HE2 GLN 38 1HE2 GLN 38 9.090 -12.750 1.870 51 H ASN 39 H ASN 39 11.540 -6.010 0.340 52 1HD2 ASN 39 2HD2 ASN 39 6.270 -5.860 -0.120 53 2HD2 ASN 39 1HD2 ASN 39 5.450 -4.870 1.020 54 H ARG 40 H ARG 40 11.350 -6.190 3.470 55 HE ARG 40 HE ARG 40 14.710 -4.700 5.740 56 1HH1 ARG 40 2HH2 ARG 40 15.310 -7.490 3.680 57 2HH1 ARG 40 1HH2 ARG 40 17.030 -7.300 3.760 58 1HH2 ARG 40 2HH1 ARG 40 16.970 -4.560 5.850 59 2HH2 ARG 40 1HH1 ARG 40 17.940 -5.730 5.030 60 H GLU 41 H GLU 41 9.470 -4.460 4.610 61 H SER 42 H SER 42 7.190 -5.540 4.100 62 HG SER 42 HG SER 42 2.440 -6.780 4.560 63 H VAL 43 H VAL 43 6.130 -3.180 2.570 64 H LEU 44 H LEU 44 6.160 -3.050 0.670 65 H THR 46 H THR 46 5.360 -5.760 -2.720 66 HG1 THR 46 HG1 THR 46 8.550 -5.830 -1.450 67 H GLN 47 H GLN 47 7.370 -9.440 -3.550 68 1HE2 GLN 47 2HE2 GLN 47 2.740 -12.670 -5.160 69 2HE2 GLN 47 1HE2 GLN 47 1.750 -12.600 -6.600 70 H SER 48 H SER 48 8.320 -10.710 -5.190 71 HG SER 48 HG SER 48 10.380 -11.440 -7.580 72 H TYR 49 H TYR 49 11.280 -13.810 -3.920 73 HH TYR 49 HH TYR 49 16.900 -14.290 2.620 74 H GLY 50 H GLY 50 13.940 -10.630 -2.260 75 H TYR 51 H TYR 51 13.160 -9.900 -4.500 76 HH TYR 51 HH TYR 51 10.510 -10.370 -11.960 77 H TYR 52 H TYR 52 14.550 -7.570 -4.110 78 HH TYR 52 HH TYR 52 7.590 -4.280 -3.540 79 H HIS 53 H HIS 53 15.520 -3.440 -3.260 80 HD1 HIS 53 HD1 HIS 53 17.830 -5.400 -6.030 81 HE2 HIS 53 HE2 HIS 53 20.210 -8.060 -4.160 82 H GLU 54 H GLU 54 19.240 -2.890 -1.090 83 H TYR 55 H TYR 55 18.820 1.480 -0.770 84 HH TYR 55 HH TYR 55 22.590 -3.200 -5.370 85 H THR 56 H THR 56 20.730 2.650 1.100 86 HG1 THR 56 HG1 THR 56 20.450 3.660 4.300 87 H VAL 57 H VAL 57 19.310 6.780 0.400 88 H ILE 58 H ILE 58 23.110 8.600 -0.160 89 H THR 59 H THR 59 22.980 11.990 3.000 90 HG1 THR 59 HG1 THR 59 18.750 12.210 2.530 91 H GLY 61 H GLY 61 24.360 17.960 5.030 92 H ALA 62 H ALA 62 23.430 15.650 6.310 93 H ARG 63 H ARG 63 22.670 15.260 10.100 94 HE ARG 63 HE ARG 63 22.870 18.890 12.760 95 1HH1 ARG 63 2HH2 ARG 63 23.050 16.480 15.310 96 2HH1 ARG 63 1HH2 ARG 63 23.410 17.630 16.550 97 1HH2 ARG 63 2HH1 ARG 63 23.370 20.380 14.420 98 2HH2 ARG 63 1HH1 ARG 63 23.590 19.810 16.040 99 H THR 64 H THR 64 22.730 12.330 10.170 100 HG1 THR 64 HG1 THR 64 20.890 10.280 12.330 101 H ARG 65 H ARG 65 23.190 8.060 9.610 102 HE ARG 65 HE ARG 65 23.530 5.310 9.810 103 1HH1 ARG 65 2HH2 ARG 65 23.710 2.030 8.550 104 2HH1 ARG 65 1HH2 ARG 65 24.260 1.350 10.040 105 1HH2 ARG 65 2HH1 ARG 65 24.230 4.420 11.720 106 2HH2 ARG 65 1HH1 ARG 65 24.530 2.720 11.850 107 H GLY 66 H GLY 66 20.760 9.450 9.040 108 H THR 67 H THR 67 16.760 10.220 8.430 109 HG1 THR 67 HG1 THR 67 13.910 11.390 7.620 110 H ARG 68 H ARG 68 16.750 9.990 5.540 111 HE ARG 68 HE ARG 68 14.820 11.460 2.540 112 1HH1 ARG 68 2HH2 ARG 68 16.350 14.120 0.850 113 2HH1 ARG 68 1HH2 ARG 68 14.860 14.790 0.260 114 1HH2 ARG 68 2HH1 ARG 68 12.900 12.320 1.780 115 2HH2 ARG 68 1HH1 ARG 68 12.890 13.740 0.780 116 H ARG 69 H ARG 69 15.690 7.500 1.910 117 HE ARG 69 HE ARG 69 16.130 0.940 2.730 118 1HH1 ARG 69 2HH2 ARG 69 19.220 1.880 4.150 119 2HH1 ARG 69 1HH2 ARG 69 19.340 0.430 5.100 120 1HH2 ARG 69 2HH1 ARG 69 16.350 -0.910 4.110 121 2HH2 ARG 69 1HH1 ARG 69 17.780 -1.070 5.080 122 H ILE 70 H ILE 70 17.620 4.310 0.080 123 H ILE 71 H ILE 71 14.620 3.040 -2.830 124 H THR 72 H THR 72 16.100 -0.810 -3.990 125 HG1 THR 72 HG1 THR 72 18.460 -1.430 -5.900 126 H GLY 73 H GLY 73 14.270 -1.520 -8.070 127 H GLU 74 H GLU 74 12.670 -5.630 -8.670 128 H ALA 75 H ALA 75 12.790 -4.320 -10.880 129 H THR 76 H THR 76 14.750 -2.900 -14.480 130 HG1 THR 76 HG1 THR 76 17.890 -1.400 -15.360 131 H GLN 77 H GLN 77 15.000 1.320 -12.740 132 1HE2 GLN 77 2HE2 GLN 77 15.280 3.630 -16.550 133 2HE2 GLN 77 1HE2 GLN 77 14.530 4.830 -17.580 134 H GLU 78 H GLU 78 13.600 1.080 -10.930 135 H ASP 79 H ASP 79 12.950 3.300 -9.000 136 H TYR 80 H TYR 80 12.440 2.220 -5.390 137 HH TYR 80 HH TYR 80 8.110 -1.740 -6.660 138 H TYR 81 H TYR 81 10.590 5.080 -2.400 139 HH TYR 81 HH TYR 81 16.190 11.830 -1.560 140 H THR 82 H THR 82 12.790 6.200 0.720 141 HG1 THR 82 HG1 THR 82 12.000 5.780 4.990 142 H GLY 83 H GLY 83 13.230 7.900 2.800 143 H ASP 84 H ASP 84 11.360 8.350 4.660 144 H HIS 85 H HIS 85 12.980 7.400 6.000 145 HD1 HIS 85 HD1 HIS 85 13.160 3.790 10.420 146 HE2 HIS 85 HE2 HIS 85 17.070 3.180 9.580 147 H TYR 86 H TYR 86 12.710 4.020 5.560 148 HH TYR 86 HH TYR 86 14.620 -2.740 4.430 149 H ALA 87 H ALA 87 9.940 5.360 6.060 150 H THR 88 H THR 88 8.580 5.350 4.250 151 HG1 THR 88 HG1 THR 88 7.600 8.770 2.920 152 H PHE 89 H PHE 89 6.420 5.470 0.510 153 H SER 90 H SER 90 9.100 6.330 -2.040 154 HG SER 90 HG SER 90 7.020 9.430 -1.970 155 H LEU 91 H LEU 91 7.490 5.570 -5.920 156 H ILE 92 H ILE 92 11.380 5.850 -8.590 157 H ASP 93 H ASP 93 10.390 9.730 -9.860 158 H GLN 94 H GLN 94 12.480 8.450 -13.040 159 1HE2 GLN 94 2HE2 GLN 94 16.820 6.440 -12.580 160 2HE2 GLN 94 1HE2 GLN 94 15.810 5.040 -12.850 161 H THR 95 H THR 95 11.480 10.160 -14.850 162 HG1 THR 95 HG1 THR 95 10.000 9.420 -19.260 163 H CYS 96 H CYS 96 10.780 12.150 -14.601 Start of MODEL 12 1 1H ASP 1 1H ASP 1 1.510 -0.790 0.490 2 2H ASP 1 2H ASP 1 1.400 0.820 0.560 3 3H ASP 1 3H ASP 1 0.220 -0.070 -0.190 4 H VAL 2 H VAL 2 4.010 0.060 -2.820 5 H SER 3 H SER 3 6.990 2.220 -0.100 6 HG SER 3 HG SER 3 6.370 4.390 3.200 7 H GLY 4 H GLY 4 7.520 3.650 -2.320 8 H THR 5 H THR 5 10.060 5.640 -5.150 9 HG1 THR 5 HG1 THR 5 10.220 4.570 -8.200 10 H VAL 6 H VAL 6 13.790 3.030 -5.270 11 H CYS 7 H CYS 7 16.410 6.070 -5.040 12 H LEU 8 H LEU 8 18.970 3.720 -8.040 13 H SER 9 H SER 9 21.390 4.970 -7.620 14 HG SER 9 HG SER 9 24.150 8.490 -7.210 15 H ALA 10 H ALA 10 20.920 5.560 -5.010 16 H LEU 11 H LEU 11 21.270 3.600 -3.830 17 H GLU 14 H GLU 14 26.550 -2.420 -1.400 18 H ALA 15 H ALA 15 24.560 -2.640 -2.860 19 H THR 16 H THR 16 23.870 -2.820 -5.350 20 HG1 THR 16 HG1 THR 16 24.080 -2.550 -9.640 21 H ASP 17 H ASP 17 24.490 -5.570 -5.030 22 H THR 18 H THR 18 22.500 -7.740 -4.350 23 HG1 THR 18 HG1 THR 18 20.380 -9.140 -2.220 24 H LEU 19 H LEU 19 20.690 -6.810 -6.450 25 H ASN 20 H ASN 20 22.420 -7.690 -8.550 26 1HD2 ASN 20 2HD2 ASN 20 26.370 -7.210 -10.040 27 2HD2 ASN 20 1HD2 ASN 20 26.750 -7.360 -11.740 28 H LEU 21 H LEU 21 22.320 -10.250 -8.200 29 H ILE 22 H ILE 22 19.730 -10.720 -8.800 30 H ALA 23 H ALA 23 19.720 -10.050 -11.390 31 H SER 24 H SER 24 21.620 -11.580 -12.490 32 HG SER 24 HG SER 24 25.460 -13.570 -13.160 33 H ASP 25 H ASP 25 20.090 -13.630 -12.280 34 H GLY 26 H GLY 26 21.230 -15.040 -10.330 35 H PHE 28 H PHE 28 22.810 -18.350 -6.400 36 H TYR 30 H TYR 30 24.180 -15.100 -0.910 37 HH TYR 30 HH TYR 30 24.660 -11.210 5.520 38 H SER 31 H SER 31 22.160 -17.620 2.450 39 HG SER 31 HG SER 31 20.240 -21.550 3.180 40 H GLN 32 H GLN 32 20.210 -16.300 1.130 41 1HE2 GLN 32 2HE2 GLN 32 17.220 -13.700 5.290 42 2HE2 GLN 32 1HE2 GLN 32 16.260 -12.320 4.850 43 H ASP 33 H ASP 33 17.200 -17.480 -0.690 44 H GLY 34 H GLY 34 15.140 -16.670 -4.170 45 H VAL 35 H VAL 35 13.310 -17.160 -3.170 46 H VAL 36 H VAL 36 9.160 -18.370 -2.340 47 H PHE 37 H PHE 37 7.020 -14.470 -3.230 48 H GLN 38 H GLN 38 4.270 -14.920 -0.890 49 1HE2 GLN 38 2HE2 GLN 38 -1.870 -15.300 -2.700 50 2HE2 GLN 38 1HE2 GLN 38 -2.640 -14.910 -1.170 51 H ASN 39 H ASN 39 3.920 -11.380 -1.670 52 1HD2 ASN 39 2HD2 ASN 39 0.560 -7.260 -1.910 53 2HD2 ASN 39 1HD2 ASN 39 0.910 -6.020 -0.780 54 H ARG 40 H ARG 40 3.460 -11.850 1.390 55 HE ARG 40 HE ARG 40 4.840 -14.680 4.910 56 1HH1 ARG 40 2HH2 ARG 40 6.810 -15.290 2.040 57 2HH1 ARG 40 1HH2 ARG 40 7.350 -16.830 2.610 58 1HH2 ARG 40 2HH1 ARG 40 5.590 -16.670 5.620 59 2HH2 ARG 40 1HH1 ARG 40 6.670 -17.600 4.630 60 H GLU 41 H GLU 41 3.340 -9.550 2.940 61 H SER 42 H SER 42 1.140 -8.500 2.310 62 HG SER 42 HG SER 42 -3.150 -6.110 2.630 63 H VAL 43 H VAL 43 2.310 -5.850 1.560 64 H LEU 44 H LEU 44 2.630 -5.310 -0.280 65 H THR 46 H THR 46 0.250 -4.990 -4.030 66 HG1 THR 46 HG1 THR 46 2.910 -6.340 -6.990 67 H GLN 47 H GLN 47 0.030 -8.790 -5.240 68 1HE2 GLN 47 2HE2 GLN 47 -4.540 -10.230 -0.850 69 2HE2 GLN 47 1HE2 GLN 47 -6.160 -9.610 -1.070 70 H SER 48 H SER 48 -1.180 -10.110 -6.310 71 HG SER 48 HG SER 48 0.880 -10.990 -8.920 72 H TYR 49 H TYR 49 -0.730 -14.690 -6.800 73 HH TYR 49 HH TYR 49 3.210 -21.040 -2.640 74 H GLY 50 H GLY 50 3.250 -15.730 -5.080 75 H TYR 51 H TYR 51 3.150 -14.150 -7.360 76 HH TYR 51 HH TYR 51 2.290 -10.680 -14.520 77 H TYR 52 H TYR 52 5.690 -13.600 -6.470 78 HH TYR 52 HH TYR 52 3.270 -6.310 -4.640 79 H HIS 53 H HIS 53 9.190 -11.600 -4.860 80 HD1 HIS 53 HD1 HIS 53 9.560 -13.770 -8.020 81 HE2 HIS 53 HE2 HIS 53 8.960 -17.670 -7.270 82 H GLU 54 H GLU 54 11.830 -14.290 -2.710 83 H TYR 55 H TYR 55 14.640 -11.090 -1.430 84 HH TYR 55 HH TYR 55 14.370 -16.230 -7.050 85 H THR 56 H THR 56 16.810 -11.890 0.490 86 HG1 THR 56 HG1 THR 56 17.390 -11.110 3.910 87 H VAL 57 H VAL 57 19.030 -7.910 1.220 88 H ILE 58 H ILE 58 22.920 -9.070 0.010 89 H THR 59 H THR 59 25.380 -7.710 3.710 90 HG1 THR 59 HG1 THR 59 22.500 -4.210 3.750 91 H GLY 61 H GLY 61 30.070 -5.590 7.470 92 H ALA 62 H ALA 62 27.530 -6.730 8.180 93 H ARG 63 H ARG 63 25.750 -6.740 11.720 94 HE ARG 63 HE ARG 63 27.460 -5.860 13.280 95 1HH1 ARG 63 2HH2 ARG 63 25.810 -3.930 15.700 96 2HH1 ARG 63 1HH2 ARG 63 26.240 -2.420 14.970 97 1HH2 ARG 63 2HH1 ARG 63 27.950 -3.850 12.310 98 2HH2 ARG 63 1HH1 ARG 63 27.490 -2.380 13.110 99 H THR 64 H THR 64 23.700 -8.730 10.960 100 HG1 THR 64 HG1 THR 64 20.150 -8.980 11.590 101 H ARG 65 H ARG 65 21.070 -11.660 9.280 102 HE ARG 65 HE ARG 65 21.190 -14.790 7.650 103 1HH1 ARG 65 2HH2 ARG 65 17.910 -15.880 7.030 104 2HH1 ARG 65 1HH2 ARG 65 17.920 -17.060 8.290 105 1HH2 ARG 65 2HH1 ARG 65 21.180 -16.390 9.300 106 2HH2 ARG 65 1HH1 ARG 65 19.760 -17.330 9.550 107 H GLY 66 H GLY 66 20.990 -8.980 8.790 108 H THR 67 H THR 67 19.220 -5.320 8.290 109 HG1 THR 67 HG1 THR 67 17.690 -2.580 8.840 110 H ARG 68 H ARG 68 19.000 -5.380 5.660 111 HE ARG 68 HE ARG 68 21.220 -1.310 3.420 112 1HH1 ARG 68 2HH2 ARG 68 18.480 0.110 5.100 113 2HH1 ARG 68 1HH2 ARG 68 19.020 1.740 4.890 114 1HH2 ARG 68 2HH1 ARG 68 21.930 0.870 3.180 115 2HH2 ARG 68 1HH1 ARG 68 20.970 2.150 3.810 116 H ARG 69 H ARG 69 15.730 -5.460 3.400 117 HE ARG 69 HE ARG 69 12.340 -10.560 1.820 118 1HH1 ARG 69 2HH2 ARG 69 14.930 -11.960 3.720 119 2HH1 ARG 69 1HH2 ARG 69 13.890 -13.090 4.530 120 1HH2 ARG 69 2HH1 ARG 69 11.090 -12.210 2.860 121 2HH2 ARG 69 1HH1 ARG 69 11.880 -13.350 3.890 122 H ILE 70 H ILE 70 15.640 -8.430 -0.030 123 H ILE 71 H ILE 71 12.790 -6.560 -2.720 124 H THR 72 H THR 72 11.900 -9.890 -5.000 125 HG1 THR 72 HG1 THR 72 13.300 -11.490 -6.900 126 H GLY 73 H GLY 73 10.360 -8.420 -9.010 127 H GLU 74 H GLU 74 6.470 -10.120 -10.280 128 H ALA 75 H ALA 75 7.690 -8.460 -12.110 129 H THR 76 H THR 76 10.480 -7.840 -15.410 130 HG1 THR 76 HG1 THR 76 13.920 -9.200 -16.000 131 H GLN 77 H GLN 77 13.500 -5.910 -12.600 132 1HE2 GLN 77 2HE2 GLN 77 15.710 -4.050 -16.560 133 2HE2 GLN 77 1HE2 GLN 77 16.500 -2.520 -16.860 134 H GLU 78 H GLU 78 11.790 -5.360 -11.060 135 H ASP 79 H ASP 79 12.610 -3.720 -8.510 136 H TYR 80 H TYR 80 11.370 -5.290 -4.680 137 HH TYR 80 HH TYR 80 5.580 -3.660 -7.130 138 H TYR 81 H TYR 81 12.360 -1.700 -2.050 139 HH TYR 81 HH TYR 81 19.930 -1.030 1.870 140 H THR 82 H THR 82 13.800 -3.930 1.330 141 HG1 THR 82 HG1 THR 82 13.370 -5.370 4.930 142 H GLY 83 H GLY 83 15.260 -3.270 3.630 143 H ASP 84 H ASP 84 13.870 -2.520 5.820 144 H HIS 85 H HIS 85 14.250 -4.410 6.580 145 HD1 HIS 85 HD1 HIS 85 12.290 -8.540 9.930 146 HE2 HIS 85 HE2 HIS 85 15.010 -11.080 8.340 147 H TYR 86 H TYR 86 11.920 -6.310 5.420 148 HH TYR 86 HH TYR 86 8.750 -12.750 3.290 149 H ALA 87 H ALA 87 10.810 -4.160 7.060 150 H THR 88 H THR 88 9.810 -2.870 5.310 151 HG1 THR 88 HG1 THR 88 11.950 0.330 5.360 152 H PHE 89 H PHE 89 8.960 -0.090 2.110 153 H SER 90 H SER 90 11.500 -0.650 -0.400 154 HG SER 90 HG SER 90 12.180 2.900 0.650 155 H LEU 91 H LEU 91 10.030 0.840 -4.100 156 H ILE 92 H ILE 92 13.230 -0.990 -7.070 157 H ASP 93 H ASP 93 16.060 2.390 -7.410 158 H GLN 94 H GLN 94 16.640 1.150 -11.230 159 1HE2 GLN 94 2HE2 GLN 94 15.590 -0.860 -10.610 160 2HE2 GLN 94 1HE2 GLN 94 14.820 -1.520 -12.010 161 H THR 95 H THR 95 17.390 3.430 -12.230 162 HG1 THR 95 HG1 THR 95 16.460 6.640 -15.320 163 H CYS 96 H CYS 96 17.650 5.400 -11.091 Start of MODEL 13 1 1H ASP 1 1H ASP 1 1.460 0.860 0.510 2 2H ASP 1 2H ASP 1 0.360 -0.210 -0.010 3 3H ASP 1 3H ASP 1 1.740 -0.730 0.730 4 H VAL 2 H VAL 2 2.790 0.710 -3.520 5 H SER 3 H SER 3 -1.240 1.920 -5.430 6 HG SER 3 HG SER 3 -4.840 0.820 -4.570 7 H GLY 4 H GLY 4 -0.010 0.720 -7.530 8 H THR 5 H THR 5 0.540 0.490 -11.890 9 HG1 THR 5 HG1 THR 5 3.360 1.030 -13.420 10 H VAL 6 H VAL 6 0.330 4.850 -13.210 11 H CYS 7 H CYS 7 -2.360 4.560 -16.230 12 H LEU 8 H LEU 8 0.160 7.740 -18.490 13 H SER 9 H SER 9 -1.950 8.550 -20.120 14 HG SER 9 HG SER 9 -4.920 8.450 -23.430 15 H ALA 10 H ALA 10 -3.870 8.250 -18.230 16 H LEU 11 H LEU 11 -4.240 9.830 -16.690 17 H GLU 14 H GLU 14 -4.520 17.950 -16.420 18 H ALA 15 H ALA 15 -3.070 16.200 -15.300 19 H THR 16 H THR 16 -0.550 16.210 -16.660 20 HG1 THR 16 HG1 THR 16 2.290 14.810 -19.640 21 H ASP 17 H ASP 17 0.510 18.370 -15.910 22 H THR 18 H THR 18 1.740 18.750 -13.240 23 HG1 THR 18 HG1 THR 18 2.020 18.580 -9.600 24 H LEU 19 H LEU 19 3.800 16.450 -13.760 25 H ASN 20 H ASN 20 5.180 17.970 -15.760 26 1HD2 ASN 20 2HD2 ASN 20 4.380 20.080 -19.190 27 2HD2 ASN 20 1HD2 ASN 20 5.540 20.180 -20.490 28 H LEU 21 H LEU 21 6.180 19.880 -14.210 29 H ILE 22 H ILE 22 7.850 18.400 -12.590 30 H ALA 23 H ALA 23 9.600 17.740 -14.540 31 H SER 24 H SER 24 10.490 20.050 -15.760 32 HG SER 24 HG SER 24 10.480 22.870 -18.530 33 H ASP 25 H ASP 25 12.170 20.410 -13.620 34 H GLY 26 H GLY 26 10.350 22.520 -12.870 35 H PHE 28 H PHE 28 7.710 26.480 -10.250 36 H TYR 30 H TYR 30 1.440 25.350 -8.470 37 HH TYR 30 HH TYR 30 -5.290 24.280 -8.230 38 H SER 31 H SER 31 1.640 26.970 -4.110 39 HG SER 31 HG SER 31 3.260 29.190 -1.680 40 H GLN 32 H GLN 32 2.610 24.380 -4.450 41 1HE2 GLN 32 2HE2 GLN 32 0.850 21.140 0.060 42 2HE2 GLN 32 1HE2 GLN 32 -0.800 21.220 -0.500 43 H ASP 33 H ASP 33 5.950 22.980 -3.260 44 H GLY 34 H GLY 34 9.150 20.730 -4.770 45 H VAL 35 H VAL 35 9.320 19.980 -2.650 46 H VAL 36 H VAL 36 10.840 18.270 1.050 47 H PHE 37 H PHE 37 9.810 13.920 0.220 48 H GLN 38 H GLN 38 9.120 13.010 3.900 49 1HE2 GLN 38 2HE2 GLN 38 12.310 7.820 6.150 50 2HE2 GLN 38 1HE2 GLN 38 11.440 7.630 7.650 51 H ASN 39 H ASN 39 8.090 10.090 2.130 52 1HD2 ASN 39 2HD2 ASN 39 6.980 4.760 2.890 53 2HD2 ASN 39 1HD2 ASN 39 8.160 4.780 4.160 54 H ARG 40 H ARG 40 5.960 10.640 4.510 55 HE ARG 40 HE ARG 40 5.130 14.630 5.320 56 1HH1 ARG 40 2HH2 ARG 40 8.330 13.600 6.320 57 2HH1 ARG 40 1HH2 ARG 40 8.860 15.200 6.750 58 1HH2 ARG 40 2HH1 ARG 40 5.810 16.710 6.020 59 2HH2 ARG 40 1HH1 ARG 40 7.420 16.910 6.630 60 H GLU 41 H GLU 41 3.550 9.070 4.380 61 H SER 42 H SER 42 4.480 6.610 5.000 62 HG SER 42 HG SER 42 4.640 2.150 6.980 63 H VAL 43 H VAL 43 3.130 5.290 2.680 64 H LEU 44 H LEU 44 4.330 4.820 1.110 65 H THR 46 H THR 46 8.300 3.340 0.180 66 HG1 THR 46 HG1 THR 46 8.050 6.100 1.300 67 H GLN 47 H GLN 47 12.190 4.670 1.550 68 1HE2 GLN 47 2HE2 GLN 47 17.480 0.550 0.750 69 2HE2 GLN 47 1HE2 GLN 47 17.060 -0.950 -0.040 70 H SER 48 H SER 48 14.210 5.130 0.890 71 HG SER 48 HG SER 48 16.650 6.230 -0.960 72 H TYR 49 H TYR 49 16.710 8.050 3.120 73 HH TYR 49 HH TYR 49 13.950 15.040 7.190 74 H GLY 50 H GLY 50 14.020 11.690 2.570 75 H TYR 51 H TYR 51 14.140 10.180 0.280 76 HH TYR 51 HH TYR 51 18.780 6.180 -4.720 77 H TYR 52 H TYR 52 12.500 11.870 -1.390 78 HH TYR 52 HH TYR 52 8.110 5.290 -1.380 79 H HIS 53 H HIS 53 9.100 12.890 -3.680 80 HD1 HIS 53 HD1 HIS 53 12.320 14.130 -4.890 81 HE2 HIS 53 HE2 HIS 53 14.140 16.630 -2.320 82 H GLU 54 H GLU 54 7.750 16.990 -2.730 83 H TYR 55 H TYR 55 3.990 16.810 -5.080 84 HH TYR 55 HH TYR 55 11.180 19.060 -6.320 85 H THR 56 H THR 56 2.210 19.280 -4.930 86 HG1 THR 56 HG1 THR 56 -0.650 19.840 -3.320 87 H VAL 57 H VAL 57 -0.650 17.530 -7.810 88 H ILE 58 H ILE 58 -1.050 20.960 -10.470 89 H THR 59 H THR 59 -5.550 21.830 -9.970 90 HG1 THR 59 HG1 THR 59 -6.260 17.820 -8.830 91 H GLY 61 H GLY 61 -11.300 23.540 -12.340 92 H ALA 62 H ALA 62 -10.220 23.300 -9.690 93 H ARG 63 H ARG 63 -12.040 24.040 -6.300 94 HE ARG 63 HE ARG 63 -15.680 27.820 -4.220 95 1HH1 ARG 63 2HH2 ARG 63 -13.820 29.390 -1.670 96 2HH1 ARG 63 1HH2 ARG 63 -15.160 30.340 -1.120 97 1HH2 ARG 63 2HH1 ARG 63 -17.400 29.100 -3.450 98 2HH2 ARG 63 1HH1 ARG 63 -17.140 30.180 -2.130 99 H THR 64 H THR 64 -9.480 24.240 -4.690 100 HG1 THR 64 HG1 THR 64 -8.420 23.330 -1.160 101 H ARG 65 H ARG 65 -5.730 24.220 -2.860 102 HE ARG 65 HE ARG 65 -3.240 25.260 -1.740 103 1HH1 ARG 65 2HH2 ARG 65 -0.210 24.150 -0.320 104 2HH1 ARG 65 1HH2 ARG 65 -0.200 25.350 0.920 105 1HH2 ARG 65 2HH1 ARG 65 -3.190 26.820 -0.150 106 2HH2 ARG 65 1HH1 ARG 65 -1.930 26.860 1.030 107 H GLY 66 H GLY 66 -7.200 22.070 -3.570 108 H THR 67 H THR 67 -8.650 18.080 -3.440 109 HG1 THR 67 HG1 THR 67 -9.550 14.800 -4.190 110 H ARG 68 H ARG 68 -6.730 17.070 -5.410 111 HE ARG 68 HE ARG 68 -6.200 16.480 -10.510 112 1HH1 ARG 68 2HH2 ARG 68 -8.450 14.180 -9.140 113 2HH1 ARG 68 1HH2 ARG 68 -9.580 14.300 -10.450 114 1HH2 ARG 68 2HH1 ARG 68 -7.730 16.650 -12.210 115 2HH2 ARG 68 1HH1 ARG 68 -9.170 15.690 -12.160 116 H ARG 69 H ARG 69 -2.890 14.750 -6.280 117 HE ARG 69 HE ARG 69 1.970 15.460 -1.580 118 1HH1 ARG 69 2HH2 ARG 69 0.630 18.690 -2.030 119 2HH1 ARG 69 1HH2 ARG 69 1.270 19.270 -0.520 120 1HH2 ARG 69 2HH1 ARG 69 2.670 16.270 0.410 121 2HH2 ARG 69 1HH1 ARG 69 2.480 17.960 0.790 122 H ILE 70 H ILE 70 1.130 15.770 -5.920 123 H ILE 71 H ILE 71 3.280 12.040 -6.690 124 H THR 72 H THR 72 7.140 13.080 -5.490 125 HG1 THR 72 HG1 THR 72 9.210 14.840 -7.230 126 H GLY 73 H GLY 73 9.850 10.220 -7.720 127 H GLU 74 H GLU 74 13.320 8.890 -5.230 128 H ALA 75 H ALA 75 13.630 8.280 -7.790 129 H THR 76 H THR 76 14.760 9.150 -11.840 130 HG1 THR 76 HG1 THR 76 14.390 11.720 -14.220 131 H GLN 77 H GLN 77 10.390 9.380 -13.210 132 1HE2 GLN 77 2HE2 GLN 77 11.010 8.270 -17.560 133 2HE2 GLN 77 1HE2 GLN 77 10.620 7.110 -18.800 134 H GLU 78 H GLU 78 9.350 8.560 -11.320 135 H ASP 79 H ASP 79 6.420 8.530 -11.090 136 H TYR 80 H TYR 80 4.900 9.190 -7.680 137 HH TYR 80 HH TYR 80 7.500 4.220 -5.090 138 H TYR 81 H TYR 81 0.460 8.280 -7.130 139 HH TYR 81 HH TYR 81 -5.570 13.680 -10.680 140 H THR 82 H THR 82 -1.700 11.420 -5.870 141 HG1 THR 82 HG1 THR 82 -4.120 11.880 -2.130 142 H GLY 83 H GLY 83 -4.080 12.630 -5.660 143 H ASP 84 H ASP 84 -5.920 11.870 -3.880 144 H HIS 85 H HIS 85 -5.870 13.780 -2.610 145 HD1 HIS 85 HD1 HIS 85 -5.510 15.100 2.870 146 HE2 HIS 85 HE2 HIS 85 -4.110 18.650 1.520 147 H TYR 86 H TYR 86 -3.080 13.030 -0.760 148 HH TYR 86 HH TYR 86 2.950 15.070 2.110 149 H ALA 87 H ALA 87 -4.470 10.110 -0.920 150 H THR 88 H THR 88 -4.450 8.480 -2.220 151 HG1 THR 88 HG1 THR 88 -6.120 7.650 -5.140 152 H PHE 89 H PHE 89 -2.540 5.210 -4.440 153 H SER 90 H SER 90 -0.950 6.890 -7.240 154 HG SER 90 HG SER 90 -3.660 4.630 -8.770 155 H LEU 91 H LEU 91 1.840 4.280 -9.140 156 H ILE 92 H ILE 92 3.980 7.290 -12.140 157 H ASP 93 H ASP 93 1.630 6.460 -15.730 158 H GLN 94 H GLN 94 4.820 7.670 -17.850 159 1HE2 GLN 94 2HE2 GLN 94 6.290 8.840 -16.020 160 2HE2 GLN 94 1HE2 GLN 94 7.910 8.340 -16.410 161 H THR 95 H THR 95 5.170 6.600 -20.470 162 HG1 THR 95 HG1 THR 95 5.370 2.890 -23.020 163 H CYS 96 H CYS 96 2.410 5.780 -20.541 Start of MODEL 14 1 1H ASP 1 1H ASP 1 1.370 -0.890 0.460 2 2H ASP 1 2H ASP 1 1.530 0.700 0.660 3 3H ASP 1 3H ASP 1 0.250 0.100 -0.190 4 H VAL 2 H VAL 2 4.030 -0.120 -2.840 5 H SER 3 H SER 3 6.600 1.820 0.190 6 HG SER 3 HG SER 3 7.620 3.660 2.850 7 H GLY 4 H GLY 4 8.130 2.640 -1.920 8 H THR 5 H THR 5 12.250 3.800 -2.930 9 HG1 THR 5 HG1 THR 5 13.700 2.270 -5.570 10 H VAL 6 H VAL 6 14.840 0.530 -1.170 11 H CYS 7 H CYS 7 17.600 2.970 0.400 12 H LEU 8 H LEU 8 20.650 -0.210 -0.830 13 H SER 9 H SER 9 22.650 0.400 1.010 14 HG SER 9 HG SER 9 25.780 2.850 3.140 15 H ALA 10 H ALA 10 20.880 1.050 2.980 16 H LEU 11 H LEU 11 20.070 -0.690 4.180 17 H GLU 14 H GLU 14 22.420 -7.660 7.620 18 H ALA 15 H ALA 15 21.370 -7.260 5.340 19 H THR 16 H THR 16 21.970 -7.020 2.730 20 HG1 THR 16 HG1 THR 16 24.410 -6.660 -0.750 21 H ASP 17 H ASP 17 22.110 -9.860 2.930 22 H THR 18 H THR 18 19.630 -11.520 2.480 23 HG1 THR 18 HG1 THR 18 16.230 -12.490 2.990 24 H LEU 19 H LEU 19 19.170 -10.330 -0.310 25 H ASN 20 H ASN 20 21.530 -11.550 -1.350 26 1HD2 ASN 20 2HD2 ASN 20 25.580 -11.970 -0.440 27 2HD2 ASN 20 1HD2 ASN 20 26.790 -12.130 -1.690 28 H LEU 21 H LEU 21 20.720 -14.040 -1.310 29 H ILE 22 H ILE 22 18.760 -13.980 -3.130 30 H ALA 23 H ALA 23 20.170 -13.440 -5.290 31 H SER 24 H SER 24 22.030 -15.340 -5.420 32 HG SER 24 HG SER 24 25.710 -17.630 -4.750 33 H ASP 25 H ASP 25 20.290 -17.040 -6.430 34 H GLY 26 H GLY 26 20.440 -18.400 -3.900 35 H PHE 28 H PHE 28 19.610 -21.890 0.200 36 H TYR 30 H TYR 30 18.100 -18.920 5.750 37 HH TYR 30 HH TYR 30 16.300 -15.190 11.850 38 H SER 31 H SER 31 14.400 -21.270 7.360 39 HG SER 31 HG SER 31 12.790 -24.900 7.240 40 H GLN 32 H GLN 32 13.660 -19.590 5.260 41 1HE2 GLN 32 2HE2 GLN 32 11.700 -17.470 7.490 42 2HE2 GLN 32 1HE2 GLN 32 10.960 -16.070 8.200 43 H ASP 33 H ASP 33 11.790 -20.310 2.060 44 H GLY 34 H GLY 34 12.200 -19.240 -1.970 45 H VAL 35 H VAL 35 9.990 -19.410 -2.030 46 H VAL 36 H VAL 36 5.860 -19.830 -3.380 47 H PHE 37 H PHE 37 4.980 -15.450 -4.210 48 H GLN 38 H GLN 38 1.300 -15.640 -3.070 49 1HE2 GLN 38 2HE2 GLN 38 -3.410 -16.160 -6.450 50 2HE2 GLN 38 1HE2 GLN 38 -4.630 -14.990 -5.990 51 H ASN 39 H ASN 39 1.820 -12.150 -3.530 52 1HD2 ASN 39 2HD2 ASN 39 -0.290 -7.510 -4.740 53 2HD2 ASN 39 1HD2 ASN 39 -0.800 -6.560 -3.420 54 H ARG 40 H ARG 40 -0.070 -12.420 -0.880 55 HE ARG 40 HE ARG 40 0.790 -15.580 1.770 56 1HH1 ARG 40 2HH2 ARG 40 -0.310 -16.600 -1.370 57 2HH1 ARG 40 1HH2 ARG 40 -0.030 -18.290 -1.110 58 1HH2 ARG 40 2HH1 ARG 40 1.050 -17.830 2.180 59 2HH2 ARG 40 1HH1 ARG 40 0.710 -18.970 0.930 60 H GLU 41 H GLU 41 -0.570 -10.120 0.570 61 H SER 42 H SER 42 -2.170 -8.780 -1.060 62 HG SER 42 HG SER 42 -5.770 -5.730 -2.540 63 H VAL 43 H VAL 43 -0.420 -6.370 -1.160 64 H LEU 44 H LEU 44 0.850 -5.990 -2.600 65 H THR 46 H THR 46 0.580 -6.180 -7.170 66 HG1 THR 46 HG1 THR 46 1.050 -9.160 -5.840 67 H GLN 47 H GLN 47 0.280 -9.390 -10.110 68 1HE2 GLN 47 2HE2 GLN 47 -0.250 -8.680 -16.680 69 2HE2 GLN 47 1HE2 GLN 47 0.590 -7.250 -17.260 70 H SER 48 H SER 48 1.140 -10.460 -11.800 71 HG SER 48 HG SER 48 3.280 -12.020 -13.950 72 H TYR 49 H TYR 49 -0.050 -14.740 -12.260 73 HH TYR 49 HH TYR 49 -0.790 -21.290 -6.760 74 H GLY 50 H GLY 50 2.130 -15.940 -8.440 75 H TYR 51 H TYR 51 3.580 -14.200 -9.710 76 HH TYR 51 HH TYR 51 6.600 -6.470 -11.080 77 H TYR 52 H TYR 52 5.540 -14.330 -7.600 78 HH TYR 52 HH TYR 52 3.080 -6.880 -6.450 79 H HIS 53 H HIS 53 8.280 -12.980 -4.680 80 HD1 HIS 53 HD1 HIS 53 9.730 -14.910 -7.300 81 HE2 HIS 53 HE2 HIS 53 8.230 -18.640 -7.590 82 H GLU 54 H GLU 54 8.920 -16.140 -1.660 83 H TYR 55 H TYR 55 11.140 -13.570 1.230 84 HH TYR 55 HH TYR 55 13.010 -18.230 -4.540 85 H THR 56 H THR 56 12.050 -14.990 3.790 86 HG1 THR 56 HG1 THR 56 10.800 -14.360 7.100 87 H VAL 57 H VAL 57 13.990 -11.320 5.560 88 H ILE 58 H ILE 58 17.820 -13.280 5.920 89 H THR 59 H THR 59 18.710 -13.260 10.520 90 HG1 THR 59 HG1 THR 59 16.870 -9.170 10.150 91 H GLY 61 H GLY 61 21.420 -12.940 16.440 92 H ALA 62 H ALA 62 18.730 -13.380 15.560 93 H ARG 63 H ARG 63 15.680 -13.470 18.030 94 HE ARG 63 HE ARG 63 13.120 -14.080 22.430 95 1HH1 ARG 63 2HH2 ARG 63 14.870 -11.060 22.160 96 2HH1 ARG 63 1HH2 ARG 63 13.960 -10.250 23.400 97 1HH2 ARG 63 2HH1 ARG 63 11.920 -12.990 24.070 98 2HH2 ARG 63 1HH1 ARG 63 12.310 -11.350 24.460 99 H THR 64 H THR 64 13.810 -14.890 16.130 100 HG1 THR 64 HG1 THR 64 10.130 -14.760 15.730 101 H ARG 65 H ARG 65 11.350 -16.240 13.280 102 HE ARG 65 HE ARG 65 10.130 -18.750 11.850 103 1HH1 ARG 65 2HH2 ARG 65 8.160 -18.860 8.920 104 2HH1 ARG 65 1HH2 ARG 65 6.860 -19.700 9.690 105 1HH2 ARG 65 2HH1 ARG 65 8.430 -19.830 12.810 106 2HH2 ARG 65 1HH1 ARG 65 7.010 -20.220 11.900 107 H GLY 66 H GLY 66 11.810 -13.880 13.520 108 H THR 67 H THR 67 10.400 -10.030 13.210 109 HG1 THR 67 HG1 THR 67 10.020 -6.600 12.620 110 H ARG 68 H ARG 68 11.860 -9.150 10.760 111 HE ARG 68 HE ARG 68 16.160 -7.640 10.930 112 1HH1 ARG 68 2HH2 ARG 68 13.670 -6.150 12.880 113 2HH1 ARG 68 1HH2 ARG 68 14.780 -5.560 14.070 114 1HH2 ARG 68 2HH1 ARG 68 17.590 -6.920 12.520 115 2HH2 ARG 68 1HH1 ARG 68 16.990 -5.980 13.850 116 H ARG 69 H ARG 69 11.190 -8.540 6.400 117 HE ARG 69 HE ARG 69 6.640 -12.910 4.540 118 1HH1 ARG 69 2HH2 ARG 69 9.080 -15.380 4.260 119 2HH1 ARG 69 1HH2 ARG 69 7.960 -16.640 3.840 120 1HH2 ARG 69 2HH1 ARG 69 5.170 -14.610 4.110 121 2HH2 ARG 69 1HH1 ARG 69 5.770 -16.220 3.950 122 H ILE 70 H ILE 70 11.830 -11.280 3.330 123 H ILE 71 H ILE 71 10.730 -8.730 -0.100 124 H THR 72 H THR 72 10.600 -11.680 -2.890 125 HG1 THR 72 HG1 THR 72 12.880 -13.240 -4.110 126 H GLY 73 H GLY 73 11.380 -9.890 -6.970 127 H GLU 74 H GLU 74 8.660 -11.660 -10.030 128 H ALA 75 H ALA 75 10.480 -9.890 -11.050 129 H THR 76 H THR 76 14.450 -8.980 -12.630 130 HG1 THR 76 HG1 THR 76 17.800 -10.120 -11.880 131 H GLN 77 H GLN 77 15.800 -7.090 -8.700 132 1HE2 GLN 77 2HE2 GLN 77 18.900 -4.420 -12.050 133 2HE2 GLN 77 1HE2 GLN 77 19.730 -2.940 -11.610 134 H GLU 78 H GLU 78 13.680 -6.770 -7.760 135 H ASP 79 H ASP 79 13.240 -5.520 -5.080 136 H TYR 80 H TYR 80 10.490 -6.940 -2.590 137 HH TYR 80 HH TYR 80 7.130 -4.410 -7.210 138 H TYR 81 H TYR 81 11.050 -3.940 0.760 139 HH TYR 81 HH TYR 81 13.900 -4.510 8.650 140 H THR 82 H THR 82 10.120 -6.370 4.270 141 HG1 THR 82 HG1 THR 82 7.190 -7.160 7.170 142 H GLY 83 H GLY 83 10.320 -6.410 6.950 143 H ASP 84 H ASP 84 8.500 -5.260 8.520 144 H HIS 85 H HIS 85 8.010 -7.360 9.170 145 HD1 HIS 85 HD1 HIS 85 3.410 -10.530 10.270 146 HE2 HIS 85 HE2 HIS 85 5.830 -13.760 9.890 147 H TYR 86 H TYR 86 6.040 -8.560 6.690 148 HH TYR 86 HH TYR 86 5.430 -12.760 2.080 149 H ALA 87 H ALA 87 5.120 -5.710 7.510 150 H THR 88 H THR 88 5.370 -4.150 5.940 151 HG1 THR 88 HG1 THR 88 7.830 -1.430 6.980 152 H PHE 89 H PHE 89 6.440 -1.240 2.930 153 H SER 90 H SER 90 9.750 -2.460 1.590 154 HG SER 90 HG SER 90 10.640 0.700 3.400 155 H LEU 91 H LEU 91 10.470 -0.730 -2.080 156 H ILE 92 H ILE 92 14.250 -3.350 -3.310 157 H ASP 93 H ASP 93 17.370 -0.500 -2.270 158 H GLN 94 H GLN 94 19.640 -2.400 -5.010 159 1HE2 GLN 94 2HE2 GLN 94 21.160 -6.610 -6.370 160 2HE2 GLN 94 1HE2 GLN 94 20.160 -6.140 -7.720 161 H THR 95 H THR 95 21.610 -0.850 -6.200 162 HG1 THR 95 HG1 THR 95 22.740 2.880 -8.460 163 H CYS 96 H CYS 96 21.610 1.090 -4.131 Start of MODEL 15 1 1H ASP 1 1H ASP 1 1.700 -0.640 0.620 2 2H ASP 1 2H ASP 1 1.250 0.910 0.440 3 3H ASP 1 3H ASP 1 0.320 -0.320 -0.170 4 H VAL 2 H VAL 2 4.190 -0.140 -2.600 5 H SER 3 H SER 3 5.940 3.460 -0.690 6 HG SER 3 HG SER 3 4.290 7.590 -0.380 7 H GLY 4 H GLY 4 7.480 3.600 -2.850 8 H THR 5 H THR 5 11.300 5.020 -4.480 9 HG1 THR 5 HG1 THR 5 13.100 2.660 -6.160 10 H VAL 6 H VAL 6 14.450 3.550 -1.600 11 H CYS 7 H CYS 7 16.570 6.960 -1.470 12 H LEU 8 H LEU 8 20.300 4.230 -1.240 13 H SER 9 H SER 9 21.860 6.190 0.040 14 HG SER 9 HG SER 9 24.020 10.060 0.600 15 H ALA 10 H ALA 10 19.900 7.360 1.360 16 H LEU 11 H LEU 11 19.330 6.100 3.200 17 H GLU 14 H GLU 14 21.980 3.000 10.570 18 H ALA 15 H ALA 15 21.180 1.760 8.660 19 H THR 16 H THR 16 22.280 0.900 6.810 20 HG1 THR 16 HG1 THR 16 25.000 0.790 3.530 21 H ASP 17 H ASP 17 23.030 -1.340 8.050 22 H THR 18 H THR 18 21.190 -3.630 8.160 23 HG1 THR 18 HG1 THR 18 18.350 -4.350 8.970 24 H LEU 19 H LEU 19 20.810 -3.880 5.180 25 H ASN 20 H ASN 20 23.490 -4.860 4.990 26 1HD2 ASN 20 2HD2 ASN 20 27.300 -3.620 5.890 27 2HD2 ASN 20 1HD2 ASN 20 28.650 -3.920 4.810 28 H LEU 21 H LEU 21 23.400 -7.130 6.240 29 H ILE 22 H ILE 22 21.670 -8.420 4.580 30 H ALA 23 H ALA 23 23.220 -8.620 2.440 31 H SER 24 H SER 24 25.440 -9.790 3.210 32 HG SER 24 HG SER 24 29.210 -10.540 5.190 33 H ASP 25 H ASP 25 24.180 -12.070 3.170 34 H GLY 26 H GLY 26 24.140 -12.300 5.900 35 H PHE 28 H PHE 28 23.140 -13.550 11.070 36 H TYR 30 H TYR 30 20.870 -8.420 14.360 37 HH TYR 30 HH TYR 30 15.870 -4.460 18.990 38 H SER 31 H SER 31 17.400 -10.110 16.990 39 HG SER 31 HG SER 31 16.250 -13.960 18.760 40 H GLN 32 H GLN 32 16.590 -10.210 14.450 41 1HE2 GLN 32 2HE2 GLN 32 11.770 -9.940 11.450 42 2HE2 GLN 32 1HE2 GLN 32 10.990 -8.380 11.200 43 H ASP 33 H ASP 33 15.300 -12.870 12.150 44 H GLY 34 H GLY 34 15.800 -13.800 8.110 45 H VAL 35 H VAL 35 13.710 -14.560 7.920 46 H VAL 36 H VAL 36 9.910 -16.540 7.080 47 H PHE 37 H PHE 37 8.290 -13.620 4.020 48 H GLN 38 H GLN 38 4.740 -14.080 4.890 49 1HE2 GLN 38 2HE2 GLN 38 0.840 -16.510 0.310 50 2HE2 GLN 38 1HE2 GLN 38 -0.700 -16.020 0.950 51 H ASN 39 H ASN 39 4.560 -11.150 2.860 52 1HD2 ASN 39 2HD2 ASN 39 1.580 -8.270 -0.390 53 2HD2 ASN 39 1HD2 ASN 39 0.870 -6.890 0.290 54 H ARG 40 H ARG 40 2.540 -10.780 5.290 55 HE ARG 40 HE ARG 40 4.810 -10.970 8.800 56 1HH1 ARG 40 2HH2 ARG 40 2.250 -13.280 8.730 57 2HH1 ARG 40 1HH2 ARG 40 2.580 -13.990 10.270 58 1HH2 ARG 40 2HH1 ARG 40 5.310 -11.860 10.880 59 2HH2 ARG 40 1HH1 ARG 40 4.340 -13.160 11.480 60 H GLU 41 H GLU 41 1.350 -8.270 5.390 61 H SER 42 H SER 42 -0.240 -8.240 3.450 62 HG SER 42 HG SER 42 -4.250 -7.160 0.750 63 H VAL 43 H VAL 43 0.970 -5.830 2.160 64 H LEU 44 H LEU 44 2.320 -5.790 0.840 65 H THR 46 H THR 46 2.730 -8.090 -3.180 66 HG1 THR 46 HG1 THR 46 1.810 -11.170 -1.960 67 H GLN 47 H GLN 47 3.530 -12.050 -4.360 68 1HE2 GLN 47 2HE2 GLN 47 4.970 -13.690 -10.710 69 2HE2 GLN 47 1HE2 GLN 47 4.410 -12.520 -11.890 70 H SER 48 H SER 48 4.890 -13.560 -5.130 71 HG SER 48 HG SER 48 7.510 -15.470 -6.250 72 H TYR 49 H TYR 49 4.520 -17.720 -3.660 73 HH TYR 49 HH TYR 49 4.970 -20.400 4.370 74 H GLY 50 H GLY 50 6.020 -16.700 0.550 75 H TYR 51 H TYR 51 7.420 -15.390 -1.320 76 HH TYR 51 HH TYR 51 11.100 -15.430 -8.330 77 H TYR 52 H TYR 52 9.040 -14.070 0.570 78 HH TYR 52 HH TYR 52 5.460 -7.300 -2.080 79 H HIS 53 H HIS 53 11.130 -10.890 2.470 80 HD1 HIS 53 HD1 HIS 53 13.040 -13.480 1.210 81 HE2 HIS 53 HE2 HIS 53 12.380 -17.130 2.780 82 H GLU 54 H GLU 54 11.900 -11.910 6.690 83 H TYR 55 H TYR 55 13.380 -7.820 7.740 84 HH TYR 55 HH TYR 55 16.710 -14.230 5.270 85 H THR 56 H THR 56 14.060 -7.590 10.650 86 HG1 THR 56 HG1 THR 56 12.520 -5.010 13.330 87 H VAL 57 H VAL 57 15.380 -3.220 10.650 88 H ILE 58 H ILE 58 19.250 -3.610 12.570 89 H THR 59 H THR 59 18.480 -0.680 16.130 90 HG1 THR 59 HG1 THR 59 15.970 1.720 13.450 91 H GLY 61 H GLY 61 20.280 3.780 20.390 92 H ALA 62 H ALA 62 17.970 2.320 19.960 93 H ARG 63 H ARG 63 14.800 2.320 22.280 94 HE ARG 63 HE ARG 63 12.830 4.100 27.090 95 1HH1 ARG 63 2HH2 ARG 63 11.380 2.380 24.420 96 2HH1 ARG 63 1HH2 ARG 63 9.810 2.260 25.160 97 1HH2 ARG 63 2HH1 ARG 63 10.780 3.940 28.060 98 2HH2 ARG 63 1HH1 ARG 63 9.500 3.150 27.220 99 H THR 64 H THR 64 13.810 -0.330 21.340 100 HG1 THR 64 HG1 THR 64 10.430 -1.980 21.470 101 H ARG 65 H ARG 65 12.360 -3.760 19.660 102 HE ARG 65 HE ARG 65 10.560 -5.710 15.740 103 1HH1 ARG 65 2HH2 ARG 65 11.390 -8.950 16.680 104 2HH1 ARG 65 1HH2 ARG 65 9.750 -9.510 16.810 105 1HH2 ARG 65 2HH1 ARG 65 8.400 -6.420 15.900 106 2HH2 ARG 65 1HH1 ARG 65 8.050 -8.050 16.350 107 H GLY 66 H GLY 66 11.980 -1.310 18.920 108 H THR 67 H THR 67 11.040 1.500 15.480 109 HG1 THR 67 HG1 THR 67 9.590 3.920 14.020 110 H ARG 68 H ARG 68 12.020 1.130 13.660 111 HE ARG 68 HE ARG 68 16.600 2.870 12.380 112 1HH1 ARG 68 2HH2 ARG 68 14.150 5.310 12.360 113 2HH1 ARG 68 1HH2 ARG 68 15.240 6.630 12.640 114 1HH2 ARG 68 2HH1 ARG 68 18.050 4.550 12.800 115 2HH2 ARG 68 1HH1 ARG 68 17.470 6.180 12.870 116 H ARG 69 H ARG 69 12.530 -0.740 9.540 117 HE ARG 69 HE ARG 69 9.610 -7.000 9.400 118 1HH1 ARG 69 2HH2 ARG 69 10.130 -5.890 12.700 119 2HH1 ARG 69 1HH2 ARG 69 8.810 -6.800 13.350 120 1HH2 ARG 69 2HH1 ARG 69 7.940 -8.220 10.350 121 2HH2 ARG 69 1HH1 ARG 69 7.710 -8.200 12.060 122 H ILE 70 H ILE 70 13.230 -4.670 8.290 123 H ILE 71 H ILE 71 12.010 -4.370 4.190 124 H THR 72 H THR 72 12.880 -8.330 3.330 125 HG1 THR 72 HG1 THR 72 15.360 -9.950 3.140 126 H GLY 73 H GLY 73 13.720 -8.700 -1.110 127 H GLU 74 H GLU 74 11.560 -11.860 -3.340 128 H ALA 75 H ALA 75 13.580 -10.880 -4.590 129 H THR 76 H THR 76 17.690 -10.370 -5.730 130 HG1 THR 76 HG1 THR 76 20.820 -9.890 -4.310 131 H GLN 77 H GLN 77 17.820 -6.260 -3.690 132 1HE2 GLN 77 2HE2 GLN 77 20.520 -5.400 -8.360 133 2HE2 GLN 77 1HE2 GLN 77 21.010 -3.770 -8.770 134 H GLU 78 H GLU 78 15.610 -5.960 -3.090 135 H ASP 79 H ASP 79 14.680 -3.810 -1.550 136 H TYR 80 H TYR 80 11.820 -4.280 1.170 137 HH TYR 80 HH TYR 80 8.570 -5.110 -4.070 138 H TYR 81 H TYR 81 11.370 0.070 2.450 139 HH TYR 81 HH TYR 81 15.680 2.610 9.520 140 H THR 82 H THR 82 10.630 -0.440 6.730 141 HG1 THR 82 HG1 THR 82 7.630 -0.420 9.660 142 H GLY 83 H GLY 83 10.440 0.930 9.050 143 H ASP 84 H ASP 84 8.190 2.160 9.730 144 H HIS 85 H HIS 85 8.000 0.750 11.250 145 HD1 HIS 85 HD1 HIS 85 4.060 -2.240 14.110 146 HE2 HIS 85 HE2 HIS 85 7.110 -4.480 15.570 147 H TYR 86 H TYR 86 6.710 -1.990 9.900 148 HH TYR 86 HH TYR 86 7.250 -8.140 8.010 149 H ALA 87 H ALA 87 5.050 0.410 9.140 150 H THR 88 H THR 88 5.350 1.150 7.160 151 HG1 THR 88 HG1 THR 88 7.130 4.330 6.860 152 H PHE 89 H PHE 89 6.220 2.340 3.080 153 H SER 90 H SER 90 9.820 1.420 2.570 154 HG SER 90 HG SER 90 10.150 5.050 2.690 155 H LEU 91 H LEU 91 10.460 1.160 -1.470 156 H ILE 92 H ILE 92 14.740 -0.840 -1.580 157 H ASP 93 H ASP 93 17.500 2.630 -1.980 158 H GLN 94 H GLN 94 20.070 0.160 -3.680 159 1HE2 GLN 94 2HE2 GLN 94 19.060 -1.660 -3.300 160 2HE2 GLN 94 1HE2 GLN 94 19.330 -2.960 -4.420 161 H THR 95 H THR 95 21.660 1.140 -5.570 162 HG1 THR 95 HG1 THR 95 22.260 3.150 -9.530 163 H CYS 96 H CYS 96 21.510 3.780 -4.681 Start of MODEL 16 1 1H ASP 1 1H ASP 1 0.820 -0.890 0.160 2 2H ASP 1 2H ASP 1 1.790 0.240 0.800 3 3H ASP 1 3H ASP 1 0.440 0.680 -0.060 4 H VAL 2 H VAL 2 3.830 -0.630 -2.950 5 H SER 3 H SER 3 7.020 -2.390 -0.170 6 HG SER 3 HG SER 3 7.950 -2.120 4.110 7 H GLY 4 H GLY 4 8.610 -0.550 -1.290 8 H THR 5 H THR 5 12.800 0.360 -2.390 9 HG1 THR 5 HG1 THR 5 13.300 0.990 -5.770 10 H VAL 6 H VAL 6 14.400 -3.460 -4.210 11 H CYS 7 H CYS 7 18.030 -3.490 -2.360 12 H LEU 8 H LEU 8 19.740 -5.120 -6.340 13 H SER 9 H SER 9 21.950 -6.310 -5.190 14 HG SER 9 HG SER 9 25.900 -6.600 -3.130 15 H ALA 10 H ALA 10 20.920 -6.920 -2.810 16 H LEU 11 H LEU 11 19.720 -8.890 -3.140 17 H GLU 14 H GLU 14 19.530 -17.420 -5.470 18 H ALA 15 H ALA 15 18.040 -15.380 -6.180 19 H THR 16 H THR 16 18.580 -13.910 -8.250 20 HG1 THR 16 HG1 THR 16 20.670 -11.280 -10.810 21 H ASP 17 H ASP 17 17.950 -15.840 -9.990 22 H THR 18 H THR 18 15.080 -16.030 -10.620 23 HG1 THR 18 HG1 THR 18 11.560 -16.430 -9.810 24 H LEU 19 H LEU 19 14.810 -13.170 -11.740 25 H ASN 20 H ASN 20 16.220 -14.010 -14.140 26 1HD2 ASN 20 2HD2 ASN 20 19.850 -15.330 -14.920 27 2HD2 ASN 20 1HD2 ASN 20 20.810 -14.680 -16.240 28 H LEU 21 H LEU 21 14.720 -15.740 -15.200 29 H ILE 22 H ILE 22 12.490 -14.080 -15.680 30 H ALA 23 H ALA 23 13.630 -12.540 -17.620 31 H SER 24 H SER 24 14.560 -14.210 -19.550 32 HG SER 24 HG SER 24 17.330 -16.390 -21.310 33 H ASP 25 H ASP 25 11.990 -14.460 -20.480 34 H GLY 26 H GLY 26 11.960 -17.120 -19.310 35 H PHE 28 H PHE 28 10.400 -22.200 -18.070 36 H TYR 30 H TYR 30 9.390 -23.710 -12.160 37 HH TYR 30 HH TYR 30 11.710 -22.080 -7.210 38 H SER 31 H SER 31 5.210 -25.300 -12.040 39 HG SER 31 HG SER 31 1.990 -25.780 -13.570 40 H GLN 32 H GLN 32 5.790 -22.670 -11.030 41 1HE2 GLN 32 2HE2 GLN 32 4.710 -20.400 -5.550 42 2HE2 GLN 32 1HE2 GLN 32 5.860 -21.530 -4.880 43 H ASP 33 H ASP 33 4.490 -19.970 -12.730 44 H GLY 34 H GLY 34 4.550 -16.640 -14.780 45 H VAL 35 H VAL 35 2.380 -17.460 -14.360 46 H VAL 36 H VAL 36 -1.550 -15.220 -14.890 47 H PHE 37 H PHE 37 -0.730 -11.350 -12.560 48 H GLN 38 H GLN 38 -3.950 -11.550 -10.450 49 1HE2 GLN 38 2HE2 GLN 38 -8.650 -7.100 -11.330 50 2HE2 GLN 38 1HE2 GLN 38 -9.480 -7.260 -9.800 51 H ASN 39 H ASN 39 -2.260 -8.730 -9.030 52 1HD2 ASN 39 2HD2 ASN 39 -2.760 -4.170 -6.440 53 2HD2 ASN 39 1HD2 ASN 39 -2.390 -4.230 -4.780 54 H ARG 40 H ARG 40 -3.600 -10.430 -6.660 55 HE ARG 40 HE ARG 40 -3.400 -14.850 -7.120 56 1HH1 ARG 40 2HH2 ARG 40 -5.720 -13.070 -9.020 57 2HH1 ARG 40 1HH2 ARG 40 -6.240 -14.430 -9.950 58 1HH2 ARG 40 2HH1 ARG 40 -4.180 -16.690 -8.280 59 2HH2 ARG 40 1HH1 ARG 40 -5.410 -16.460 -9.470 60 H GLU 41 H GLU 41 -2.880 -9.790 -3.960 61 H SER 42 H SER 42 -4.170 -7.440 -3.760 62 HG SER 42 HG SER 42 -6.600 -3.630 -1.820 63 H VAL 43 H VAL 43 -1.700 -6.000 -2.970 64 H LEU 44 H LEU 44 -0.640 -5.010 -4.290 65 H THR 46 H THR 46 -0.370 0.980 -8.990 66 HG1 THR 46 HG1 THR 46 0.930 -0.760 -12.790 67 H GLN 47 H GLN 47 -2.140 -2.350 -9.550 68 1HE2 GLN 47 2HE2 GLN 47 -8.320 -2.370 -6.510 69 2HE2 GLN 47 1HE2 GLN 47 -7.780 -1.330 -5.210 70 H SER 48 H SER 48 -3.890 -1.890 -11.930 71 HG SER 48 HG SER 48 -2.340 -2.500 -15.080 72 H TYR 49 H TYR 49 -5.960 -4.800 -14.840 73 HH TYR 49 HH TYR 49 -8.640 -13.020 -15.210 74 H GLY 50 H GLY 50 -3.810 -8.700 -14.500 75 H TYR 51 H TYR 51 -2.380 -6.460 -15.620 76 HH TYR 51 HH TYR 51 1.300 -0.540 -19.390 77 H TYR 52 H TYR 52 -0.550 -8.040 -14.410 78 HH TYR 52 HH TYR 52 0.570 -3.370 -8.360 79 H HIS 53 H HIS 53 2.870 -9.810 -12.310 80 HD1 HIS 53 HD1 HIS 53 3.100 -9.900 -16.400 81 HE2 HIS 53 HE2 HIS 53 0.590 -12.680 -17.890 82 H GLU 54 H GLU 54 3.280 -14.130 -12.530 83 H TYR 55 H TYR 55 6.590 -14.740 -9.610 84 HH TYR 55 HH TYR 55 5.650 -13.900 -17.130 85 H THR 56 H THR 56 7.080 -17.630 -9.000 86 HG1 THR 56 HG1 THR 56 7.250 -19.250 -5.190 87 H VAL 57 H VAL 57 10.610 -17.140 -6.110 88 H ILE 58 H ILE 58 13.410 -19.800 -8.060 89 H THR 59 H THR 59 14.730 -22.730 -4.650 90 HG1 THR 59 HG1 THR 59 14.510 -19.020 -1.960 91 H GLY 61 H GLY 61 17.880 -26.710 -1.090 92 H ALA 62 H ALA 62 15.280 -25.870 -1.090 93 H ARG 63 H ARG 63 12.680 -26.910 1.720 94 HE ARG 63 HE ARG 63 13.990 -29.680 4.530 95 1HH1 ARG 63 2HH2 ARG 63 12.380 -27.710 6.950 96 2HH1 ARG 63 1HH2 ARG 63 13.580 -28.000 8.160 97 1HH2 ARG 63 2HH1 ARG 63 15.550 -30.030 6.160 98 2HH2 ARG 63 1HH1 ARG 63 15.340 -29.310 7.710 99 H THR 64 H THR 64 10.210 -26.450 0.030 100 HG1 THR 64 HG1 THR 64 6.950 -25.240 1.010 101 H ARG 65 H ARG 65 7.740 -24.700 -1.560 102 HE ARG 65 HE ARG 65 5.340 -26.170 -4.060 103 1HH1 ARG 65 2HH2 ARG 65 3.440 -24.490 -6.490 104 2HH1 ARG 65 1HH2 ARG 65 2.200 -25.700 -6.550 105 1HH2 ARG 65 2HH1 ARG 65 3.700 -27.720 -4.130 106 2HH2 ARG 65 1HH1 ARG 65 2.360 -27.530 -5.200 107 H GLY 66 H GLY 66 8.730 -23.380 -0.580 108 H THR 67 H THR 67 9.360 -19.620 1.570 109 HG1 THR 67 HG1 THR 67 9.450 -17.320 3.700 110 H ARG 68 H ARG 68 9.930 -18.350 -0.620 111 HE ARG 68 HE ARG 68 14.640 -16.200 -0.780 112 1HH1 ARG 68 2HH2 ARG 68 12.980 -14.440 1.750 113 2HH1 ARG 68 1HH2 ARG 68 14.430 -13.740 2.390 114 1HH2 ARG 68 2HH1 ARG 68 16.520 -15.310 0.100 115 2HH2 ARG 68 1HH1 ARG 68 16.420 -14.270 1.480 116 H ARG 69 H ARG 69 9.380 -14.550 -3.080 117 HE ARG 69 HE ARG 69 3.610 -15.320 -6.550 118 1HH1 ARG 69 2HH2 ARG 69 4.860 -18.610 -6.240 119 2HH1 ARG 69 1HH2 ARG 69 3.260 -19.310 -6.450 120 1HH2 ARG 69 2HH1 ARG 69 1.620 -16.320 -6.810 121 2HH2 ARG 69 1HH1 ARG 69 1.510 -18.050 -6.900 122 H ILE 70 H ILE 70 8.190 -14.540 -7.120 123 H ILE 71 H ILE 71 7.700 -10.220 -7.660 124 H THR 72 H THR 72 6.090 -10.330 -11.500 125 HG1 THR 72 HG1 THR 72 7.500 -10.910 -14.120 126 H GLY 73 H GLY 73 6.860 -6.270 -13.350 127 H GLU 74 H GLU 74 3.500 -4.480 -15.610 128 H ALA 75 H ALA 75 5.950 -3.460 -16.080 129 H THR 76 H THR 76 9.680 -3.330 -18.250 130 HG1 THR 76 HG1 THR 76 11.800 -5.910 -19.510 131 H GLN 77 H GLN 77 12.220 -5.080 -14.870 132 1HE2 GLN 77 2HE2 GLN 77 16.160 -2.950 -17.110 133 2HE2 GLN 77 1HE2 GLN 77 17.500 -2.000 -16.520 134 H GLU 78 H GLU 78 10.660 -4.640 -13.160 135 H ASP 79 H ASP 79 11.040 -5.440 -10.230 136 H TYR 80 H TYR 80 7.820 -7.460 -8.220 137 HH TYR 80 HH TYR 80 5.070 -1.800 -8.900 138 H TYR 81 H TYR 81 9.920 -7.490 -4.260 139 HH TYR 81 HH TYR 81 13.530 -15.120 -2.890 140 H THR 82 H THR 82 8.390 -11.320 -2.950 141 HG1 THR 82 HG1 THR 82 5.650 -13.240 -0.040 142 H GLY 83 H GLY 83 9.070 -13.290 -1.010 143 H ASP 84 H ASP 84 7.750 -13.410 1.270 144 H HIS 85 H HIS 85 6.760 -15.370 0.900 145 HD1 HIS 85 HD1 HIS 85 1.590 -17.500 1.440 146 HE2 HIS 85 HE2 HIS 85 2.580 -20.180 -1.440 147 H TYR 86 H TYR 86 4.220 -14.240 -1.070 148 HH TYR 86 HH TYR 86 1.510 -13.920 -6.950 149 H ALA 87 H ALA 87 4.370 -11.950 1.190 150 H THR 88 H THR 88 5.460 -10.240 1.530 151 HG1 THR 88 HG1 THR 88 8.570 -9.530 2.730 152 H PHE 89 H PHE 89 6.850 -6.190 0.470 153 H SER 90 H SER 90 9.230 -6.700 -2.370 154 HG SER 90 HG SER 90 11.340 -5.430 0.600 155 H LEU 91 H LEU 91 9.870 -3.100 -4.290 156 H ILE 92 H ILE 92 12.330 -4.630 -8.030 157 H ASP 93 H ASP 93 16.500 -4.030 -6.700 158 H GLN 94 H GLN 94 17.490 -3.840 -10.490 159 1HE2 GLN 94 2HE2 GLN 94 17.150 -6.350 -14.500 160 2HE2 GLN 94 1HE2 GLN 94 16.150 -4.960 -14.830 161 H THR 95 H THR 95 19.570 -2.140 -10.910 162 HG1 THR 95 HG1 THR 95 21.530 1.900 -10.690 163 H CYS 96 H CYS 96 20.740 -2.220 -8.350 Start of MODEL 17 1 1H ASP 1 1H ASP 1 1.500 -0.850 0.560 2 2H ASP 1 2H ASP 1 1.450 0.770 0.550 3 3H ASP 1 3H ASP 1 0.250 -0.110 -0.180 4 H VAL 2 H VAL 2 3.990 0.210 -2.890 5 H SER 3 H SER 3 7.370 2.040 -0.320 6 HG SER 3 HG SER 3 7.570 2.410 3.300 7 H GLY 4 H GLY 4 6.860 4.170 -2.040 8 H THR 5 H THR 5 9.170 7.330 -4.200 9 HG1 THR 5 HG1 THR 5 9.710 7.340 -7.400 10 H VAL 6 H VAL 6 13.430 5.730 -4.780 11 H CYS 7 H CYS 7 15.670 8.710 -3.200 12 H LEU 8 H LEU 8 18.570 7.660 -6.610 13 H SER 9 H SER 9 20.860 8.740 -5.340 14 HG SER 9 HG SER 9 23.760 11.620 -3.470 15 H ALA 10 H ALA 10 20.100 7.770 -2.940 16 H LEU 11 H LEU 11 20.730 5.680 -2.400 17 H GLU 14 H GLU 14 26.780 0.030 -2.810 18 H ALA 15 H ALA 15 24.510 0.060 -3.750 19 H THR 16 H THR 16 24.100 0.790 -6.110 20 HG1 THR 16 HG1 THR 16 23.650 3.490 -9.390 21 H ASP 17 H ASP 17 25.320 -1.050 -7.470 22 H THR 18 H THR 18 23.520 -3.460 -7.710 23 HG1 THR 18 HG1 THR 18 21.790 -5.040 -5.870 24 H LEU 19 H LEU 19 21.280 -2.140 -9.240 25 H ASN 20 H ASN 20 22.990 -2.080 -11.600 26 1HD2 ASN 20 2HD2 ASN 20 26.350 -0.420 -12.510 27 2HD2 ASN 20 1HD2 ASN 20 26.580 0.460 -14.000 28 H LEU 21 H LEU 21 23.430 -4.600 -12.170 29 H ILE 22 H ILE 22 20.780 -5.220 -12.650 30 H ALA 23 H ALA 23 20.280 -3.730 -14.820 31 H SER 24 H SER 24 22.130 -4.580 -16.570 32 HG SER 24 HG SER 24 25.870 -6.300 -18.160 33 H ASP 25 H ASP 25 20.700 -6.720 -17.050 34 H GLY 26 H GLY 26 22.710 -8.300 -15.880 35 H PHE 28 H PHE 28 25.210 -12.730 -13.930 36 H TYR 30 H TYR 30 25.940 -11.840 -8.130 37 HH TYR 30 HH TYR 30 25.740 -10.520 -0.140 38 H SER 31 H SER 31 24.360 -14.940 -5.140 39 HG SER 31 HG SER 31 24.140 -19.180 -6.090 40 H GLN 32 H GLN 32 22.250 -13.700 -5.940 41 1HE2 GLN 32 2HE2 GLN 32 19.390 -13.270 -0.430 42 2HE2 GLN 32 1HE2 GLN 32 18.250 -11.930 -0.390 43 H ASP 33 H ASP 33 20.870 -13.720 -7.790 44 H GLY 34 H GLY 34 17.540 -12.660 -9.910 45 H VAL 35 H VAL 35 16.620 -14.230 -9.060 46 H VAL 36 H VAL 36 12.570 -16.250 -9.180 47 H PHE 37 H PHE 37 9.630 -12.800 -8.550 48 H GLN 38 H GLN 38 7.340 -14.500 -6.250 49 1HE2 GLN 38 2HE2 GLN 38 1.120 -13.620 -7.140 50 2HE2 GLN 38 1HE2 GLN 38 0.450 -14.840 -6.090 51 H ASN 39 H ASN 39 6.310 -11.130 -5.750 52 1HD2 ASN 39 2HD2 ASN 39 2.280 -7.880 -4.500 53 2HD2 ASN 39 1HD2 ASN 39 2.340 -7.260 -2.910 54 H ARG 40 H ARG 40 6.240 -12.600 -2.970 55 HE ARG 40 HE ARG 40 10.180 -13.910 -2.200 56 1HH1 ARG 40 2HH2 ARG 40 7.870 -16.500 -2.170 57 2HH1 ARG 40 1HH2 ARG 40 9.020 -17.760 -1.850 58 1HH2 ARG 40 2HH1 ARG 40 11.740 -15.560 -1.750 59 2HH2 ARG 40 1HH1 ARG 40 11.200 -17.200 -1.590 60 H GLU 41 H GLU 41 5.760 -10.970 -0.770 61 H SER 42 H SER 42 3.270 -10.370 -0.970 62 HG SER 42 HG SER 42 -1.370 -9.190 0.260 63 H VAL 43 H VAL 43 3.850 -7.490 -0.780 64 H LEU 44 H LEU 44 4.050 -6.430 -2.360 65 H THR 46 H THR 46 0.950 -3.140 -8.530 66 HG1 THR 46 HG1 THR 46 3.450 -4.130 -11.210 67 H GLN 47 H GLN 47 1.390 -7.500 -9.800 68 1HE2 GLN 47 2HE2 GLN 47 -3.560 -12.060 -8.440 69 2HE2 GLN 47 1HE2 GLN 47 -4.900 -11.360 -7.570 70 H SER 48 H SER 48 0.530 -8.730 -11.210 71 HG SER 48 HG SER 48 2.830 -8.380 -13.690 72 H TYR 49 H TYR 49 1.610 -13.010 -12.490 73 HH TYR 49 HH TYR 49 5.430 -19.860 -8.970 74 H GLY 50 H GLY 50 5.660 -13.810 -10.700 75 H TYR 51 H TYR 51 5.440 -11.870 -12.880 76 HH TYR 51 HH TYR 51 4.470 -6.750 -18.740 77 H TYR 52 H TYR 52 7.400 -11.000 -11.160 78 HH TYR 52 HH TYR 52 4.020 -5.800 -6.910 79 H HIS 53 H HIS 53 10.870 -9.190 -9.090 80 HD1 HIS 53 HD1 HIS 53 11.340 -10.380 -12.950 81 HE2 HIS 53 HE2 HIS 53 12.240 -14.280 -13.380 82 H GLU 54 H GLU 54 14.330 -11.690 -8.270 83 H TYR 55 H TYR 55 16.590 -8.790 -5.840 84 HH TYR 55 HH TYR 55 15.860 -10.810 -12.950 85 H THR 56 H THR 56 19.030 -10.000 -4.470 86 HG1 THR 56 HG1 THR 56 20.060 -9.830 -0.480 87 H VAL 57 H VAL 57 20.830 -6.350 -2.260 88 H ILE 58 H ILE 58 24.720 -6.550 -4.010 89 H THR 59 H THR 59 27.610 -6.790 -0.330 90 HG1 THR 59 HG1 THR 59 24.640 -3.730 1.630 91 H GLY 61 H GLY 61 32.440 -6.150 3.650 92 H ALA 62 H ALA 62 29.870 -7.270 3.880 93 H ARG 63 H ARG 63 28.710 -9.170 7.130 94 HE ARG 63 HE ARG 63 30.240 -10.750 12.130 95 1HH1 ARG 63 2HH2 ARG 63 27.120 -10.690 10.530 96 2HH1 ARG 63 1HH2 ARG 63 26.270 -11.370 11.880 97 1HH2 ARG 63 2HH1 ARG 63 29.100 -11.630 13.890 98 2HH2 ARG 63 1HH1 ARG 63 27.400 -11.900 13.760 99 H THR 64 H THR 64 26.600 -10.810 5.760 100 HG1 THR 64 HG1 THR 64 23.210 -11.620 6.580 101 H ARG 65 H ARG 65 23.600 -12.380 3.590 102 HE ARG 65 HE ARG 65 22.910 -14.620 1.340 103 1HH1 ARG 65 2HH2 ARG 65 20.960 -15.630 -1.360 104 2HH1 ARG 65 1HH2 ARG 65 20.540 -17.170 -0.690 105 1HH2 ARG 65 2HH1 ARG 65 22.360 -16.640 2.260 106 2HH2 ARG 65 1HH1 ARG 65 21.360 -17.730 1.370 107 H GLY 66 H GLY 66 23.820 -9.970 4.190 108 H THR 67 H THR 67 21.190 -7.180 5.730 109 HG1 THR 67 HG1 THR 67 19.430 -4.850 7.100 110 H ARG 68 H ARG 68 20.650 -5.700 3.430 111 HE ARG 68 HE ARG 68 22.840 -1.370 1.910 112 1HH1 ARG 68 2HH2 ARG 68 24.560 -3.230 4.320 113 2HH1 ARG 68 1HH2 ARG 68 25.700 -1.980 4.660 114 1HH2 ARG 68 2HH1 ARG 68 24.420 0.230 2.310 115 2HH2 ARG 68 1HH1 ARG 68 25.670 -0.090 3.470 116 H ARG 69 H ARG 69 17.560 -4.730 0.230 117 HE ARG 69 HE ARG 69 14.850 -10.730 -1.090 118 1HH1 ARG 69 2HH2 ARG 69 17.570 -10.800 1.130 119 2HH1 ARG 69 1HH2 ARG 69 16.900 -12.050 2.120 120 1HH2 ARG 69 2HH1 ARG 69 13.940 -12.250 0.330 121 2HH2 ARG 69 1HH1 ARG 69 14.800 -12.810 1.720 122 H ILE 70 H ILE 70 17.160 -6.780 -3.570 123 H ILE 71 H ILE 71 14.000 -4.470 -5.400 124 H THR 72 H THR 72 13.370 -6.780 -8.770 125 HG1 THR 72 HG1 THR 72 15.300 -6.600 -11.200 126 H GLY 73 H GLY 73 11.290 -4.220 -11.840 127 H GLU 74 H GLU 74 8.320 -6.680 -14.100 128 H ALA 75 H ALA 75 8.660 -4.080 -14.990 129 H THR 76 H THR 76 10.700 -1.160 -17.510 130 HG1 THR 76 HG1 THR 76 14.120 -0.830 -18.570 131 H GLN 77 H GLN 77 13.150 0.560 -14.060 132 1HE2 GLN 77 2HE2 GLN 77 12.630 4.820 -17.350 133 2HE2 GLN 77 1HE2 GLN 77 13.080 6.420 -16.790 134 H GLU 78 H GLU 78 11.880 -0.250 -12.330 135 H ASP 79 H ASP 79 12.530 0.190 -9.510 136 H TYR 80 H TYR 80 11.840 -2.560 -6.900 137 HH TYR 80 HH TYR 80 6.720 -3.250 -9.240 138 H TYR 81 H TYR 81 12.990 -0.260 -3.140 139 HH TYR 81 HH TYR 81 20.830 -0.990 0.490 140 H THR 82 H THR 82 14.750 -3.220 -0.600 141 HG1 THR 82 HG1 THR 82 14.220 -5.470 3.040 142 H GLY 83 H GLY 83 16.370 -3.320 1.570 143 H ASP 84 H ASP 84 15.780 -3.830 3.930 144 H HIS 85 H HIS 85 16.450 -5.870 4.190 145 HD1 HIS 85 HD1 HIS 85 14.150 -10.590 6.230 146 HE2 HIS 85 HE2 HIS 85 16.750 -12.690 3.950 147 H TYR 86 H TYR 86 13.970 -7.420 2.500 148 HH TYR 86 HH TYR 86 12.410 -12.330 -1.960 149 H ALA 87 H ALA 87 12.540 -5.260 4.280 150 H THR 88 H THR 88 11.280 -3.730 3.410 151 HG1 THR 88 HG1 THR 88 12.490 -0.270 4.470 152 H PHE 89 H PHE 89 9.490 -0.390 1.380 153 H SER 90 H SER 90 11.830 0.280 -1.450 154 HG SER 90 HG SER 90 12.010 3.340 0.830 155 H LEU 91 H LEU 91 9.920 2.610 -4.340 156 H ILE 92 H ILE 92 13.240 2.420 -7.730 157 H ASP 93 H ASP 93 15.350 6.140 -6.790 158 H GLN 94 H GLN 94 16.080 6.130 -10.780 159 1HE2 GLN 94 2HE2 GLN 94 18.300 2.980 -13.950 160 2HE2 GLN 94 1HE2 GLN 94 19.960 3.060 -14.500 161 H THR 95 H THR 95 16.660 8.760 -11.870 162 HG1 THR 95 HG1 THR 95 15.530 13.090 -12.460 163 H CYS 96 H CYS 96 17.450 9.820 -9.310 Start of MODEL 18 1 1H ASP 1 1H ASP 1 0.350 -0.150 -0.150 2 2H ASP 1 2H ASP 1 1.680 -0.590 0.660 3 3H ASP 1 3H ASP 1 1.320 1.010 0.450 4 H VAL 2 H VAL 2 3.940 -0.630 -2.820 5 H SER 3 H SER 3 3.920 -5.210 -2.610 6 HG SER 3 HG SER 3 2.090 -8.140 -2.130 7 H GLY 4 H GLY 4 6.250 -4.930 -1.080 8 H THR 5 H THR 5 10.090 -5.580 0.970 9 HG1 THR 5 HG1 THR 5 12.870 -4.050 0.650 10 H VAL 6 H VAL 6 12.360 -7.860 -2.300 11 H CYS 7 H CYS 7 13.550 -11.170 -0.440 12 H LEU 8 H LEU 8 17.440 -10.790 -2.860 13 H SER 9 H SER 9 18.070 -13.520 -2.840 14 HG SER 9 HG SER 9 19.270 -17.550 -1.320 15 H ALA 10 H ALA 10 15.500 -14.330 -3.160 16 H LEU 11 H LEU 11 14.560 -14.300 -5.210 17 H GLU 14 H GLU 14 16.790 -16.430 -12.860 18 H ALA 15 H ALA 15 16.340 -14.230 -11.710 19 H THR 16 H THR 16 18.300 -12.610 -11.290 20 HG1 THR 16 HG1 THR 16 21.550 -10.980 -8.980 21 H ASP 17 H ASP 17 18.790 -11.790 -13.650 22 H THR 18 H THR 18 17.290 -9.680 -15.120 23 HG1 THR 18 HG1 THR 18 14.410 -8.080 -16.340 24 H LEU 19 H LEU 19 17.960 -7.530 -12.880 25 H ASN 20 H ASN 20 20.720 -7.420 -13.730 26 1HD2 ASN 20 2HD2 ASN 20 23.900 -9.930 -13.980 27 2HD2 ASN 20 1HD2 ASN 20 25.510 -9.410 -13.570 28 H LEU 21 H LEU 21 20.500 -6.600 -16.140 29 H ILE 22 H ILE 22 19.380 -4.070 -15.630 30 H ALA 23 H ALA 23 21.500 -2.930 -14.350 31 H SER 24 H SER 24 23.560 -3.160 -16.120 32 HG SER 24 HG SER 24 26.840 -4.740 -18.590 33 H ASP 25 H ASP 25 22.620 -1.100 -17.550 34 H GLY 26 H GLY 26 21.950 -3.050 -19.580 35 H PHE 28 H PHE 28 20.100 -5.240 -24.190 36 H TYR 30 H TYR 30 15.290 -9.030 -24.200 37 HH TYR 30 HH TYR 30 13.230 -9.710 -19.440 38 H SER 31 H SER 31 12.760 -7.070 -27.360 39 HG SER 31 HG SER 31 12.530 -3.860 -29.570 40 H GLN 32 H GLN 32 13.350 -5.520 -24.110 41 1HE2 GLN 32 2HE2 GLN 32 7.370 -6.660 -21.430 42 2HE2 GLN 32 1HE2 GLN 32 7.450 -8.370 -21.850 43 H ASP 33 H ASP 33 12.740 -2.580 -23.250 44 H GLY 34 H GLY 34 14.480 0.090 -20.370 45 H VAL 35 H VAL 35 12.260 0.760 -21.160 46 H VAL 36 H VAL 36 9.230 4.040 -20.880 47 H PHE 37 H PHE 37 8.080 4.100 -16.500 48 H GLN 38 H GLN 38 4.210 4.720 -17.390 49 1HE2 GLN 38 2HE2 GLN 38 1.710 8.570 -14.180 50 2HE2 GLN 38 1HE2 GLN 38 0.140 9.210 -14.560 51 H ASN 39 H ASN 39 4.230 4.640 -13.830 52 1HD2 ASN 39 2HD2 ASN 39 2.780 2.520 -10.120 53 2HD2 ASN 39 1HD2 ASN 39 1.440 2.970 -9.060 54 H ARG 40 H ARG 40 1.350 3.090 -14.750 55 HE ARG 40 HE ARG 40 1.340 3.530 -18.920 56 1HH1 ARG 40 2HH2 ARG 40 1.350 0.110 -18.040 57 2HH1 ARG 40 1HH2 ARG 40 1.300 -0.430 -19.690 58 1HH2 ARG 40 2HH1 ARG 40 1.250 2.760 -21.040 59 2HH2 ARG 40 1HH1 ARG 40 1.240 1.060 -21.350 60 H GLU 41 H GLU 41 0.030 2.040 -12.650 61 H SER 42 H SER 42 -0.700 3.020 -10.840 62 HG SER 42 HG SER 42 -3.610 4.450 -7.210 63 H VAL 43 H VAL 43 0.380 0.960 -8.830 64 H LEU 44 H LEU 44 2.040 1.600 -7.710 65 H THR 46 H THR 46 6.040 6.430 -3.840 66 HG1 THR 46 HG1 THR 46 9.060 7.210 -5.830 67 H GLN 47 H GLN 47 5.600 8.230 -7.990 68 1HE2 GLN 47 2HE2 GLN 47 -0.540 10.150 -10.320 69 2HE2 GLN 47 1HE2 GLN 47 -1.740 10.340 -9.060 70 H SER 48 H SER 48 5.440 10.380 -8.690 71 HG SER 48 HG SER 48 8.790 11.020 -9.270 72 H TYR 49 H TYR 49 5.810 11.710 -13.060 73 HH TYR 49 HH TYR 49 5.960 8.030 -20.730 74 H GLY 50 H GLY 50 7.510 8.190 -15.360 75 H TYR 51 H TYR 51 9.200 9.010 -13.210 76 HH TYR 51 HH TYR 51 14.060 10.630 -7.140 77 H TYR 52 H TYR 52 9.330 6.290 -13.740 78 HH TYR 52 HH TYR 52 5.890 4.130 -7.320 79 H HIS 53 H HIS 53 10.640 2.100 -13.840 80 HD1 HIS 53 HD1 HIS 53 13.470 4.350 -14.780 81 HE2 HIS 53 HE2 HIS 53 12.960 6.220 -18.310 82 H GLU 54 H GLU 54 10.610 0.470 -17.950 83 H TYR 55 H TYR 55 10.920 -3.720 -16.610 84 HH TYR 55 HH TYR 55 16.100 1.590 -18.490 85 H THR 56 H THR 56 10.920 -5.810 -19.020 86 HG1 THR 56 HG1 THR 56 8.430 -7.850 -20.080 87 H VAL 57 H VAL 57 11.090 -9.420 -16.290 88 H ILE 58 H ILE 58 14.630 -11.420 -18.020 89 H THR 59 H THR 59 12.730 -15.520 -19.040 90 HG1 THR 59 HG1 THR 59 10.300 -14.780 -15.510 91 H GLY 61 H GLY 61 11.930 -21.780 -20.100 92 H ALA 62 H ALA 62 10.390 -19.470 -20.510 93 H ARG 63 H ARG 63 6.950 -19.660 -22.370 94 HE ARG 63 HE ARG 63 4.770 -22.680 -27.600 95 1HH1 ARG 63 2HH2 ARG 63 2.960 -21.610 -24.790 96 2HH1 ARG 63 1HH2 ARG 63 2.090 -23.100 -24.610 97 1HH2 ARG 63 2HH1 ARG 63 3.600 -24.640 -27.340 98 2HH2 ARG 63 1HH1 ARG 63 2.460 -24.780 -26.050 99 H THR 64 H THR 64 7.030 -16.790 -23.370 100 HG1 THR 64 HG1 THR 64 4.240 -14.230 -24.140 101 H ARG 65 H ARG 65 7.040 -12.840 -24.220 102 HE ARG 65 HE ARG 65 6.190 -10.080 -25.880 103 1HH1 ARG 65 2HH2 ARG 65 7.260 -6.750 -25.520 104 2HH1 ARG 65 1HH2 ARG 65 6.340 -6.170 -26.870 105 1HH2 ARG 65 2HH1 ARG 65 5.030 -9.310 -27.660 106 2HH2 ARG 65 1HH1 ARG 65 5.080 -7.620 -28.060 107 H GLY 66 H GLY 66 6.390 -14.020 -21.980 108 H THR 67 H THR 67 4.460 -14.440 -18.030 109 HG1 THR 67 HG1 THR 67 3.010 -14.960 -15.200 110 H ARG 68 H ARG 68 6.480 -13.170 -16.820 111 HE ARG 68 HE ARG 68 9.800 -15.550 -13.690 112 1HH1 ARG 68 2HH2 ARG 68 7.250 -14.970 -11.340 113 2HH1 ARG 68 1HH2 ARG 68 7.890 -16.120 -10.210 114 1HH2 ARG 68 2HH1 ARG 68 10.570 -17.030 -12.220 115 2HH2 ARG 68 1HH1 ARG 68 9.740 -17.300 -10.730 116 H ARG 69 H ARG 69 7.570 -9.640 -14.190 117 HE ARG 69 HE ARG 69 5.930 -3.930 -17.350 118 1HH1 ARG 69 2HH2 ARG 69 7.790 -5.220 -20.050 119 2HH1 ARG 69 1HH2 ARG 69 6.950 -4.220 -21.220 120 1HH2 ARG 69 2HH1 ARG 69 4.920 -2.740 -18.880 121 2HH2 ARG 69 1HH1 ARG 69 5.340 -2.810 -20.570 122 H ILE 70 H ILE 70 10.190 -6.550 -15.410 123 H ILE 71 H ILE 71 9.890 -4.150 -11.750 124 H THR 72 H THR 72 11.670 -0.760 -13.350 125 HG1 THR 72 HG1 THR 72 14.490 -0.170 -14.230 126 H GLY 73 H GLY 73 13.600 1.430 -9.890 127 H GLU 74 H GLU 74 12.950 5.820 -9.810 128 H ALA 75 H ALA 75 15.050 5.160 -8.440 129 H THR 76 H THR 76 19.100 4.050 -7.850 130 HG1 THR 76 HG1 THR 76 21.640 2.010 -8.950 131 H GLN 77 H GLN 77 17.960 -0.300 -6.970 132 1HE2 GLN 77 2HE2 GLN 77 21.650 0.550 -3.090 133 2HE2 GLN 77 1HE2 GLN 77 21.920 -0.600 -1.800 134 H GLU 78 H GLU 78 15.650 -0.160 -7.020 135 H ASP 79 H ASP 79 13.750 -2.420 -6.810 136 H TYR 80 H TYR 80 10.530 -2.680 -9.160 137 HH TYR 80 HH TYR 80 9.180 1.930 -5.230 138 H TYR 81 H TYR 81 9.080 -6.610 -7.590 139 HH TYR 81 HH TYR 81 10.900 -12.910 -13.030 140 H THR 82 H THR 82 7.180 -8.060 -11.270 141 HG1 THR 82 HG1 THR 82 3.140 -8.690 -13.070 142 H GLY 83 H GLY 83 6.240 -10.370 -12.450 143 H ASP 84 H ASP 84 3.660 -11.030 -12.430 144 H HIS 85 H HIS 85 3.290 -10.790 -14.680 145 HD1 HIS 85 HD1 HIS 85 -0.550 -8.360 -18.020 146 HE2 HIS 85 HE2 HIS 85 2.400 -8.080 -20.770 147 H TYR 86 H TYR 86 2.950 -7.390 -14.650 148 HH TYR 86 HH TYR 86 4.190 -1.590 -18.080 149 H ALA 87 H ALA 87 1.500 -8.130 -11.840 150 H THR 88 H THR 88 1.960 -8.600 -9.840 151 HG1 THR 88 HG1 THR 88 3.260 -11.060 -7.980 152 H PHE 89 H PHE 89 3.510 -7.050 -5.990 153 H SER 90 H SER 90 7.300 -6.840 -6.530 154 HG SER 90 HG SER 90 6.510 -9.600 -3.730 155 H LEU 91 H LEU 91 9.140 -4.700 -3.500 156 H ILE 92 H ILE 92 13.540 -4.760 -5.280 157 H ASP 93 H ASP 93 15.490 -8.140 -3.170 158 H GLN 94 H GLN 94 19.030 -6.250 -3.730 159 1HE2 GLN 94 2HE2 GLN 94 18.800 -4.320 -6.500 160 2HE2 GLN 94 1HE2 GLN 94 19.540 -3.000 -5.620 161 H THR 95 H THR 95 20.960 -6.860 -1.770 162 HG1 THR 95 HG1 THR 95 22.240 -6.960 2.540 163 H CYS 96 H CYS 96 19.520 -8.950 -0.390 Start of MODEL 19 1 1H ASP 1 1H ASP 1 1.340 -0.920 0.480 2 2H ASP 1 2H ASP 1 1.550 0.670 0.650 3 3H ASP 1 3H ASP 1 0.240 0.100 -0.180 4 H VAL 2 H VAL 2 4.010 -0.050 -2.820 5 H SER 3 H SER 3 7.630 1.190 -0.190 6 HG SER 3 HG SER 3 7.800 2.460 3.600 7 H GLY 4 H GLY 4 7.880 3.050 -2.050 8 H THR 5 H THR 5 10.050 5.490 -4.830 9 HG1 THR 5 HG1 THR 5 9.510 5.010 -8.010 10 H VAL 6 H VAL 6 13.460 2.800 -6.220 11 H CYS 7 H CYS 7 16.480 5.510 -5.820 12 H LEU 8 H LEU 8 18.050 3.740 -9.740 13 H SER 9 H SER 9 20.610 4.630 -9.640 14 HG SER 9 HG SER 9 24.140 7.420 -9.510 15 H ALA 10 H ALA 10 20.810 4.620 -7.020 16 H LEU 11 H LEU 11 21.200 2.440 -6.450 17 H GLU 14 H GLU 14 26.580 -5.190 -7.220 18 H ALA 15 H ALA 15 23.870 -4.460 -7.400 19 H THR 16 H THR 16 22.810 -3.950 -9.860 20 HG1 THR 16 HG1 THR 16 21.960 -2.070 -13.630 21 H ASP 17 H ASP 17 22.760 -6.590 -10.460 22 H THR 18 H THR 18 20.700 -8.630 -9.880 23 HG1 THR 18 HG1 THR 18 18.530 -10.260 -7.780 24 H LEU 19 H LEU 19 18.540 -6.890 -11.360 25 H ASN 20 H ASN 20 19.760 -7.510 -13.930 26 1HD2 ASN 20 2HD2 ASN 20 23.370 -7.100 -15.880 27 2HD2 ASN 20 1HD2 ASN 20 23.460 -6.740 -17.590 28 H LEU 21 H LEU 21 19.290 -10.020 -14.030 29 H ILE 22 H ILE 22 16.600 -10.100 -14.090 30 H ALA 23 H ALA 23 16.240 -8.920 -16.470 31 H SER 24 H SER 24 17.630 -10.390 -18.200 32 HG SER 24 HG SER 24 20.930 -12.140 -20.490 33 H ASP 25 H ASP 25 15.750 -12.200 -18.200 34 H GLY 26 H GLY 26 17.290 -14.120 -16.540 35 H PHE 28 H PHE 28 19.270 -18.600 -14.210 36 H TYR 30 H TYR 30 22.250 -17.390 -8.610 37 HH TYR 30 HH TYR 30 24.870 -14.010 -3.180 38 H SER 31 H SER 31 20.380 -16.680 -8.470 39 HG SER 31 HG SER 31 20.030 -14.320 -10.360 40 H GLN 32 H GLN 32 18.750 -16.960 -5.630 41 1HE2 GLN 32 2HE2 GLN 32 14.140 -18.390 -1.420 42 2HE2 GLN 32 1HE2 GLN 32 13.090 -17.000 -1.190 43 H ASP 33 H ASP 33 16.430 -17.850 -7.860 44 H GLY 34 H GLY 34 12.720 -17.120 -10.260 45 H VAL 35 H VAL 35 10.770 -17.520 -8.580 46 H VAL 36 H VAL 36 7.400 -18.690 -6.120 47 H PHE 37 H PHE 37 5.540 -14.580 -5.730 48 H GLN 38 H GLN 38 3.580 -15.220 -2.590 49 1HE2 GLN 38 2HE2 GLN 38 -2.830 -13.960 -2.260 50 2HE2 GLN 38 1HE2 GLN 38 -2.960 -13.990 -0.510 51 H ASN 39 H ASN 39 3.520 -11.640 -2.760 52 1HD2 ASN 39 2HD2 ASN 39 0.590 -7.440 -0.940 53 2HD2 ASN 39 1HD2 ASN 39 -0.810 -8.460 -1.040 54 H ARG 40 H ARG 40 3.830 -12.450 0.290 55 HE ARG 40 HE ARG 40 5.550 -16.340 -0.420 56 1HH1 ARG 40 2HH2 ARG 40 5.710 -15.270 2.940 57 2HH1 ARG 40 1HH2 ARG 40 6.520 -16.700 3.470 58 1HH2 ARG 40 2HH1 ARG 40 6.560 -18.200 0.330 59 2HH2 ARG 40 1HH1 ARG 40 6.970 -18.340 2.010 60 H GLU 41 H GLU 41 4.430 -10.380 2.170 61 H SER 42 H SER 42 2.050 -9.140 2.190 62 HG SER 42 HG SER 42 -1.730 -6.480 3.840 63 H VAL 43 H VAL 43 3.280 -6.520 1.420 64 H LEU 44 H LEU 44 3.010 -5.870 -0.430 65 H THR 46 H THR 46 -0.820 -3.300 -6.370 66 HG1 THR 46 HG1 THR 46 0.510 -5.760 -9.580 67 H GLN 47 H GLN 47 -0.540 -7.010 -5.260 68 1HE2 GLN 47 2HE2 GLN 47 -3.500 -8.190 0.230 69 2HE2 GLN 47 1HE2 GLN 47 -3.950 -6.560 0.670 70 H SER 48 H SER 48 -2.510 -8.560 -6.690 71 HG SER 48 HG SER 48 -1.290 -9.840 -9.770 72 H TYR 49 H TYR 49 -2.910 -13.110 -7.310 73 HH TYR 49 HH TYR 49 -0.360 -20.730 -4.250 74 H GLY 50 H GLY 50 1.140 -14.800 -6.600 75 H TYR 51 H TYR 51 0.680 -13.200 -9.030 76 HH TYR 51 HH TYR 51 3.200 -5.430 -9.600 77 H TYR 52 H TYR 52 3.210 -12.820 -8.050 78 HH TYR 52 HH TYR 52 2.330 -5.970 -5.000 79 H HIS 53 H HIS 53 7.460 -11.590 -7.950 80 HD1 HIS 53 HD1 HIS 53 6.560 -13.170 -11.020 81 HE2 HIS 53 HE2 HIS 53 5.540 -17.040 -10.710 82 H GLU 54 H GLU 54 10.160 -14.820 -6.740 83 H TYR 55 H TYR 55 13.590 -12.090 -5.980 84 HH TYR 55 HH TYR 55 11.330 -15.300 -12.690 85 H THR 56 H THR 56 16.060 -13.760 -5.180 86 HG1 THR 56 HG1 THR 56 17.520 -14.680 -2.260 87 H VAL 57 H VAL 57 18.790 -10.210 -4.110 88 H ILE 58 H ILE 58 21.710 -11.670 -6.610 89 H THR 59 H THR 59 24.820 -11.840 -3.230 90 HG1 THR 59 HG1 THR 59 22.940 -8.550 -1.480 91 H GLY 61 H GLY 61 31.050 -11.090 -0.880 92 H ALA 62 H ALA 62 28.540 -12.130 0.060 93 H ARG 63 H ARG 63 28.100 -13.950 3.470 94 HE ARG 63 HE ARG 63 29.230 -19.890 4.940 95 1HH1 ARG 63 2HH2 ARG 63 31.730 -17.500 5.430 96 2HH1 ARG 63 1HH2 ARG 63 32.960 -18.410 4.610 97 1HH2 ARG 63 2HH1 ARG 63 30.860 -21.080 3.870 98 2HH2 ARG 63 1HH1 ARG 63 32.450 -20.410 3.740 99 H THR 64 H THR 64 25.590 -15.370 2.670 100 HG1 THR 64 HG1 THR 64 22.350 -16.360 4.450 101 H ARG 65 H ARG 65 21.940 -16.510 1.610 102 HE ARG 65 HE ARG 65 17.470 -16.860 0.070 103 1HH1 ARG 65 2HH2 ARG 65 19.900 -19.350 -0.430 104 2HH1 ARG 65 1HH2 ARG 65 19.570 -20.160 1.070 105 1HH2 ARG 65 2HH1 ARG 65 17.090 -17.890 2.030 106 2HH2 ARG 65 1HH1 ARG 65 17.980 -19.320 2.450 107 H GLY 66 H GLY 66 22.350 -14.380 2.480 108 H THR 67 H THR 67 20.920 -10.340 4.020 109 HG1 THR 67 HG1 THR 67 20.110 -7.370 4.990 110 H ARG 68 H ARG 68 20.280 -9.010 1.800 111 HE ARG 68 HE ARG 68 23.620 -6.900 -1.640 112 1HH1 ARG 68 2HH2 ARG 68 22.590 -4.680 0.800 113 2HH1 ARG 68 1HH2 ARG 68 23.450 -3.310 0.160 114 1HH2 ARG 68 2HH1 ARG 68 24.770 -5.170 -2.500 115 2HH2 ARG 68 1HH1 ARG 68 24.780 -3.660 -1.670 116 H ARG 69 H ARG 69 17.070 -7.930 -1.190 117 HE ARG 69 HE ARG 69 12.580 -12.890 -0.980 118 1HH1 ARG 69 2HH2 ARG 69 15.640 -14.450 -0.380 119 2HH1 ARG 69 1HH2 ARG 69 15.010 -15.590 0.780 120 1HH2 ARG 69 2HH1 ARG 69 11.760 -14.380 0.520 121 2HH2 ARG 69 1HH1 ARG 69 12.800 -15.510 1.310 122 H ILE 70 H ILE 70 15.380 -10.080 -4.340 123 H ILE 71 H ILE 71 12.190 -7.320 -5.400 124 H THR 72 H THR 72 10.400 -9.850 -8.160 125 HG1 THR 72 HG1 THR 72 11.440 -10.530 -10.970 126 H GLY 73 H GLY 73 8.050 -7.320 -11.070 127 H GLU 74 H GLU 74 4.310 -9.480 -12.210 128 H ALA 75 H ALA 75 4.690 -7.000 -13.530 129 H THR 76 H THR 76 6.450 -5.000 -17.080 130 HG1 THR 76 HG1 THR 76 9.390 -5.790 -19.290 131 H GLN 77 H GLN 77 10.540 -3.920 -15.290 132 1HE2 GLN 77 2HE2 GLN 77 9.900 0.060 -18.410 133 2HE2 GLN 77 1HE2 GLN 77 10.530 1.690 -18.470 134 H GLU 78 H GLU 78 9.890 -3.910 -12.660 135 H ASP 79 H ASP 79 11.010 -3.020 -10.020 136 H TYR 80 H TYR 80 10.420 -5.410 -6.600 137 HH TYR 80 HH TYR 80 4.650 -3.070 -7.470 138 H TYR 81 H TYR 81 12.660 -2.690 -3.830 139 HH TYR 81 HH TYR 81 20.910 -4.720 -2.160 140 H THR 82 H THR 82 14.400 -5.830 -1.330 141 HG1 THR 82 HG1 THR 82 13.840 -7.740 2.630 142 H GLY 83 H GLY 83 16.320 -6.270 0.480 143 H ASP 84 H ASP 84 15.870 -6.360 3.080 144 H HIS 85 H HIS 85 16.210 -8.460 3.440 145 HD1 HIS 85 HD1 HIS 85 13.780 -12.830 6.070 146 HE2 HIS 85 HE2 HIS 85 15.950 -15.120 3.530 147 H TYR 86 H TYR 86 13.180 -9.530 2.460 148 HH TYR 86 HH TYR 86 9.280 -14.300 -0.840 149 H ALA 87 H ALA 87 12.380 -6.880 4.050 150 H THR 88 H THR 88 12.150 -4.940 3.550 151 HG1 THR 88 HG1 THR 88 14.250 -2.240 3.470 152 H PHE 89 H PHE 89 10.410 -1.560 1.370 153 H SER 90 H SER 90 11.920 -1.780 -2.120 154 HG SER 90 HG SER 90 13.050 1.720 -0.360 155 H LEU 91 H LEU 91 9.800 0.510 -4.730 156 H ILE 92 H ILE 92 12.050 -0.690 -8.730 157 H ASP 93 H ASP 93 14.980 2.620 -9.120 158 H GLN 94 H GLN 94 14.860 2.000 -13.110 159 1HE2 GLN 94 2HE2 GLN 94 13.590 0.270 -13.280 160 2HE2 GLN 94 1HE2 GLN 94 12.610 0.370 -14.710 161 H THR 95 H THR 95 15.470 4.360 -14.460 162 HG1 THR 95 HG1 THR 95 14.840 8.690 -15.600 163 H CYS 96 H CYS 96 16.420 6.010 -12.300 Start of MODEL 20 1 1H ASP 1 1H ASP 1 0.510 0.600 -0.090 2 2H ASP 1 2H ASP 1 1.030 -0.870 0.320 3 3H ASP 1 3H ASP 1 1.870 0.460 0.790 4 H VAL 2 H VAL 2 2.600 -0.350 -3.670 5 H SER 3 H SER 3 0.250 -4.170 -4.790 6 HG SER 3 HG SER 3 -0.960 -7.130 -2.460 7 H GLY 4 H GLY 4 2.210 -4.620 -6.330 8 H THR 5 H THR 5 4.310 -6.050 -9.850 9 HG1 THR 5 HG1 THR 5 5.980 -3.960 -11.750 10 H VAL 6 H VAL 6 1.490 -4.920 -13.240 11 H CYS 7 H CYS 7 1.270 -8.490 -15.150 12 H LEU 8 H LEU 8 1.310 -6.080 -19.110 13 H SER 9 H SER 9 0.150 -8.120 -20.580 14 HG SER 9 HG SER 9 -0.290 -12.060 -22.630 15 H ALA 10 H ALA 10 -1.300 -9.200 -18.630 16 H LEU 11 H LEU 11 -3.270 -7.980 -18.600 17 H GLU 14 H GLU 14 -10.720 -4.710 -21.980 18 H ALA 15 H ALA 15 -8.670 -3.580 -20.780 19 H THR 16 H THR 16 -6.810 -2.410 -22.090 20 HG1 THR 16 HG1 THR 16 -3.520 -2.090 -24.710 21 H ASP 17 H ASP 17 -8.210 -0.270 -22.780 22 H THR 18 H THR 18 -8.510 1.820 -20.810 23 HG1 THR 18 HG1 THR 18 -9.330 2.050 -17.950 24 H LEU 19 H LEU 19 -5.570 2.260 -20.280 25 H ASN 20 H ASN 20 -5.360 3.520 -22.930 26 1HD2 ASN 20 2HD2 ASN 20 -5.800 2.500 -26.750 27 2HD2 ASN 20 1HD2 ASN 20 -4.660 2.990 -27.990 28 H LEU 21 H LEU 21 -6.960 5.560 -22.790 29 H ILE 22 H ILE 22 -5.570 6.810 -20.720 30 H ALA 23 H ALA 23 -3.330 7.420 -21.960 31 H SER 24 H SER 24 -4.050 8.850 -24.050 32 HG SER 24 HG SER 24 -5.380 9.910 -28.050 33 H ASP 25 H ASP 25 -4.390 10.970 -22.520 34 H GLY 26 H GLY 26 -7.360 10.670 -22.450 35 H PHE 28 H PHE 28 -12.650 12.070 -22.320 36 H TYR 30 H TYR 30 -15.990 7.460 -19.880 37 HH TYR 30 HH TYR 30 -17.760 1.120 -18.190 38 H SER 31 H SER 31 -14.670 7.620 -18.480 39 HG SER 31 HG SER 31 -11.960 4.870 -19.340 40 H GLN 32 H GLN 32 -15.640 6.960 -15.360 41 1HE2 GLN 32 2HE2 GLN 32 -17.450 6.570 -9.640 42 2HE2 GLN 32 1HE2 GLN 32 -16.240 6.370 -8.400 43 H ASP 33 H ASP 33 -13.500 9.120 -15.260 44 H GLY 34 H GLY 34 -9.880 11.570 -14.200 45 H VAL 35 H VAL 35 -11.120 11.740 -11.990 46 H VAL 36 H VAL 36 -10.080 13.470 -8.000 47 H PHE 37 H PHE 37 -6.540 10.910 -6.740 48 H GLN 38 H GLN 38 -7.580 10.600 -3.160 49 1HE2 GLN 38 2HE2 GLN 38 -3.330 12.540 1.400 50 2HE2 GLN 38 1HE2 GLN 38 -4.420 12.640 2.760 51 H ASN 39 H ASN 39 -5.030 8.150 -3.340 52 1HD2 ASN 39 2HD2 ASN 39 -1.750 5.440 0.030 53 2HD2 ASN 39 1HD2 ASN 39 -1.620 6.870 1.000 54 H ARG 40 H ARG 40 -7.290 7.040 -1.410 55 HE ARG 40 HE ARG 40 -10.800 9.200 -1.150 56 1HH1 ARG 40 2HH2 ARG 40 -11.890 6.050 -2.310 57 2HH1 ARG 40 1HH2 ARG 40 -13.560 6.350 -1.940 58 1HH2 ARG 40 2HH1 ARG 40 -12.960 9.540 -0.670 59 2HH2 ARG 40 1HH1 ARG 40 -14.140 8.320 -1.000 60 H GLU 41 H GLU 41 -7.010 4.340 -0.660 61 H SER 42 H SER 42 -5.040 4.450 1.060 62 HG SER 42 HG SER 42 -2.140 3.260 4.860 63 H VAL 43 H VAL 43 -3.570 2.410 -0.470 64 H LEU 44 H LEU 44 -2.100 3.070 -1.620 65 H THR 46 H THR 46 4.820 5.900 -3.020 66 HG1 THR 46 HG1 THR 46 3.960 8.430 -6.020 67 H GLN 47 H GLN 47 1.900 9.140 -2.400 68 1HE2 GLN 47 2HE2 GLN 47 2.190 12.000 3.920 69 2HE2 GLN 47 1HE2 GLN 47 2.400 10.780 5.160 70 H SER 48 H SER 48 2.540 11.420 -1.800 71 HG SER 48 HG SER 48 2.680 12.940 -4.850 72 H TYR 49 H TYR 49 -0.380 14.990 -1.700 73 HH TYR 49 HH TYR 49 -8.880 15.970 -0.820 74 H GLY 50 H GLY 50 -4.030 13.700 -4.000 75 H TYR 51 H TYR 51 -1.550 14.000 -5.430 76 HH TYR 51 HH TYR 51 5.340 15.020 -9.330 77 H TYR 52 H TYR 52 -2.940 12.060 -6.680 78 HH TYR 52 HH TYR 52 0.540 5.870 -4.000 79 H HIS 53 H HIS 53 -4.350 8.990 -9.580 80 HD1 HIS 53 HD1 HIS 53 -3.650 12.550 -11.390 81 HE2 HIS 53 HE2 HIS 53 -6.490 15.210 -10.340 82 H GLU 54 H GLU 54 -8.470 9.440 -10.950 83 H TYR 55 H TYR 55 -9.050 5.420 -12.780 84 HH TYR 55 HH TYR 55 -6.450 12.180 -15.360 85 H THR 56 H THR 56 -11.990 5.170 -14.440 86 HG1 THR 56 HG1 THR 56 -14.720 3.600 -13.140 87 H VAL 57 H VAL 57 -11.770 0.730 -15.700 88 H ILE 58 H ILE 58 -13.780 1.320 -17.590 89 H THR 59 H THR 59 -16.650 -2.110 -18.760 90 HG1 THR 59 HG1 THR 59 -15.060 -3.710 -14.870 91 H GLY 61 H GLY 61 -19.880 -7.030 -20.960 92 H ALA 62 H ALA 62 -20.170 -5.480 -18.480 93 H ARG 63 H ARG 63 -23.140 -5.670 -15.930 94 HE ARG 63 HE ARG 63 -28.390 -2.420 -16.110 95 1HH1 ARG 63 2HH2 ARG 63 -28.320 -5.470 -17.800 96 2HH1 ARG 63 1HH2 ARG 63 -29.000 -4.840 -19.270 97 1HH2 ARG 63 2HH1 ARG 63 -29.260 -1.590 -18.050 98 2HH2 ARG 63 1HH1 ARG 63 -29.510 -2.660 -19.390 99 H THR 64 H THR 64 -22.390 -3.200 -14.570 100 HG1 THR 64 HG1 THR 64 -21.410 -2.370 -11.180 101 H ARG 65 H ARG 65 -20.800 0.480 -13.040 102 HE ARG 65 HE ARG 65 -19.820 4.520 -11.950 103 1HH1 ARG 65 2HH2 ARG 65 -16.810 2.780 -11.640 104 2HH1 ARG 65 1HH2 ARG 65 -17.010 2.330 -10.000 105 1HH2 ARG 65 2HH1 ARG 65 -20.180 3.840 -9.780 106 2HH2 ARG 65 1HH1 ARG 65 -18.970 2.920 -8.960 107 H GLY 66 H GLY 66 -19.500 -1.750 -13.030 108 H THR 67 H THR 67 -16.470 -4.540 -11.550 109 HG1 THR 67 HG1 THR 67 -14.950 -6.790 -10.040 110 H ARG 68 H ARG 68 -14.410 -3.540 -12.660 111 HE ARG 68 HE ARG 68 -11.450 -6.160 -15.900 112 1HH1 ARG 68 2HH2 ARG 68 -10.670 -7.600 -12.810 113 2HH1 ARG 68 1HH2 ARG 68 -9.840 -8.970 -13.470 114 1HH2 ARG 68 2HH1 ARG 68 -10.370 -8.010 -16.790 115 2HH2 ARG 68 1HH1 ARG 68 -9.700 -9.190 -15.720 116 H ARG 69 H ARG 69 -10.260 -1.660 -12.310 117 HE ARG 69 HE ARG 69 -11.480 3.830 -8.800 118 1HH1 ARG 69 2HH2 ARG 69 -14.400 3.600 -10.700 119 2HH1 ARG 69 1HH2 ARG 69 -15.440 4.250 -9.480 120 1HH2 ARG 69 2HH1 ARG 69 -12.830 4.660 -7.180 121 2HH2 ARG 69 1HH1 ARG 69 -14.530 4.820 -7.460 122 H ILE 70 H ILE 70 -9.230 2.490 -12.820 123 H ILE 71 H ILE 71 -5.150 2.530 -11.570 124 H THR 72 H THR 72 -4.600 6.610 -12.100 125 HG1 THR 72 HG1 THR 72 -4.260 7.990 -14.810 126 H GLY 73 H GLY 73 -0.170 7.370 -12.540 127 H GLU 74 H GLU 74 0.910 11.140 -10.400 128 H ALA 75 H ALA 75 3.020 9.950 -11.750 129 H THR 76 H THR 76 5.360 9.380 -15.420 130 HG1 THR 76 HG1 THR 76 4.440 9.130 -19.000 131 H GLN 77 H GLN 77 3.310 5.410 -16.290 132 1HE2 GLN 77 2HE2 GLN 77 6.260 3.750 -19.190 133 2HE2 GLN 77 1HE2 GLN 77 7.370 2.430 -19.490 134 H GLU 78 H GLU 78 2.390 4.910 -14.260 135 H ASP 79 H ASP 79 0.920 2.530 -13.580 136 H TYR 80 H TYR 80 -2.100 2.670 -11.080 137 HH TYR 80 HH TYR 80 1.520 5.670 -7.800 138 H TYR 81 H TYR 81 -3.110 -1.760 -10.800 139 HH TYR 81 HH TYR 81 -9.710 -5.300 -15.070 140 H THR 82 H THR 82 -7.450 -1.640 -10.340 141 HG1 THR 82 HG1 THR 82 -10.610 -2.260 -7.360 142 H GLY 83 H GLY 83 -9.660 -3.260 -10.410 143 H ASP 84 H ASP 84 -10.870 -4.350 -8.530 144 H HIS 85 H HIS 85 -12.680 -3.250 -8.470 145 HD1 HIS 85 HD1 HIS 85 -15.870 -0.440 -4.790 146 HE2 HIS 85 HE2 HIS 85 -17.170 1.630 -8.010 147 H TYR 86 H TYR 86 -11.420 -0.560 -6.840 148 HH TYR 86 HH TYR 86 -11.150 6.430 -5.890 149 H ALA 87 H ALA 87 -10.000 -2.910 -5.300 150 H THR 88 H THR 88 -8.160 -3.710 -5.440 151 HG1 THR 88 HG1 THR 88 -7.070 -6.730 -7.040 152 H PHE 89 H PHE 89 -3.840 -4.170 -5.680 153 H SER 90 H SER 90 -3.000 -3.010 -9.180 154 HG SER 90 HG SER 90 -1.820 -6.890 -8.700 155 H LEU 91 H LEU 91 1.090 -2.310 -9.520 156 H ILE 92 H ILE 92 1.180 -0.480 -13.900 157 H ASP 93 H ASP 93 1.990 -4.070 -16.320 158 H GLN 94 H GLN 94 3.430 -1.630 -19.030 159 1HE2 GLN 94 2HE2 GLN 94 2.510 1.940 -21.840 160 2HE2 GLN 94 1HE2 GLN 94 3.620 2.710 -20.750 161 H THR 95 H THR 95 5.480 -2.840 -20.350 162 HG1 THR 95 HG1 THR 95 9.520 -4.800 -20.620 163 H CYS 96 H CYS 96 4.810 -5.500 -20.000
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