*HEADER    ANTIBIOTIC                              28-JAN-04   1S6W              
*TITLE     SOLUTION STRUCTURE OF HYBRID WHITE STRIPED BASS HEPCIDIN              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPCIDIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: HEPCIDIN, MATURE FORM (RESIDUES 65-85);                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED, THE           
*SOURCE   4 SEQUENCE OF THE PROTEIN OCCURS NATURALLY IN HYBRID WHITE             
*SOURCE   5 STRIPED BASS                                                         
*KEYWDS    TWO STRAND ANTIPARALELL BETA SHEET                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.J.BABON, S.SINGH, M.W.PENNINGTON, R.S.NORTON,                       
*AUTHOR   2 M.E.WESTERMAN                                                        
*REVDAT   1   14-DEC-04 1S6W    0                                                
#
# The original sequence entered was:
# GCRFCCNCCPNMSGCGVCCRF
#


# Expressed in NMR-STAR, this sequence is:

_Mol_residue_sequence
;
GCRFCCNCCPNMSGCGVCCR
F
;

loop_
	_Residue_seq_code
	_Residue_author_seq_code
	_Residue_label

1   @   GLY	2   @   CYS	3   @   ARG	4   @   PHE	5   @   CYS
6   @   CYS	7   @   ASN	8   @   CYS	9   @   CYS	10   @   PRO
11   @   ASN	12   @   MET	13   @   SER	14   @   GLY	15   @   CYS
16   @   GLY	17   @   VAL	18   @   CYS	19   @   CYS	20   @   ARG
21   @   PHE	

stop_

###################################################################
#      Chemical Shift Ambiguity Code Definitions                  #
#                                                                 #
#    Codes            Definition                                  #
#                                                                 #
#      1             Unique                                       #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups                           #
#      3             Aromatic atoms on opposite sides of the ring #
#                        (e.g. Tyr HE1 and HE2 protons)           #
#      4             Intraresidue ambiguities (e.g. Lys HG and    #
#                         HD protons)                             #
#      5             Interresidue ambiguities (Lys 12 vs. Lys 27) #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################


# INSTRUCTIONS
# 1) Replace the @-signs with appropriate values.
# 2) Text comments concerning the assignments can be
#    supplied in the full deposition.
# 3) Feel free to add or delete rows to the table as needed.
#    The row numbers (_Atom_shift_assign_ID values) will be
#    re-assigned to sequential values by BMRB


# The atom table chosen for this sequence is:

loop_
     _Atom_shift_assign_ID
     _Residue_seq_code
     _Residue_label
     _Atom_name
     _Atom_type
     _Chem_shift_value
     _Chem_shift_value_error
     _Chem_shift_ambiguity_code

#
#Atom	Residue
#shift	Seq	Residue	Atom	Atom	Shift	Ambiguity
#assign	code	Label	Name	Type	ppm	Code
#---------------------------------------------------------------
#

2	 1	GLY	HA2 	H	3.91 	2 
3	 1	GLY	HA3 	H	3.85 	2 
5	 1	GLY	CA 	C	43.1 	1 
7	 2	CYS	H 	H	8.91 	1 
8	 2	CYS	HA 	H	5.58 	1 
9	 2	CYS	HB2 	H	3.04 	2 
10	 2	CYS	HB3 	H	2.69 	2 
13	 2	CYS	CA 	C	56.0 	1 
14	 2	CYS	CB 	C	47.0 	1 
16	 3	ARG	H 	H	8.65 	1 
17	 3	ARG	HA 	H	4.68 	1 
18	 3	ARG	HB2 	H	1.79 	2 
19	 3	ARG	HB3 	H	1.75 	2 
20	 3	ARG	HG2 	H	1.61 	2 
21	 3	ARG	HG3 	H	1.29 	2 
22	 3	ARG	HD2 	H	2.91 	2 
23	 3	ARG	HD3 	H	2.99 	2 
24	 3	ARG	HE 	H	6.93 	1 
30	 3	ARG	CA 	C	54.7 	1 
31	 3	ARG	CB 	C	33.3 	1 
32	 3	ARG	CG 	C	26.3 	1 
33	 3	ARG	CD 	C	43.4 	1 
35	 3	ARG	N 	N	120.7 	1 
39	 4	PHE	H 	H	8.83 	1 
40	 4	PHE	HA 	H	4.94 	1 
41	 4	PHE	HB2 	H	3.04 	2 
42	 4	PHE	HB3 	H	2.93 	2 
43	 4	PHE	HD1 	H	7.08 	3 
44	 4	PHE	HD2 	H	7.08 	3 
45	 4	PHE	HE1 	H	7.28 	3 
46	 4	PHE	HE2 	H	7.28 	3 
47	 4	PHE	HZ 	H	7.21 	1 
49	 4	PHE	CA 	C	57.3 	1 
50	 4	PHE	CB 	C	39.6 	1 
52	 4	PHE	CD1 	C	131.8 	3 
53	 4	PHE	CD2 	C	131.8 	3 
54	 4	PHE	CE1 	C	131.0 	3 
55	 4	PHE	CE2 	C	131.0 	3 
56	 4	PHE	CZ 	C	130.0 	1 
58	 5	CYS	H 	H	8.81 	1 
59	 5	CYS	HA 	H	4.79 	1 
60	 5	CYS	HB2 	H	3.53 	2 
61	 5	CYS	HB3 	H	3.16 	2 
64	 5	CYS	CA 	C	53.9 	1 
65	 5	CYS	CB 	C	41.5 	1 
67	 6	CYS	H 	H	8.80 	1 
68	 6	CYS	HA 	H	5.10 	1 
69	 6	CYS	HB2 	H	2.77 	2 
70	 6	CYS	HB3 	H	3.03 	2 
73	 6	CYS	CA 	C	55.2 	1 
74	 6	CYS	CB 	C	46.5 	1 
76	 7	ASN	H 	H	8.79 	1 
77	 7	ASN	HA 	H	4.51 	1 
78	 7	ASN	HB2 	H	2.78 	2 
79	 7	ASN	HB3 	H	3.01 	2 
83	 7	ASN	CA 	C	54.8 	1 
84	 7	ASN	CB 	C	37.2 	1 
88	 8	CYS	H 	H	8.00 	1 
89	 8	CYS	HA 	H	5.10 	1 
90	 8	CYS	HB2 	H	3.29 	2 
91	 8	CYS	HB3 	H	3.29 	2 
94	 8	CYS	CA 	C	56.8 	1 
95	 8	CYS	CB 	C	42.6 	1 
97	 9	CYS	H 	H	8.82 	1 
98	 9	CYS	HA 	H	5.04 	1 
99	 9	CYS	HB2 	H	3.25 	2 
100	 9	CYS	HB3 	H	3.04 	2 
103	 9	CYS	CA 	C	55.1 	1 
104	 9	CYS	CB 	C	41.3 	1 
106	 10	PRO	HA 	H	4.23 	1 
107	 10	PRO	HB2 	H	2.25 	2 
108	 10	PRO	HB3 	H	1.80 	2 
109	 10	PRO	HG2 	H	1.92 	2 
110	 10	PRO	HG3 	H	1.96 	2 
111	 10	PRO	HD2 	H	3.73 	2 
112	 10	PRO	HD3 	H	3.73 	2 
114	 10	PRO	CA 	C	63.6 	1 
115	 10	PRO	CB 	C	31.7 	1 
116	 10	PRO	CG 	C	27.4 	1 
117	 10	PRO	CD 	C	50.9 	1 
119	 11	ASN	H 	H	8.83 	1 
120	 11	ASN	HA 	H	4.32 	1 
121	 11	ASN	HB2 	H	2.92 	2 
122	 11	ASN	HB3 	H	3.02 	2 
126	 11	ASN	CA 	C	54.5 	1 
127	 11	ASN	CB 	C	39.5 	1 
131	 12	MET	H 	H	7.59 	1 
132	 12	MET	HA 	H	4.50 	1 
133	 12	MET	HB2 	H	2.02 	2 
134	 12	MET	HB3 	H	1.79 	2 
135	 12	MET	HG2 	H	2.37 	2 
136	 12	MET	HG3 	H	2.43 	2 
137	 12	MET	HE 	H	2.00 	1 
139	 12	MET	CA 	C	55.6 	1 
140	 12	MET	CB 	C	34.8 	1 
141	 12	MET	CG 	C	32.0 	1 
142	 12	MET	CE 	C	17.4 	1 
143	 12	MET	N 	N	119.0 	1 
144	 13	SER	H 	H	8.70 	1 
145	 13	SER	HA 	H	4.65 	1 
146	 13	SER	HB2 	H	3.86 	2 
147	 13	SER	HB3 	H	3.81 	2 
150	 13	SER	CA 	C	57.7	1 
151	 13	SER	CB 	C	63.2	1 
152	 13	SER	N 	N	121.2	1 
153	 14	GLY	H 	H	8.29 	1 
154	 14	GLY	HA2 	H	4.16 	2 
155	 14	GLY	HA3 	H	4.02 	2 
157	 14	GLY	CA 	C	44.3 	1 
158	 14	GLY	N 	N	111.4 	1 
159	 15	CYS	H 	H	8.66 	1 
160	 15	CYS	HA 	H	5.37 	1 
161	 15	CYS	HB2 	H	2.72 	2 
162	 15	CYS	HB3 	H	3.13 	2 
165	 15	CYS	CA 	C	55.3 	1 
166	 15	CYS	CB 	C	46.8 	1 
167	 15	CYS	N 	N	120.1 	1 
168	 16	GLY	H 	H	8.32 	1 
169	 16	GLY	HA2 	H	2.72 	2 
170	 16	GLY	HA3 	H	3.13 	2 
172	 16	GLY	CA 	C	45.3 	1 
173	 16	GLY	N 	N	111.9 	1 
174	 17	VAL	H 	H	8.52 	1 
175	 17	VAL	HA 	H	4.35 	1 
176	 17	VAL	HB 	H	1.94 	1 
177	 17	VAL	HG1 	H	1.05 	2 
178	 17	VAL	HG2 	H	0.90 	2 
180	 17	VAL	CA 	C	63.0 	1 
181	 17	VAL	CB 	C	32.3 	1 
182	 17	VAL	CG1 	C	22.4 	2 
183	 17	VAL	CG2 	C	22.6 	2 
184	 17	VAL	N 	N	120.7 	1 
185	 18	CYS	H 	H	9.25 	1 
186	 18	CYS	HA 	H	5.11 	1 
187	 18	CYS	HB2 	H	3.11 	2 
188	 18	CYS	HB3 	H	2.85 	2 
191	 18	CYS	CA 	C	53.7 	1 
192	 18	CYS	CB 	C	40.4 	1 
193	 18	CYS	N 	N	127.2 	1 
194	 19	CYS	H 	H	9.30 	1 
195	 19	CYS	HA 	H	5.42 	1 
196	 19	CYS	HB2 	H	3.08 	2 
197	 19	CYS	HB3 	H	2.99 	2 
200	 19	CYS	CA 	C	55.5 	1 
201	 19	CYS	CB 	C	39.5 	1 
202	 19	CYS	N 	N	128.3 	1 
203	 20	ARG	H 	H	7.56 	1 
204	 20	ARG	HA 	H	4.56 	1 
205	 20	ARG	HB2 	H	1.59 	2 
206	 20	ARG	HB3 	H	1.77 	2 
207	 20	ARG	HG2 	H	1.44 	2 
208	 20	ARG	HG3 	H	1.44 	2 
209	 20	ARG	HD2 	H	3.11 	2 
210	 20	ARG	HD3 	H	3.11 	2 
211	 20	ARG	HE 	H	7.19 	1 
217	 20	ARG	CA 	C	55.1 	1 
218	 20	ARG	CB 	C	31.5 	1 
219	 20	ARG	CG 	C	26.7 	1 
220	 20	ARG	CD 	C	46.7 	1 
226	 21	PHE	H 	H	8.06 	1 
227	 21	PHE	HA 	H	4.43 	1 
228	 21	PHE	HB2 	H	2.75 	2 
229	 21	PHE	HB3 	H	3.26 	2 
230	 21	PHE	HD1 	H	7.27 	3 
231	 21	PHE	HD2 	H	7.27 	3 
232	 21	PHE	HE1 	H	7.31 	3 
233	 21	PHE	HE2 	H	7.31 	3 
234	 21	PHE	HZ 	H	7.27 	1 
236	 21	PHE	CA 	C	59.5 	1 
237	 21	PHE	CB 	C	41.0 	1 
239	 21	PHE	CD1 	C	129.4 	4 
240	 21	PHE	CD2 	C	129.4 	4 
241	 21	PHE	CE1 	C	131.3 	3 
242	 21	PHE	CE2 	C	131.3 	3 
243	 21	PHE	CZ 	C	132.0 	4 

stop_

# The following loop is used to define sets of Atom-shift assignment IDs that
# represent related ambiguous assignments taken from the above list of
# assigned chemical shifts.  Each element in the set should be separated by a
# comma, as shown in the example below, and is the assignment ID for a chemical
# shift assignment that has been given as ambiguity code of 4 or 5.  Each set
# indicates that the observed chemical shifts are related to the defined 
# atoms, but have not been assigned uniquely to a specific atom in the set.

loop_
  _Atom_shift_assign_ID_ambiguity   

#
#    Sets of Atom-shift Assignment Ambiguities
               #              
#    ------------------------------------------
# Example:    5,4,7
#
                @
stop_

!phi angles

!2C
  assign (resid 1 and name c)  (resid 2 and name n)      
         (resid 2 and name ca) (resid 2 and name c) 1 -131.780 13.660 2 !8.5
!3R             
  assign (resid 2 and name c)  (resid 3 and name n)      
         (resid 3 and name ca) (resid 3 and name c) 1 -132.660 14.300 2 !8.5
!4F             
  assign (resid 3 and name c)  (resid 4 and name n)      
         (resid 4 and name ca) (resid 4 and name c) 1 -105.430 19.410 2 !7.6
!5C             
  assign (resid 4 and name c)  (resid 5 and name n)      
         (resid 5 and name ca) (resid 5 and name c) 1 -138.250 14.720 2 !7.6
!7N             
  assign (resid 6 and name c)  (resid 7 and name n)      
         (resid 7 and name ca) (resid 7 and name c) 1 -120 60 2 !6.9

!9C             
  assign (resid 8 and name c)  (resid 9 and name n)      
         (resid 9 and name ca) (resid 9 and name c) 1 -129.320 21.010 2 !10.4




!11N             
  assign (resid 10 and name c)  (resid 11 and name n)      
         (resid 11 and name ca) (resid 11 and name c) 1 -120 40 2 !8.6
!12M             
  assign (resid 11 and name c)  (resid 12 and name n)      
         (resid 12 and name ca) (resid 12 and name c) 1 -90 90 2 !7.7
!13S             
  assign (resid 12 and name c)  (resid 13 and name n)      
         (resid 13 and name ca) (resid 13 and name c) 1 -120 40 2 !8.1
!14G             
  assign (resid 13 and name c)  (resid 14 and name n)      
         (resid 14 and name ca) (resid 14 and name c) 1 -120 60 2 !7
!15C             
  assign (resid 14 and name c)  (resid 15 and name n)      
         (resid 15 and name ca) (resid 15 and name c) 1 -125.440 17.220 2 !6.9
!16G             
  assign (resid 15 and name c)  (resid 16 and name n)      
         (resid 16 and name ca) (resid 16 and name c) 1 -120 60 2 !6.2
!17V             
  assign (resid 16 and name c)  (resid 17 and name n)      
         (resid 17 and name ca) (resid 17 and name c) 1 -95.780 15.070 2 !7.6
!20R             
  assign (resid 19 and name c)  (resid 20 and name n)      
         (resid 20 and name ca)  (resid 20 and name c) 1 -91.960 17.840 2 !7.6



!psi angles
!2C             
  assign (resid 2 and name n)  (resid 2 and name ca)      
         (resid 2 and name c)  (resid 3 and name n) 1 147.090 12.760 2 !7.6

!3R             
  assign (resid 3 and name n)  (resid 3 and name ca)      
         (resid 3 and name c)  (resid 4 and name n) 1 135.410 18.740 2 !7.6
!4F             
  assign (resid 4 and name n)  (resid 4 and name ca)      
         (resid 4 and name c)  (resid 5 and name n) 1 129.100 13.480 2 !7.6

!5C             
  assign (resid 5 and name n)  (resid 5 and name ca)      
         (resid 5 and name c)  (resid 6 and name n) 1 160.110 8.560 2 !7.6


!9C             
  assign (resid 9 and name n)  (resid 9 and name ca)      
         (resid 9 and name c)  (resid 10 and name n) 1 146.490 17.020 2 !7.6




!15C             
  assign (resid 15 and name n)  (resid 15 and name ca)      
         (resid 15 and name c)  (resid 16 and name n) 1 143.720 19.680 2 !7.6


!17C             
  assign (resid 17 and name n)  (resid 17 and name ca)      
         (resid 17 and name c)  (resid 18 and name n) 1 134.120 7.330 2 !7.6

!20R             
  assign (resid 20 and name n)  (resid 20 and name ca)      
         (resid 20 and name c)  (resid 21 and name n) 1 136.590 23.170 2 !7.6




!18C             
  assign (resid 18 and name n)  (resid 18 and name ca)      
         (resid 18 and name c)  (resid 19 and name n) 1 134.920 13.790 2 !7.6

!18C             
  assign (resid 17 and name c)  (resid 18 and name n)      
         (resid 18 and name ca) (resid 18 and name c) 1 -116.110 12.060 2 !9.8


assign (resid  2 and name HA) (resid 3 and name HN)  3.12 1.32 0.00
assign (resid 3 and name HA) (resid 4 and name HN)  2.95 1.15 0.00
assign (resid 4 and name HA) (resid 5 and name HN)  3.30 1.50 0.00
assign (resid 10 and name HA) (resid 11 and name HN)  2.95 1.15 0.00
assign (resid 12 and name HA) (resid 13 and name HN)  3.12 1.32 0.00
assign (resid 13 and name HA) (resid 14 and name HN)  3.12 1.32 0.00
assign (resid 14 and name HA*) (resid 15 and name HN)  3.12 1.32 0.00
assign (resid 15 and name HA) (resid 16 and name HN)  2.95 1.15 0.00
assign (resid 16 and name HA*) (resid 17 and name HN)  3.30 1.50 0.00
assign (resid 16 and name HA*) (resid 17 and name HN)  3.30 1.50 0.00
assign (resid 17 and name HA) (resid 18 and name HN)  3.12 1.32 0.00
assign (resid 18 and name HA) (resid 19 and name HN)  3.30 1.50 0.00
assign (resid 2 and name HB*) (resid 3 and name HN)  4.62 2.82 0.00
assign (resid 2 and name HB*) (resid 3 and name HN)  4.13 2.33 0.00
assign (resid 3 and name HB*) (resid 4 and name HN)  3.91 2.11 0.00
assign (resid 3 and name HB*) (resid 4 and name HN)  3.91 2.11 0.00
assign (resid 5 and name HB*) ((resid 7 and name HN) or (resid 6 and name HN))  4.62 2.82 0.00
assign (resid 7 and name HB*) (resid 8 and name HN)  4.89 3.09 0.00
assign (resid 7 and name HB*) (resid 8 and name HN)  4.89 3.09 0.00
assign (resid 10 and name HB*) (resid 11 and name HN)  4.37 2.57 0.00
assign (resid 11 and name HB*) (resid 12 and name HN)  4.62 2.82 0.00
assign (resid 11 and name HB*) (resid 12 and name HN)  4.89 3.09 0.00
assign (resid 12 and name HB*) (resid 13 and name HN)  4.37 2.57 0.00
assign (resid 12 and name HB*) (resid 13 and name HN)  4.62 2.82 0.00
assign (resid 13 and name HB*) (resid 14 and name HN)  4.89 3.09 0.00
assign (resid 15 and name HB*) (resid 16 and name HN)  3.91 2.11 0.00
assign (resid 15 and name HB*) (resid 16 and name HN)  3.49 1.69 0.00
assign (resid 13 and name HB*) (resid 14 and name HN)  4.89 3.09 0.00
assign (resid 18 and name HB*) (resid 19 and name HN)  4.62 2.82 0.00
assign (resid 3 and name HG*) (resid 4 and name HN)  5.47 3.67 0.00
assign (resid 3 and name HG*) (resid 4 and name HN)  4.89 3.09 0.00
assign (resid 12 and name HG*) (resid 13 and name HN)  4.62 2.82 0.00
assign (resid 17 and name HG*) (resid 18 and name HN)  4.37 2.57 0.00
assign (resid 17 and name HG*) (resid 18 and name HN)  3.69 1.89 0.00
assign (resid 17 and name HB) (resid 18 and name HN)  4.89 3.09 0.00
assign (resid 18 and name HN) (resid 18 and name HB*)  3.91 2.11 0.00
assign (resid 18 and name HN) (resid 18 and name HB*)  3.69 1.89 0.00
assign (resid 19 and name HN) (resid 19 and name HB*)  4.13 2.33 0.00
assign (resid 19 and name HN) (resid 19 and name HB*)  4.13 2.33 0.00
assign (resid 5 and name HN) (resid 5 and name HB*)  3.49 1.69 0.00
assign (resid 5 and name HN) (resid 5 and name HB*)  3.49 1.69 0.00
assign (resid 15 and name HN) (resid 15 and name HB*)  4.13 2.33 0.00
assign (resid 15 and name HN) (resid 15 and name HB*)  3.49 1.69 0.00
assign (resid 13 and name HN) (resid 13 and name HB*)  3.91 2.11 0.00
assign (resid 13 and name HN) (resid 13 and name HB*)  3.91 2.11 0.00
assign (resid 17 and name HN) (resid 17 and name HB)  3.30 1.50 0.00
assign (resid 8 and name HN) (resid 8 and name hb*)  3.91 2.11 0.00
assign (resid 12 and name HN) (resid 12 and name HB*)  3.49 1.69 0.00
assign (resid 3 and name HN) (resid 3 and name HG*)  5.17 3.37 0.00
assign (resid 3 and name HN) (resid 3 and name HG*)  4.37 2.57 0.00
assign (resid 12 and name HN) (resid 12 and name HG*)  4.37 2.57 0.00
assign (resid 17 and name HN) (resid 17 and name HG*)  3.49 1.69 0.00
assign (resid 17 and name HN) (resid 17 and name HG*)  4.13 2.33 0.00
assign (resid 2 and name HA) (resid 19 and name HA)  3.49 1.69 0.00
assign (resid 6 and name HA) (resid 15 and name HA)  3.30 1.50 0.00
assign (resid 4 and name HA) (resid 17 and name HA)  4.37 2.57 0.00
assign (resid 7 and name HA) (resid 8 and name HA)  5.47 3.67 0.00
assign (resid 5 and name HN) (resid 16 and name HN)  3.49 1.69 0.00
assign (resid 12 and name HN) (resid 13 and name HN)  4.37 2.57 0.00
assign (resid 12 and name HN) (resid 14 and name HN)  5.17 3.37 0.00
assign (resid 11 and name HN) (resid 12 and name HN)  3.69 1.89 0.00
assign (resid 13 and name HN) (resid 14 and name HN)  4.13 2.33 0.00
assign (resid 17 and name HN) (resid 18 and name HN)  4.89 3.09 0.00
assign (resid 3 and name HN) (resid 18 and name HN)  3.91 2.11 0.00
assign (resid 3 and name HN) (resid 19 and name HN)  5.5 3.7 0.00
assign (resid 5 and name HN) (resid 18 and name HN)  4.62 2.82 0.00
assign (resid 14 and name HN) (resid 15 and name HN)  3.91 2.11 0.00
assign (resid 7 and name HN) (resid 8 and name HN)  3.91 2.11 0.00
assign (resid 4 and name HN) (resid 4 and name HD*)  4.62 2.82 0.00
assign (resid 4 and name HD*) (resid 16 and name HN)  5.47 3.67 0.00
assign (resid 4 and name HD*) (resid 17 and name HN)  5.47 3.67 0.00
assign (resid 4 and name HE*) (resid 16 and name HN)  5.17 3.37 0.00
assign (resid 4 and name HZ) (resid 16 and name HN)  5.17 3.37 0.00
assign (resid 4 and name HE*) (resid 17 and name HN)  5.17 3.37 0.00
assign (resid 4 and name HZ) (resid 15 and name HA)  5.47 3.67 0.00
assign (resid 4 and name HD*) (resid 15 and name HA)  5.47 3.67 0.00
assign (resid 4 and name HD*) (resid 17 and name HB)  5.17 3.37 0.00
assign (resid 4 and name HE*) (resid 17 and name HB)  5.17 3.37 0.00
assign (resid 4 and name HA) (resid 4 and name HD*)  3.91 2.11 0.00
assign (resid 4 and name HE*) (resid 16 and name HA*)  4.62 2.82 0.00
assign (resid 4 and name HE*) (resid 16 and name HA*)  3.69 1.89 0.00
assign (resid 4 and name HE*) (resid 15 and name HB*)  4.89 3.09 0.00
assign (resid 4 and name HZ) (resid 15 and name HB*)  3.91 2.11 0.00
assign (resid 4 and name HZ) (resid 15 and name HB*)  3.69 1.89 0.00
assign (resid 4 and name HD*) (resid 17 and name HG*)  4.89 3.09 0.00
assign (resid 4 and name HE*) (resid 17 and name HG*)  5.17 3.37 0.00
assign (resid 4 and name HZ) (resid 17 and name HG*)  5.47 3.67 0.00
assign (resid 18 and name HB*) (resid 21 and name HE*)  4.37 2.57 0.00
assign (resid 18 and name HB*) (resid 21 and name HE*)  4.37 2.57 0.00
assign (resid 19 and name HA) (resid 21 and name HE*)  5.47 3.67 0.00
assign (resid 18 and name HA) (resid 21 and name HE*)  5.47 3.67 0.00
assign (resid 20 and name HB*) (resid 21 and name HE*)  5.47 3.67 0.00
assign (resid 20 and name HG*) (resid 21 and name HE*)  5.47 3.67 0.00
assign (resid 12 and name HA) (resid 14 and name HN)  4.37 2.57 0.00
assign (resid 4 and name HA) (resid 16 and name HN)  5.17 3.37 0.00
assign (resid 4 and name HA) (resid 18 and name HN)  4.13 2.33 0.00
assign (resid 2 and name HA) (resid 18 and name HN)  5.47 3.67 0.00
assign (resid 2 and name HA) (resid 19 and name HN)  5.17 3.37 0.00
assign (resid 17 and name HN) (resid 18 and name HA)  5.47 3.67 0.00
assign (resid 10 and name HA) (resid 12 and name HN)  4.89 3.09 0.00
assign (resid 6 and name HA) (resid 16 and name HN)  3.49 1.69 0.00
assign (resid 6 and name HA) (resid 15 and name HN)  4.89 3.09 0.00
assign (resid 3 and name HN) (resid 19 and name HA)  4.37 2.57 0.00
assign (resid 2 and name HA) (resid 20 and name HN)  5.47 3.67 0.00
assign (resid 19 and name HN) (resid 20 and name HA)  5.47 3.67 0.00
assign (resid 12 and name HG*) (resid 14 and name HN)  4.89 3.09 0.00
assign (resid 3 and name HN) (resid 17 and name HG*)  4.37 2.57 0.00
assign (resid 4 and name HN) (resid 17 and name HG*)  5.17 3.37 0.00
assign (resid 17 and name HG*) (resid 19 and name HN)  4.89 3.09 0.00
assign (resid 3 and name HG*) (resid 18 and name HN)  5.47 3.67 0.00
assign (resid 3 and name HB*) (resid 18 and name HN)  5.47 3.67 0.00
assign (resid 5 and name HB*) (resid 8 and name HN)  5.47 3.67 0.00
assign (resid 11 and name HN) (resid 12 and name HG*)  5.47 3.67 0.00
assign (resid 2 and name HB*) (resid 17 and name HG*)  5.47 3.67 0.00
assign (resid 5 and name HB*) (resid 8 and name hb*)  4.37 2.57 0.00
assign (resid 9 and name HB*) (resid 10 and name HD*)  4.62 2.82 0.00
assign (resid 9 and name HB*) (resid 10 and name HD*)  5.17 3.37 0.00
assign (resid 4 and name HD*) (resid 17 and name HG*)  4.62 2.82 0.00
assign (resid 9 and name HA) (resid 10 and name HD*)  3.69 1.89 0.00
assign (resid 9 and name HA) (resid 10 and name HG*)  4.89 3.09 0.00
assign (resid 2 and name HA) (resid 17 and name HG*)  5.17 3.37 0.00
assign (resid 17 and name HG*) (resid 19 and name HA)  5.47 3.67 0.00
assign (resid 2 and name HB*) (resid 17 and name HG*)  4.37 2.57 0.00
assign (resid 2 and name HB*) (resid 17 and name HG*)  4.13 2.33 0.00
assign (resid 16 and name HA*) (resid 17 and name HG*)  5.47 3.67 0.00
assign (resid 3 and name HN) (resid 17 and name HG*)  4.37 2.57 0.00
assign (resid 3 and name HA) (resid 17 and name HG*)  5.47 3.67 0.00
assign (resid 4 and name HA) (resid 17 and name HG*)  5.17 3.37 0.00
assign (resid 4 and name HA) (resid 17 and name HG*)  5.47 3.67 0.00
assign (resid 6 and name HA) (resid 15 and name HB*)  4.89 3.09 0.00
assign (resid 2 and name HB*) (resid 19 and name HA)  5.17 3.37 0.00
assign (resid 6 and name HB*) (resid 15 and name HA)  5.47 3.67 0.00
assign (resid 5 and name HB*) (resid 8 and name HA)  5.17 3.37 0.00
assign (resid 5 and name HB*) (resid 7 and name HB*)  4.37 2.57 0.00
assign (resid 2 and name HB*) (resid 19 and name HA)  5.17 3.37 0.00
assign (resid 2 and name HN) (resid 3 and name HA)  4.89 3.09 0.00
assign (resid 3 and name HN) (resid 18 and name HB*)  5.47 3.67 0.00
assign (resid 2 and name HB*) (resid 18 and name HN)  5.47 3.67 0.00
assign (resid 21 and name HA) (resid 21 and name HE*)  4.89 3.09 0.00


!ones not calibrated with cyana:

assign (resid 7 and name HN) (resid 6 and name HA)  3.50 1.70 0.00
assign (resid 8 and name HN) (resid 7 and name HA)  5.00 3.20 0.00
assign (resid 12 and name HN) (resid 11 and name HA)  5.00 3.20 0.00
assign (resid 21 and name HN) (resid 20 and name HA)  5.00 3.20 0.00
assign (resid 20 and name HN) (resid 19 and name HA)  5.00 3.20 0.00
assign (resid 2 and name HN) (resid 1 and name HA*)  5.50 3.70 0.00

assign (resid 18 and name hn ) (resid 18 and name ha ) 4.19 2.39 0.0 ! 18 335000
assign (resid 19 and name hn ) (resid 19 and name ha ) 4.44 2.64 0.0 ! 19 239000
assign (resid 6 and name hn ) (resid 6 and name ha ) 3.15 1.35 0.0 ! 8 1870000
assign (resid 5 and name hn ) (resid 5 and name ha ) 3.26 1.46 0.0 ! 5 1500000
assign (resid 3 and name hn ) (resid 3 and name ha ) 4.09 2.29 0.0 ! 3 392000
assign (resid 15 and name hn ) (resid 15 and name ha ) 3.7 1.9 0.0 ! 15 715000
assign (resid 7 and name hn ) (resid 7 and name ha ) 0.0 1.8 3.5  ! 6 1590000
assign (resid 11 and name hn ) (resid 11 and name ha ) 3.18 1.38 0.0 ! 11 1770000
assign (resid 12 and name hn ) (resid 12 and name ha ) 3.95 2.15 0.0 ! 12 483000
assign (resid 17 and name hn ) (resid 17 and name ha ) 4.24 2.44 0.0 ! 17 315000
assign (resid 14 and name hn ) (resid 14 and name ha* ) 3.72 1.92 0.0 ! 14 689000
assign (resid 14 and name hn ) (resid 14 and name ha* ) 3.42 1.62 0.0 ! 114 1140000
assign (resid 16 and name hn ) (resid 16 and name ha* ) 4.02 2.22 0.0 ! 16 432000
assign (resid 16 and name hn ) (resid 16 and name ha* ) 3.77 1.97 0.0 ! 116 638000
assign (resid 8 and name hn ) (resid 8 and name ha ) 3.85 2.05 0.0 ! 7 560000
assign (resid 21 and name hn ) (resid 21 and name ha ) 4.75 2.95 0.0 ! 21 158000



assign ((resid 4 and name he*) or (resid 21 and name hd*) or (resid 21 and name hz)) (resid 3 and name hn ) 0.0 1.8 5.5 !

assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 3 and name hg* ) 0.0 1.8 5.5 ! 2
assign ((resid  21 and name hd* ) or (resid 21 and name hz )) ((resid 5 and name hn) or (resid 7 and name hn)) 0.0 1.8 5.5 ! 3

assign ((resid  16 and name ha*) or (resid 1 and name ha*)) (resid 4 and name hz ) 0.0 1.8 5.5 ! 3

assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 2 and name ha ) 0.0 1.8 5.5 ! 3     
assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 18 and name ha ) 0.0 1.8 5.5 ! 2     

assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 19 and name ha ) 0.0 1.8 5.0 ! 4   
assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 20 and name hb* ) 0.0 1.8 5.5 ! 2   
assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 20 and name hb* ) 0.0 1.8 5.0 ! 4    

assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 4 and name ha* ) 0.0 1.8 5.5 ! 3
assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 5 and name ha ) 0.0 1.8 5.5 ! 3   

assign ((resid  21 and name hd* ) or (resid 21 and name hz )) (resid 21 and name ha ) 0.0 1.8 5.0 ! 8


assign (resid 7 and name hn) ((resid 12 and name hb*) or (resid 12 and name he*)) 0.0 1.8 5.0 ! 7  could be to 6    
assign (resid 14 and name hn ) ((resid 6 and name hb*) or (resid 7 and name hb*))  0.0 1.8 5.0 ! 1   


assign ((resid 6 and name ha) or (resid 8 and name ha)) ((resid 12 and name hb*) or (resid 12 and name he*)) 0.0 1.8 5.0 ! 3

assign (resid 6 and name ha) ((resid 12 and name hb*) or (resid 12 and name he*)) 0.0 1.8 5.0 ! 3


!hydrogen bonds

assign (resid 5 and name hn) (resid 16 and name o )  0.0 1.6 2.4 
assign (resid 5 and name n) (resid 16 and name o )  0.0 2.3 3.5 

assign (resid 16 and name hn) (resid 5 and name o )  0.0 1.6 2.4 
assign (resid 16 and name n) (resid 5 and name o )  0.0 2.3 3.5 
assign (resid 18 and name hn) (resid 3 and name o )  0.0 1.6 2.4 
assign (resid 18 and name n) (resid 3 and name o )  0.0 2.3 3.5 
assign (resid 3 and name hn) (resid 18 and name o )  0.0 1.6 2.4 
assign (resid 3 and name n) (resid 18 and name o )  0.0 2.3 3.5 

assign (resid 4 and name hz) (resid 15 and name hb*)  5.00 3.20 0.00
assign (resid 4 and name he*) (resid 17 and name hg*)  5.50 3.70 0.00
assign (resid 2 and name ha) (resid 17 and name hg*)  5.50 3.70 0.00
assign (resid 15 and name ha) ((resid 12 and name hb*) or (resid 12 and name he*))  5.00 3.20 0.00
assign (resid 15 and name ha) (resid 7 and name hn)  4.27 2.47 0.00
assign (resid 3 and name hn) (resid 19 and name ha)  5.00 3.20 0.00
assign (resid 15 and name ha) (resid 6 and name hn)  4.27 2.47 0.00
assign (resid 18 and name hn) (resid 2 and name hb*)  5.50 3.70 0.00
assign (resid 9 and name hb*) (resid 12 and name hb*) 5.00 3.20 0.00
assign (resid 21 and name he*) (resid 3 and name hn)  5.50 3.70 0.00
assign (resid 4 and name hz) (resid 15 and name ha)  5.50 3.70 0.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1 -12.526  -6.631   1.947
    2   2H    GLY   1          2HT       GLY   1 -14.191  -6.340   1.822
    3   3H    GLY   1          3HT       GLY   1 -13.196  -5.228   2.627
    4   1HA   GLY   1          2HA       GLY   1 -12.946  -5.892  -0.254
    5   2HA   GLY   1          1HA       GLY   1 -13.864  -4.518   0.357
    6    H    CYS   2           H        CYS   2 -10.652  -5.795  -0.163
    7    HA   CYS   2           HA       CYS   2  -9.519  -3.070   0.261
    8   1HB   CYS   2          2HB       CYS   2  -9.395  -5.062   2.196
    9   2HB   CYS   2          1HB       CYS   2  -7.863  -5.265   1.347
   10    H    ARG   3           H        ARG   3  -7.355  -2.894  -0.814
   11    HA   ARG   3           HA       ARG   3  -6.845  -5.082  -2.794
   12   1HB   ARG   3          2HB       ARG   3  -8.076  -2.804  -3.484
   13   2HB   ARG   3          1HB       ARG   3  -6.421  -2.207  -3.511
   14   1HG   ARG   3          2HG       ARG   3  -6.826  -2.952  -5.710
   15   2HG   ARG   3          1HG       ARG   3  -5.867  -4.231  -4.964
   16   1HD   ARG   3          2HD       ARG   3  -7.597  -5.506  -5.919
   17   2HD   ARG   3          1HD       ARG   3  -8.290  -5.181  -4.319
   18    HE   ARG   3           HE       ARG   3  -9.001  -2.970  -5.841
   19   1HH1  ARG   3          1HH2      ARG   3  -9.417  -6.426  -5.957
   20   2HH1  ARG   3          2HH2      ARG   3 -10.837  -6.353  -6.958
   21   1HH2  ARG   3          1HH1      ARG   3 -10.951  -2.868  -7.045
   22   2HH2  ARG   3          2HH1      ARG   3 -11.723  -4.350  -7.511
   23    H    PHE   4           H        PHE   4  -4.622  -5.210  -3.525
   24    HA   PHE   4           HA       PHE   4  -2.678  -4.413  -1.455
   25   1HB   PHE   4          2HB       PHE   4  -2.982  -6.592  -3.041
   26   2HB   PHE   4          1HB       PHE   4  -1.859  -5.663  -4.032
   27    HD1  PHE   4           1HD      PHE   4  -2.177  -5.947  -0.303
   28    HD2  PHE   4           2HD      PHE   4   0.238  -6.638  -3.783
   29    HE1  PHE   4           1HE      PHE   4  -0.303  -6.670   1.148
   30    HE2  PHE   4           2HE      PHE   4   2.116  -7.368  -2.329
   31    HZ   PHE   4           HZ       PHE   4   1.842  -7.382   0.140
   32    H    CYS   5           H        CYS   5  -1.275  -2.689  -1.634
   33    HA   CYS   5           HA       CYS   5  -1.023  -1.350  -4.320
   34   1HB   CYS   5          2HB       CYS   5  -1.222   0.824  -3.069
   35   2HB   CYS   5          1HB       CYS   5  -2.679  -0.167  -2.954
   36    H    CYS   6           H        CYS   6   1.031  -0.272  -4.644
   37    HA   CYS   6           HA       CYS   6   3.128  -1.031  -2.641
   38   1HB   CYS   6          2HB       CYS   6   3.454  -0.515  -5.611
   39   2HB   CYS   6          1HB       CYS   6   4.612  -1.292  -4.528
   40    H    ASN   7           H        ASN   7   1.602   1.412  -2.409
   41    HA   ASN   7           HA       ASN   7   3.778   3.326  -2.208
   42   1HB   ASN   7          2HB       ASN   7   2.781   3.081  -4.738
   43   2HB   ASN   7          1HB       ASN   7   1.713   4.329  -4.098
   44   1HD2  ASN   7          1HD2      ASN   7   4.040   4.518  -6.094
   45   2HD2  ASN   7          2HD2      ASN   7   5.032   5.731  -5.445
   46    H    CYS   8           H        CYS   8   2.146   2.554  -0.202
   47    HA   CYS   8           HA       CYS   8  -0.115   4.493   0.042
   48   1HB   CYS   8          2HB       CYS   8  -0.888   3.049   1.752
   49   2HB   CYS   8          1HB       CYS   8  -0.138   1.929   0.616
   50    H    CYS   9           H        CYS   9   2.919   3.525   1.556
   51    HA   CYS   9           HA       CYS   9   2.978   6.074   3.092
   52   1HB   CYS   9          2HB       CYS   9   3.581   3.392   4.336
   53   2HB   CYS   9          1HB       CYS   9   2.985   4.858   5.113
   54    HA   PRO  10           HA       PRO  10   7.186   5.720   1.682
   55   1HB   PRO  10          2HB       PRO  10   8.269   7.751   3.167
   56   2HB   PRO  10          1HB       PRO  10   7.273   8.029   1.724
   57   1HG   PRO  10          2HG       PRO  10   6.537   8.208   4.599
   58   2HG   PRO  10          1HG       PRO  10   6.019   9.216   3.238
   59   1HD   PRO  10          2HD       PRO  10   4.483   7.238   4.349
   60   2HD   PRO  10          1HD       PRO  10   4.322   7.790   2.666
   61    H    ASN  11           H        ASN  11   6.692   3.671   3.404
   62    HA   ASN  11           HA       ASN  11   9.157   3.586   5.047
   63   1HB   ASN  11          2HB       ASN  11   6.594   4.238   6.098
   64   2HB   ASN  11          1HB       ASN  11   6.971   2.601   6.641
   65   1HD2  ASN  11          1HD2      ASN  11   8.046   5.990   6.796
   66   2HD2  ASN  11          2HD2      ASN  11   9.151   5.747   8.063
   67    H    MET  12           H        MET  12   7.829   2.118   2.666
   68    HA   MET  12           HA       MET  12   8.462  -0.612   3.614
   69   1HB   MET  12          2HB       MET  12   5.907   0.258   3.830
   70   2HB   MET  12          1HB       MET  12   5.877  -0.309   2.160
   71   1HG   MET  12          2HG       MET  12   6.330  -2.520   2.762
   72   2HG   MET  12          1HG       MET  12   7.089  -2.055   4.285
   73   1HE   MET  12          1HE       MET  12   3.741  -3.023   2.480
   74   2HE   MET  12          2HE       MET  12   3.917  -1.275   2.348
   75   3HE   MET  12          3HE       MET  12   2.604  -1.950   3.311
   76    H    SER  13           H        SER  13   9.932  -1.185   2.034
   77    HA   SER  13           HA       SER  13   9.737  -0.156  -0.714
   78   1HB   SER  13          2HB       SER  13  11.721  -2.008  -0.741
   79   2HB   SER  13          1HB       SER  13  11.946  -0.370  -0.124
   80    HG   SER  13           HG       SER  13  12.088  -2.713   1.183
   81    H    GLY  14           H        GLY  14   7.409  -1.387  -0.591
   82   1HA   GLY  14          2HA       GLY  14   7.577  -3.561  -2.460
   83   2HA   GLY  14          1HA       GLY  14   7.217  -4.188  -0.851
   84    H    CYS  15           H        CYS  15   5.061  -4.581  -0.752
   85    HA   CYS  15           HA       CYS  15   3.191  -2.409  -1.598
   86   1HB   CYS  15          2HB       CYS  15   2.897  -5.370  -2.178
   87   2HB   CYS  15          1HB       CYS  15   1.797  -4.094  -2.699
   88    H    GLY  16           H        GLY  16   1.187  -2.407  -0.418
   89   1HA   GLY  16          2HA       GLY  16   1.039  -4.287   1.897
   90   2HA   GLY  16          1HA       GLY  16   0.922  -2.551   2.181
   91    H    VAL  17           H        VAL  17  -1.226  -3.642   3.081
   92    HA   VAL  17           HA       VAL  17  -3.279  -4.134   1.029
   93    HB   VAL  17           HB       VAL  17  -3.486  -3.834   4.046
   94   1HG1  VAL  17          1HG1      VAL  17  -5.681  -4.185   3.685
   95   2HG1  VAL  17          2HG1      VAL  17  -5.285  -5.755   2.987
   96   3HG1  VAL  17          3HG1      VAL  17  -5.404  -4.334   1.950
   97   1HG2  VAL  17          1HG2      VAL  17  -2.544  -6.073   2.292
   98   2HG2  VAL  17          2HG2      VAL  17  -3.530  -6.485   3.695
   99   3HG2  VAL  17          3HG2      VAL  17  -2.010  -5.617   3.911
  100    H    CYS  18           H        CYS  18  -4.588  -2.575   0.207
  101    HA   CYS  18           HA       CYS  18  -4.725   0.086   1.606
  102   1HB   CYS  18          2HB       CYS  18  -4.253  -0.787  -1.202
  103   2HB   CYS  18          1HB       CYS  18  -5.274   0.634  -0.993
  104    H    CYS  19           H        CYS  19  -6.813   0.732   2.126
  105    HA   CYS  19           HA       CYS  19  -9.099  -0.732   0.842
  106   1HB   CYS  19          2HB       CYS  19  -8.300  -0.205   3.620
  107   2HB   CYS  19          1HB       CYS  19  -9.968   0.263   3.293
  108    H    ARG  20           H        ARG  20  -7.606   2.153   0.654
  109    HA   ARG  20           HA       ARG  20 -10.121   3.783   0.671
  110   1HB   ARG  20          2HB       ARG  20  -7.170   4.456   0.910
  111   2HB   ARG  20          1HB       ARG  20  -8.424   5.684   0.747
  112   1HG   ARG  20          2HG       ARG  20  -9.230   3.848   2.803
  113   2HG   ARG  20          1HG       ARG  20  -7.572   4.351   3.128
  114   1HD   ARG  20          2HD       ARG  20  -8.473   6.764   2.612
  115   2HD   ARG  20          1HD       ARG  20 -10.054   6.037   2.944
  116    HE   ARG  20           HE       ARG  20  -9.424   5.739   5.210
  117   1HH1  ARG  20          1HH2      ARG  20  -6.694   6.610   3.229
  118   2HH1  ARG  20          2HH2      ARG  20  -5.670   6.941   4.579
  119   1HH2  ARG  20          1HH1      ARG  20  -8.065   6.157   6.962
  120   2HH2  ARG  20          2HH1      ARG  20  -6.438   6.674   6.686
  121    H    PHE  21           H        PHE  21 -10.938   4.107  -1.368
  122    HA   PHE  21           HA       PHE  21  -9.042   4.602  -3.619
  123   1HB   PHE  21          2HB       PHE  21 -11.304   2.577  -3.514
  124   2HB   PHE  21          1HB       PHE  21 -10.467   3.034  -4.996
  125    HD1  PHE  21           1HD      PHE  21 -10.293   1.099  -1.917
  126    HD2  PHE  21           2HD      PHE  21  -8.012   2.581  -5.243
  127    HE1  PHE  21           1HE      PHE  21  -8.484  -0.509  -1.389
  128    HE2  PHE  21           2HE      PHE  21  -6.200   0.972  -4.715
  129    HZ   PHE  21           HZ       PHE  21  -6.436  -0.572  -2.789
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1 -14.483  -3.288  -1.063
    2   2H    GLY   1          2HT       GLY   1 -15.028  -4.863  -1.393
    3   3H    GLY   1          3HT       GLY   1 -13.571  -4.307  -2.060
    4   1HA   GLY   1          2HA       GLY   1 -14.032  -4.615   0.856
    5   2HA   GLY   1          1HA       GLY   1 -13.254  -5.835  -0.154
    6    H    CYS   2           H        CYS   2 -11.066  -5.725   0.026
    7    HA   CYS   2           HA       CYS   2  -9.793  -3.003   0.252
    8   1HB   CYS   2          2HB       CYS   2  -9.836  -4.975   2.147
    9   2HB   CYS   2          1HB       CYS   2  -8.367  -5.408   1.270
   10    H    ARG   3           H        ARG   3  -7.598  -2.910  -0.771
   11    HA   ARG   3           HA       ARG   3  -7.169  -5.021  -2.862
   12   1HB   ARG   3          2HB       ARG   3  -8.223  -2.528  -3.300
   13   2HB   ARG   3          1HB       ARG   3  -6.507  -2.222  -3.560
   14   1HG   ARG   3          2HG       ARG   3  -6.661  -3.158  -5.598
   15   2HG   ARG   3          1HG       ARG   3  -7.137  -4.687  -4.858
   16   1HD   ARG   3          2HD       ARG   3  -8.873  -3.978  -6.435
   17   2HD   ARG   3          1HD       ARG   3  -9.514  -3.846  -4.789
   18    HE   ARG   3           HE       ARG   3  -9.343  -1.455  -4.932
   19   1HH1  ARG   3          1HH2      ARG   3  -7.937  -3.044  -7.683
   20   2HH1  ARG   3          2HH2      ARG   3  -7.851  -1.598  -8.624
   21   1HH2  ARG   3          1HH1      ARG   3  -9.251   0.398  -6.160
   22   2HH2  ARG   3          2HH1      ARG   3  -8.604   0.353  -7.762
   23    H    PHE   4           H        PHE   4  -4.929  -5.190  -3.553
   24    HA   PHE   4           HA       PHE   4  -2.994  -4.544  -1.426
   25   1HB   PHE   4          2HB       PHE   4  -3.359  -6.644  -3.095
   26   2HB   PHE   4          1HB       PHE   4  -2.183  -5.734  -4.040
   27    HD1  PHE   4           1HD      PHE   4  -0.038  -6.594  -3.754
   28    HD2  PHE   4           2HD      PHE   4  -2.657  -6.341  -0.354
   29    HE1  PHE   4           1HE      PHE   4   1.777  -7.438  -2.289
   30    HE2  PHE   4           2HE      PHE   4  -0.840  -7.182   1.108
   31    HZ   PHE   4           HZ       PHE   4   1.377  -7.728   0.145
   32    H    CYS   5           H        CYS   5  -1.293  -3.031  -1.656
   33    HA   CYS   5           HA       CYS   5  -1.050  -1.591  -4.263
   34   1HB   CYS   5          2HB       CYS   5  -1.316   0.564  -3.104
   35   2HB   CYS   5          1HB       CYS   5  -2.735  -0.445  -2.828
   36    H    CYS   6           H        CYS   6   1.010  -0.537  -4.527
   37    HA   CYS   6           HA       CYS   6   3.069  -1.286  -2.470
   38   1HB   CYS   6          2HB       CYS   6   3.497  -0.847  -5.436
   39   2HB   CYS   6          1HB       CYS   6   4.578  -1.654  -4.301
   40    H    ASN   7           H        ASN   7   1.776   1.095  -2.026
   41    HA   ASN   7           HA       ASN   7   3.889   3.044  -2.072
   42   1HB   ASN   7          2HB       ASN   7   2.782   2.745  -4.534
   43   2HB   ASN   7          1HB       ASN   7   1.702   3.968  -3.870
   44   1HD2  ASN   7          1HD2      ASN   7   2.749   5.445  -5.520
   45   2HD2  ASN   7          2HD2      ASN   7   4.236   6.166  -5.140
   46    H    CYS   8           H        CYS   8   2.338   2.293   0.042
   47    HA   CYS   8           HA       CYS   8   0.014   4.110   0.323
   48   1HB   CYS   8          2HB       CYS   8  -0.493   2.808   2.201
   49   2HB   CYS   8          1HB       CYS   8   0.402   1.645   1.228
   50    H    CYS   9           H        CYS   9   3.233   3.658   1.752
   51    HA   CYS   9           HA       CYS   9   3.143   6.447   2.784
   52   1HB   CYS   9          2HB       CYS   9   3.936   4.158   4.569
   53   2HB   CYS   9          1HB       CYS   9   3.187   5.690   5.004
   54    HA   PRO  10           HA       PRO  10   7.406   6.161   1.554
   55   1HB   PRO  10          2HB       PRO  10   8.401   8.303   2.947
   56   2HB   PRO  10          1HB       PRO  10   7.423   8.472   1.476
   57   1HG   PRO  10          2HG       PRO  10   6.627   8.777   4.328
   58   2HG   PRO  10          1HG       PRO  10   6.120   9.706   2.908
   59   1HD   PRO  10          2HD       PRO  10   4.593   7.764   4.068
   60   2HD   PRO  10          1HD       PRO  10   4.483   8.209   2.351
   61    H    ASN  11           H        ASN  11   7.145   4.134   3.182
   62    HA   ASN  11           HA       ASN  11   9.343   4.418   5.192
   63   1HB   ASN  11          2HB       ASN  11   6.479   3.910   5.646
   64   2HB   ASN  11          1HB       ASN  11   7.533   2.732   6.427
   65   1HD2  ASN  11          1HD2      ASN  11   6.265   5.917   6.711
   66   2HD2  ASN  11          2HD2      ASN  11   7.266   6.440   7.976
   67    H    MET  12           H        MET  12   7.196   2.190   3.385
   68    HA   MET  12           HA       MET  12   9.283   0.072   3.609
   69   1HB   MET  12          2HB       MET  12   7.459  -1.458   3.167
   70   2HB   MET  12          1HB       MET  12   6.884  -0.302   4.368
   71   1HG   MET  12          2HG       MET  12   5.896   1.046   2.463
   72   2HG   MET  12          1HG       MET  12   6.296  -0.299   1.394
   73   1HE   MET  12          1HE       MET  12   4.809  -2.246   0.971
   74   2HE   MET  12          2HE       MET  12   4.072  -3.142   2.298
   75   3HE   MET  12          3HE       MET  12   5.804  -2.819   2.316
   76    H    SER  13           H        SER  13   9.306  -1.332   1.533
   77    HA   SER  13           HA       SER  13   9.162   0.385  -0.925
   78   1HB   SER  13          2HB       SER  13  11.333  -1.228  -1.350
   79   2HB   SER  13          1HB       SER  13  11.437   0.397  -0.684
   80    HG   SER  13           HG       SER  13  12.512  -1.137   0.636
   81    H    GLY  14           H        GLY  14   7.374  -1.831   0.148
   82   1HA   GLY  14          2HA       GLY  14   7.594  -3.630  -2.233
   83   2HA   GLY  14          1HA       GLY  14   7.237  -4.285  -0.634
   84    H    CYS  15           H        CYS  15   5.128  -4.930  -0.782
   85    HA   CYS  15           HA       CYS  15   3.119  -2.871  -1.634
   86   1HB   CYS  15          2HB       CYS  15   3.145  -5.860  -2.167
   87   2HB   CYS  15          1HB       CYS  15   1.871  -4.746  -2.667
   88    H    GLY  16           H        GLY  16   1.213  -2.832  -0.378
   89   1HA   GLY  16          2HA       GLY  16   0.993  -4.818   1.835
   90   2HA   GLY  16          1HA       GLY  16   0.973  -3.097   2.222
   91    H    VAL  17           H        VAL  17  -1.226  -4.131   3.068
   92    HA   VAL  17           HA       VAL  17  -3.321  -4.420   1.034
   93    HB   VAL  17           HB       VAL  17  -3.402  -4.149   4.065
   94   1HG1  VAL  17          1HG1      VAL  17  -5.599  -3.713   3.150
   95   2HG1  VAL  17          2HG1      VAL  17  -5.611  -5.360   3.777
   96   3HG1  VAL  17          3HG1      VAL  17  -5.463  -5.084   2.043
   97   1HG2  VAL  17          1HG2      VAL  17  -3.351  -6.604   2.275
   98   2HG2  VAL  17          2HG2      VAL  17  -3.580  -6.628   4.024
   99   3HG2  VAL  17          3HG2      VAL  17  -2.052  -6.074   3.339
  100    H    CYS  18           H        CYS  18  -4.745  -2.817   0.382
  101    HA   CYS  18           HA       CYS  18  -4.561  -0.127   1.719
  102   1HB   CYS  18          2HB       CYS  18  -4.119  -1.043  -1.057
  103   2HB   CYS  18          1HB       CYS  18  -5.179   0.357  -0.925
  104    H    CYS  19           H        CYS  19  -6.579   0.374   2.536
  105    HA   CYS  19           HA       CYS  19  -8.988  -0.800   1.177
  106   1HB   CYS  19          2HB       CYS  19  -8.100  -0.456   3.949
  107   2HB   CYS  19          1HB       CYS  19  -9.732   0.152   3.687
  108    H    ARG  20           H        ARG  20  -7.393   1.869   0.719
  109    HA   ARG  20           HA       ARG  20  -9.707   3.748   1.064
  110   1HB   ARG  20          2HB       ARG  20  -7.829   4.623   2.210
  111   2HB   ARG  20          1HB       ARG  20  -6.697   4.018   1.001
  112   1HG   ARG  20          2HG       ARG  20  -6.861   6.421   0.756
  113   2HG   ARG  20          1HG       ARG  20  -7.651   5.670  -0.627
  114   1HD   ARG  20          2HD       ARG  20  -9.580   6.023   1.512
  115   2HD   ARG  20          1HD       ARG  20  -8.767   7.559   1.175
  116    HE   ARG  20           HE       ARG  20 -10.542   6.146  -0.657
  117   1HH1  ARG  20          1HH2      ARG  20  -7.776   8.253  -0.402
  118   2HH1  ARG  20          2HH2      ARG  20  -8.041   8.985  -1.947
  119   1HH2  ARG  20          1HH1      ARG  20 -10.882   7.102  -2.653
  120   2HH2  ARG  20          2HH1      ARG  20  -9.802   8.350  -3.205
  121    H    PHE  21           H        PHE  21 -10.848   3.816  -0.845
  122    HA   PHE  21           HA       PHE  21  -9.372   4.291  -3.388
  123   1HB   PHE  21          2HB       PHE  21 -11.162   1.952  -2.700
  124   2HB   PHE  21          1HB       PHE  21 -10.974   2.474  -4.371
  125    HD1  PHE  21           1HD      PHE  21  -9.706   0.329  -1.906
  126    HD2  PHE  21           2HD      PHE  21  -8.408   2.920  -5.078
  127    HE1  PHE  21           1HE      PHE  21  -7.561  -0.907  -2.040
  128    HE2  PHE  21           2HE      PHE  21  -6.262   1.682  -5.211
  129    HZ   PHE  21           HZ       PHE  21  -5.838  -0.233  -3.688
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1 -14.233  -4.847   1.737
    2   2H    GLY   1          2HT       GLY   1 -15.380  -4.762   0.490
    3   3H    GLY   1          3HT       GLY   1 -14.388  -3.424   0.826
    4   1HA   GLY   1          2HA       GLY   1 -13.279  -6.030  -0.031
    5   2HA   GLY   1          1HA       GLY   1 -13.760  -4.786  -1.183
    6    H    CYS   2           H        CYS   2 -11.042  -5.768  -0.699
    7    HA   CYS   2           HA       CYS   2  -9.736  -3.145  -0.063
    8   1HB   CYS   2          2HB       CYS   2  -9.315  -5.844   1.234
    9   2HB   CYS   2          1HB       CYS   2  -8.024  -4.645   1.214
   10    H    ARG   3           H        ARG   3  -7.518  -3.075  -0.955
   11    HA   ARG   3           HA       ARG   3  -6.982  -5.157  -3.061
   12   1HB   ARG   3          2HB       ARG   3  -8.157  -3.053  -3.876
   13   2HB   ARG   3          1HB       ARG   3  -6.739  -2.140  -3.365
   14   1HG   ARG   3          2HG       ARG   3  -5.354  -3.653  -4.855
   15   2HG   ARG   3          1HG       ARG   3  -6.872  -4.297  -5.486
   16   1HD   ARG   3          2HD       ARG   3  -7.495  -1.795  -5.940
   17   2HD   ARG   3          1HD       ARG   3  -5.752  -1.505  -5.764
   18    HE   ARG   3           HE       ARG   3  -5.861  -3.680  -7.454
   19   1HH1  ARG   3          1HH2      ARG   3  -7.303  -0.513  -7.420
   20   2HH1  ARG   3          2HH2      ARG   3  -7.410  -0.413  -9.139
   21   1HH2  ARG   3          1HH1      ARG   3  -5.969  -3.507  -9.696
   22   2HH2  ARG   3          2HH1      ARG   3  -6.653  -2.096 -10.421
   23    H    PHE   4           H        PHE   4  -4.713  -5.348  -3.629
   24    HA   PHE   4           HA       PHE   4  -2.879  -4.631  -1.431
   25   1HB   PHE   4          2HB       PHE   4  -3.132  -6.790  -3.009
   26   2HB   PHE   4          1HB       PHE   4  -1.995  -5.882  -4.001
   27    HD1  PHE   4           1HD      PHE   4  -2.393  -6.282  -0.282
   28    HD2  PHE   4           2HD      PHE   4   0.165  -6.733  -3.710
   29    HE1  PHE   4           1HE      PHE   4  -0.536  -6.991   1.200
   30    HE2  PHE   4           2HE      PHE   4   2.017  -7.444  -2.227
   31    HZ   PHE   4           HZ       PHE   4   1.676  -7.564   0.226
   32    H    CYS   5           H        CYS   5  -1.301  -3.007  -1.584
   33    HA   CYS   5           HA       CYS   5  -1.017  -1.602  -4.222
   34   1HB   CYS   5          2HB       CYS   5  -1.242   0.529  -2.974
   35   2HB   CYS   5          1HB       CYS   5  -2.692  -0.462  -2.830
   36    H    CYS   6           H        CYS   6   1.017  -0.513  -4.493
   37    HA   CYS   6           HA       CYS   6   3.113  -1.235  -2.467
   38   1HB   CYS   6          2HB       CYS   6   3.481  -0.801  -5.440
   39   2HB   CYS   6          1HB       CYS   6   4.605  -1.570  -4.320
   40    H    ASN   7           H        ASN   7   1.651   1.160  -2.180
   41    HA   ASN   7           HA       ASN   7   3.757   3.138  -2.096
   42   1HB   ASN   7          2HB       ASN   7   3.032   2.918  -4.590
   43   2HB   ASN   7          1HB       ASN   7   1.570   3.768  -4.084
   44   1HD2  ASN   7          1HD2      ASN   7   4.114   4.596  -5.723
   45   2HD2  ASN   7          2HD2      ASN   7   4.551   6.076  -5.020
   46    H    CYS   8           H        CYS   8   2.476   2.651   0.063
   47    HA   CYS   8           HA       CYS   8  -0.043   4.262   0.256
   48   1HB   CYS   8          2HB       CYS   8  -0.495   2.976   2.169
   49   2HB   CYS   8          1HB       CYS   8   0.415   1.824   1.191
   50    H    CYS   9           H        CYS   9   3.179   3.925   1.665
   51    HA   CYS   9           HA       CYS   9   3.046   6.712   2.689
   52   1HB   CYS   9          2HB       CYS   9   3.933   4.454   4.463
   53   2HB   CYS   9          1HB       CYS   9   3.147   5.966   4.904
   54    HA   PRO  10           HA       PRO  10   7.330   6.576   1.559
   55   1HB   PRO  10          2HB       PRO  10   8.415   8.378   3.310
   56   2HB   PRO  10          1HB       PRO  10   7.407   8.851   1.928
   57   1HG   PRO  10          2HG       PRO  10   6.694   8.634   4.807
   58   2HG   PRO  10          1HG       PRO  10   6.164   9.813   3.598
   59   1HD   PRO  10          2HD       PRO  10   4.649   7.693   4.447
   60   2HD   PRO  10          1HD       PRO  10   4.464   8.482   2.863
   61    H    ASN  11           H        ASN  11   6.721   4.347   3.173
   62    HA   ASN  11           HA       ASN  11   9.301   3.880   4.495
   63   1HB   ASN  11          2HB       ASN  11   6.983   4.812   5.942
   64   2HB   ASN  11          1HB       ASN  11   7.375   3.177   6.469
   65   1HD2  ASN  11          1HD2      ASN  11   8.046   6.328   7.233
   66   2HD2  ASN  11          2HD2      ASN  11   9.608   6.145   7.869
   67    H    MET  12           H        MET  12   8.190   2.578   2.275
   68    HA   MET  12           HA       MET  12   7.873  -0.172   3.329
   69   1HB   MET  12          2HB       MET  12   5.599   0.865   3.249
   70   2HB   MET  12          1HB       MET  12   5.821   1.156   1.523
   71   1HG   MET  12          2HG       MET  12   5.587  -1.067   0.976
   72   2HG   MET  12          1HG       MET  12   6.295  -1.621   2.494
   73   1HE   MET  12          1HE       MET  12   3.439  -3.500   2.858
   74   2HE   MET  12          2HE       MET  12   4.109  -2.898   4.372
   75   3HE   MET  12          3HE       MET  12   5.176  -3.208   3.004
   76    H    SER  13           H        SER  13   9.436  -1.205   2.141
   77    HA   SER  13           HA       SER  13   9.993  -0.340  -0.650
   78   1HB   SER  13          2HB       SER  13  11.439  -2.581   0.697
   79   2HB   SER  13          1HB       SER  13  12.080  -1.268  -0.284
   80    HG   SER  13           HG       SER  13  12.201  -0.021   1.449
   81    H    GLY  14           H        GLY  14   7.474  -1.545  -0.483
   82   1HA   GLY  14          2HA       GLY  14   7.699  -3.702  -2.354
   83   2HA   GLY  14          1HA       GLY  14   7.354  -4.357  -0.751
   84    H    CYS  15           H        CYS  15   5.202  -4.788  -0.612
   85    HA   CYS  15           HA       CYS  15   3.272  -2.683  -1.519
   86   1HB   CYS  15          2HB       CYS  15   3.095  -5.671  -1.997
   87   2HB   CYS  15          1HB       CYS  15   1.902  -4.476  -2.506
   88    H    GLY  16           H        GLY  16   1.226  -2.732  -0.376
   89   1HA   GLY  16          2HA       GLY  16   1.101  -4.523   2.013
   90   2HA   GLY  16          1HA       GLY  16   0.969  -2.777   2.245
   91    H    VAL  17           H        VAL  17  -1.192  -3.888   3.140
   92    HA   VAL  17           HA       VAL  17  -3.198  -4.395   1.030
   93    HB   VAL  17           HB       VAL  17  -3.545  -4.110   4.033
   94   1HG1  VAL  17          1HG1      VAL  17  -5.627  -4.159   2.706
   95   2HG1  VAL  17          2HG1      VAL  17  -5.447  -5.639   3.646
   96   3HG1  VAL  17          3HG1      VAL  17  -5.084  -5.653   1.924
   97   1HG2  VAL  17          1HG2      VAL  17  -2.430  -6.335   2.367
   98   2HG2  VAL  17          2HG2      VAL  17  -3.413  -6.741   3.773
   99   3HG2  VAL  17          3HG2      VAL  17  -1.935  -5.793   3.966
  100    H    CYS  18           H        CYS  18  -4.588  -2.858   0.244
  101    HA   CYS  18           HA       CYS  18  -4.774  -0.226   1.676
  102   1HB   CYS  18          2HB       CYS  18  -4.236  -1.017  -1.150
  103   2HB   CYS  18          1HB       CYS  18  -5.239   0.411  -0.911
  104    H    CYS  19           H        CYS  19  -6.886   0.169   2.325
  105    HA   CYS  19           HA       CYS  19  -9.101  -1.202   0.813
  106   1HB   CYS  19          2HB       CYS  19  -8.874  -0.309   3.707
  107   2HB   CYS  19          1HB       CYS  19 -10.290  -1.080   2.998
  108    H    ARG  20           H        ARG  20  -7.714   1.832   1.343
  109    HA   ARG  20           HA       ARG  20 -10.330   3.264   1.016
  110   1HB   ARG  20          2HB       ARG  20  -7.611   4.310   1.862
  111   2HB   ARG  20          1HB       ARG  20  -9.137   5.187   1.949
  112   1HG   ARG  20          2HG       ARG  20  -9.975   3.778   3.665
  113   2HG   ARG  20          1HG       ARG  20  -8.720   2.567   3.414
  114   1HD   ARG  20          2HD       ARG  20  -7.637   3.615   5.156
  115   2HD   ARG  20          1HD       ARG  20  -7.264   4.877   3.963
  116    HE   ARG  20           HE       ARG  20  -9.919   5.078   5.227
  117   1HH1  ARG  20          1HH2      ARG  20  -6.572   6.067   5.160
  118   2HH1  ARG  20          2HH2      ARG  20  -6.843   7.497   6.083
  119   1HH2  ARG  20          1HH1      ARG  20 -10.267   6.982   6.421
  120   2HH2  ARG  20          2HH1      ARG  20  -8.938   8.022   6.776
  121    H    PHE  21           H        PHE  21 -10.666   4.272  -0.976
  122    HA   PHE  21           HA       PHE  21  -8.292   4.872  -2.687
  123   1HB   PHE  21          2HB       PHE  21 -10.711   3.173  -3.330
  124   2HB   PHE  21          1HB       PHE  21  -9.699   3.875  -4.592
  125    HD1  PHE  21           1HD      PHE  21  -7.326   3.210  -4.827
  126    HD2  PHE  21           2HD      PHE  21  -9.909   1.365  -1.927
  127    HE1  PHE  21           1HE      PHE  21  -5.691   1.374  -4.537
  128    HE2  PHE  21           2HE      PHE  21  -8.272  -0.469  -1.645
  129    HZ   PHE  21           HZ       PHE  21  -6.160  -0.474  -2.943
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1 -14.829  -3.370  -0.409
    2   2H    GLY   1          2HT       GLY   1 -13.856  -2.649   0.780
    3   3H    GLY   1          3HT       GLY   1 -14.906  -3.916   1.194
    4   1HA   GLY   1          2HA       GLY   1 -13.213  -5.304   0.932
    5   2HA   GLY   1          1HA       GLY   1 -13.370  -4.983  -0.794
    6    H    CYS   2           H        CYS   2 -10.849  -5.535   0.432
    7    HA   CYS   2           HA       CYS   2  -9.508  -2.852   0.282
    8   1HB   CYS   2          2HB       CYS   2  -8.762  -5.434   1.709
    9   2HB   CYS   2          1HB       CYS   2  -7.727  -4.013   1.639
   10    H    ARG   3           H        ARG   3  -7.353  -2.886  -0.825
   11    HA   ARG   3           HA       ARG   3  -7.039  -5.192  -2.725
   12   1HB   ARG   3          2HB       ARG   3  -8.186  -2.984  -3.530
   13   2HB   ARG   3          1HB       ARG   3  -6.552  -2.323  -3.486
   14   1HG   ARG   3          2HG       ARG   3  -5.936  -3.426  -5.350
   15   2HG   ARG   3          1HG       ARG   3  -6.640  -4.941  -4.784
   16   1HD   ARG   3          2HD       ARG   3  -7.828  -4.278  -6.794
   17   2HD   ARG   3          1HD       ARG   3  -8.919  -3.993  -5.424
   18    HE   ARG   3           HE       ARG   3  -7.323  -1.658  -5.867
   19   1HH1  ARG   3          1HH2      ARG   3  -9.911  -3.502  -7.274
   20   2HH1  ARG   3          2HH2      ARG   3 -10.653  -2.131  -8.009
   21   1HH2  ARG   3          1HH1      ARG   3  -8.274   0.130  -6.887
   22   2HH2  ARG   3          2HH1      ARG   3  -9.728  -0.076  -7.800
   23    H    PHE   4           H        PHE   4  -4.832  -5.475  -3.492
   24    HA   PHE   4           HA       PHE   4  -2.795  -4.725  -1.489
   25   1HB   PHE   4          2HB       PHE   4  -3.251  -6.959  -2.864
   26   2HB   PHE   4          1HB       PHE   4  -2.261  -6.152  -4.080
   27    HD1  PHE   4           1HD      PHE   4  -0.041  -6.847  -4.037
   28    HD2  PHE   4           2HD      PHE   4  -2.169  -6.440  -0.328
   29    HE1  PHE   4           1HE      PHE   4   2.004  -7.500  -2.790
   30    HE2  PHE   4           2HE      PHE   4  -0.125  -7.091   0.920
   31    HZ   PHE   4           HZ       PHE   4   1.960  -7.619  -0.314
   32    H    CYS   5           H        CYS   5  -1.195  -3.162  -1.826
   33    HA   CYS   5           HA       CYS   5  -0.843  -2.037  -4.565
   34   1HB   CYS   5          2HB       CYS   5  -1.172   0.269  -3.586
   35   2HB   CYS   5          1HB       CYS   5  -2.631  -0.722  -3.604
   36    H    CYS   6           H        CYS   6   1.146  -0.732  -4.735
   37    HA   CYS   6           HA       CYS   6   3.114  -1.356  -2.560
   38   1HB   CYS   6          2HB       CYS   6   3.695  -0.825  -5.485
   39   2HB   CYS   6          1HB       CYS   6   4.744  -1.604  -4.299
   40    H    ASN   7           H        ASN   7   1.500   1.005  -2.410
   41    HA   ASN   7           HA       ASN   7   3.570   3.034  -2.155
   42   1HB   ASN   7          2HB       ASN   7   2.973   2.855  -4.672
   43   2HB   ASN   7          1HB       ASN   7   1.435   3.598  -4.232
   44   1HD2  ASN   7          1HD2      ASN   7   1.427   5.872  -3.952
   45   2HD2  ASN   7          2HD2      ASN   7   2.827   6.829  -3.955
   46    H    CYS   8           H        CYS   8   2.247   2.494  -0.042
   47    HA   CYS   8           HA       CYS   8  -0.329   4.024   0.071
   48   1HB   CYS   8          2HB       CYS   8  -0.858   2.639   1.885
   49   2HB   CYS   8          1HB       CYS   8   0.134   1.561   0.907
   50    H    CYS   9           H        CYS   9   2.822   3.715   1.667
   51    HA   CYS   9           HA       CYS   9   2.473   6.431   2.829
   52   1HB   CYS   9          2HB       CYS   9   3.370   4.097   4.507
   53   2HB   CYS   9          1HB       CYS   9   2.512   5.551   5.007
   54    HA   PRO  10           HA       PRO  10   6.804   6.608   1.911
   55   1HB   PRO  10          2HB       PRO  10   7.639   8.480   3.728
   56   2HB   PRO  10          1HB       PRO  10   6.688   8.882   2.283
   57   1HG   PRO  10          2HG       PRO  10   5.813   8.601   5.109
   58   2HG   PRO  10          1HG       PRO  10   5.266   9.737   3.868
   59   1HD   PRO  10          2HD       PRO  10   3.884   7.494   4.633
   60   2HD   PRO  10          1HD       PRO  10   3.713   8.276   3.045
   61    H    ASN  11           H        ASN  11   6.362   4.301   3.352
   62    HA   ASN  11           HA       ASN  11   8.825   4.070   4.943
   63   1HB   ASN  11          2HB       ASN  11   6.624   4.924   6.283
   64   2HB   ASN  11          1HB       ASN  11   6.405   3.179   6.422
   65   1HD2  ASN  11          1HD2      ASN  11   6.905   4.321   8.830
   66   2HD2  ASN  11          2HD2      ASN  11   8.515   4.107   9.316
   67    H    MET  12           H        MET  12   7.666   2.831   2.519
   68    HA   MET  12           HA       MET  12   8.082   0.010   3.249
   69   1HB   MET  12          2HB       MET  12   5.456   1.257   2.825
   70   2HB   MET  12          1HB       MET  12   5.727  -0.132   1.773
   71   1HG   MET  12          2HG       MET  12   5.975  -1.613   3.573
   72   2HG   MET  12          1HG       MET  12   6.373  -0.321   4.707
   73   1HE   MET  12          1HE       MET  12   2.310  -1.884   3.411
   74   2HE   MET  12          2HE       MET  12   3.853  -2.723   3.534
   75   3HE   MET  12          3HE       MET  12   3.596  -1.555   2.241
   76    H    SER  13           H        SER  13   9.306  -0.816   1.594
   77    HA   SER  13           HA       SER  13   9.247   0.558  -1.058
   78   1HB   SER  13          2HB       SER  13  11.269  -1.519  -0.362
   79   2HB   SER  13          1HB       SER  13  11.489   0.030  -1.177
   80    HG   SER  13           HG       SER  13  12.333   0.387   0.789
   81    H    GLY  14           H        GLY  14   7.436  -1.768   0.110
   82   1HA   GLY  14          2HA       GLY  14   7.704  -3.494  -2.320
   83   2HA   GLY  14          1HA       GLY  14   7.365  -4.195  -0.738
   84    H    CYS  15           H        CYS  15   5.266  -4.874  -0.824
   85    HA   CYS  15           HA       CYS  15   3.193  -2.864  -1.643
   86   1HB   CYS  15          2HB       CYS  15   3.237  -5.833  -2.269
   87   2HB   CYS  15          1HB       CYS  15   2.032  -4.667  -2.821
   88    H    GLY  16           H        GLY  16   1.158  -3.116  -0.518
   89   1HA   GLY  16          2HA       GLY  16   0.999  -5.154   1.625
   90   2HA   GLY  16          1HA       GLY  16   0.986  -3.465   2.132
   91    H    VAL  17           H        VAL  17  -1.234  -4.980   2.707
   92    HA   VAL  17           HA       VAL  17  -3.266  -4.691   0.599
   93    HB   VAL  17           HB       VAL  17  -3.488  -5.367   3.556
   94   1HG1  VAL  17          1HG1      VAL  17  -5.330  -5.854   1.197
   95   2HG1  VAL  17          2HG1      VAL  17  -5.648  -4.819   2.592
   96   3HG1  VAL  17          3HG1      VAL  17  -5.546  -6.567   2.795
   97   1HG2  VAL  17          1HG2      VAL  17  -1.963  -6.924   2.454
   98   2HG2  VAL  17          2HG2      VAL  17  -3.112  -7.159   1.137
   99   3HG2  VAL  17          3HG2      VAL  17  -3.502  -7.729   2.759
  100    H    CYS  18           H        CYS  18  -4.390  -2.824   0.282
  101    HA   CYS  18           HA       CYS  18  -4.654  -0.904   2.577
  102   1HB   CYS  18          2HB       CYS  18  -4.504   0.850   0.690
  103   2HB   CYS  18          1HB       CYS  18  -3.014   0.042   1.160
  104    H    CYS  19           H        CYS  19  -6.656   0.231   2.665
  105    HA   CYS  19           HA       CYS  19  -8.780  -0.756   0.782
  106   1HB   CYS  19          2HB       CYS  19  -8.485  -1.078   3.557
  107   2HB   CYS  19          1HB       CYS  19  -9.727   0.160   3.361
  108    H    ARG  20           H        ARG  20  -7.019   1.894   1.105
  109    HA   ARG  20           HA       ARG  20  -9.315   3.835   1.019
  110   1HB   ARG  20          2HB       ARG  20  -6.331   4.268   1.518
  111   2HB   ARG  20          1HB       ARG  20  -7.582   5.504   1.635
  112   1HG   ARG  20          2HG       ARG  20  -7.963   4.923   3.758
  113   2HG   ARG  20          1HG       ARG  20  -8.447   3.309   3.231
  114   1HD   ARG  20          2HD       ARG  20  -6.570   2.430   4.113
  115   2HD   ARG  20          1HD       ARG  20  -5.561   3.520   3.152
  116    HE   ARG  20           HE       ARG  20  -6.539   4.020   5.913
  117   1HH1  ARG  20          1HH2      ARG  20  -4.980   5.231   3.062
  118   2HH1  ARG  20          2HH2      ARG  20  -4.181   6.499   3.898
  119   1HH2  ARG  20          1HH1      ARG  20  -5.480   5.676   6.979
  120   2HH2  ARG  20          2HH1      ARG  20  -4.462   6.761   6.101
  121    H    PHE  21           H        PHE  21  -9.844   4.420  -1.052
  122    HA   PHE  21           HA       PHE  21  -7.650   4.834  -3.034
  123   1HB   PHE  21          2HB       PHE  21 -10.186   3.195  -3.354
  124   2HB   PHE  21          1HB       PHE  21  -9.124   3.639  -4.688
  125    HD1  PHE  21           1HD      PHE  21  -9.559   1.492  -1.753
  126    HD2  PHE  21           2HD      PHE  21  -6.813   2.734  -4.815
  127    HE1  PHE  21           1HE      PHE  21  -8.097  -0.432  -1.235
  128    HE2  PHE  21           2HE      PHE  21  -5.350   0.803  -4.297
  129    HZ   PHE  21           HZ       PHE  21  -5.983  -0.777  -2.489
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1 -14.070  -5.198   1.772
    2   2H    GLY   1          2HT       GLY   1 -13.510  -4.049   2.889
    3   3H    GLY   1          3HT       GLY   1 -12.429  -5.153   2.188
    4   1HA   GLY   1          2HA       GLY   1 -13.210  -4.117  -0.032
    5   2HA   GLY   1          1HA       GLY   1 -13.673  -2.768   1.004
    6    H    CYS   2           H        CYS   2 -10.897  -4.862   0.179
    7    HA   CYS   2           HA       CYS   2  -9.113  -2.502   0.514
    8   1HB   CYS   2          2HB       CYS   2  -8.962  -5.157   1.958
    9   2HB   CYS   2          1HB       CYS   2  -7.553  -4.114   1.788
   10    H    ARG   3           H        ARG   3  -7.093  -2.782  -0.712
   11    HA   ARG   3           HA       ARG   3  -7.032  -5.149  -2.550
   12   1HB   ARG   3          2HB       ARG   3  -8.132  -3.021  -3.463
   13   2HB   ARG   3          1HB       ARG   3  -6.537  -2.274  -3.369
   14   1HG   ARG   3          2HG       ARG   3  -6.790  -3.122  -5.615
   15   2HG   ARG   3          1HG       ARG   3  -5.656  -4.178  -4.778
   16   1HD   ARG   3          2HD       ARG   3  -8.179  -5.289  -4.229
   17   2HD   ARG   3          1HD       ARG   3  -8.241  -4.853  -5.949
   18    HE   ARG   3           HE       ARG   3  -5.777  -5.994  -5.798
   19   1HH1  ARG   3          1HH2      ARG   3  -8.861  -6.992  -4.521
   20   2HH1  ARG   3          2HH2      ARG   3  -8.488  -8.679  -4.593
   21   1HH2  ARG   3          1HH1      ARG   3  -5.280  -8.203  -5.854
   22   2HH2  ARG   3          2HH1      ARG   3  -6.460  -9.360  -5.335
   23    H    PHE   4           H        PHE   4  -4.900  -5.602  -3.387
   24    HA   PHE   4           HA       PHE   4  -2.719  -4.863  -1.547
   25   1HB   PHE   4          2HB       PHE   4  -3.398  -7.134  -2.831
   26   2HB   PHE   4          1HB       PHE   4  -2.307  -6.458  -4.041
   27    HD1  PHE   4           1HD      PHE   4   0.038  -6.575  -3.756
   28    HD2  PHE   4           2HD      PHE   4  -2.557  -7.339  -0.416
   29    HE1  PHE   4           1HE      PHE   4   1.986  -7.320  -2.411
   30    HE2  PHE   4           2HE      PHE   4  -0.609  -8.086   0.923
   31    HZ   PHE   4           HZ       PHE   4   1.662  -8.075  -0.073
   32    H    CYS   5           H        CYS   5  -1.124  -3.356  -2.043
   33    HA   CYS   5           HA       CYS   5  -0.808  -2.458  -4.874
   34   1HB   CYS   5          2HB       CYS   5  -1.015  -0.090  -4.088
   35   2HB   CYS   5          1HB       CYS   5  -2.507  -1.002  -3.871
   36    H    CYS   6           H        CYS   6   1.181  -1.072  -5.100
   37    HA   CYS   6           HA       CYS   6   3.235  -1.784  -3.034
   38   1HB   CYS   6          2HB       CYS   6   3.542  -1.243  -6.005
   39   2HB   CYS   6          1HB       CYS   6   4.816  -1.789  -4.915
   40    H    ASN   7           H        ASN   7   1.526   0.564  -2.918
   41    HA   ASN   7           HA       ASN   7   3.466   2.602  -2.353
   42   1HB   ASN   7          2HB       ASN   7   3.635   2.654  -4.810
   43   2HB   ASN   7          1HB       ASN   7   1.890   2.885  -4.933
   44   1HD2  ASN   7          1HD2      ASN   7   1.382   5.057  -5.290
   45   2HD2  ASN   7          2HD2      ASN   7   2.243   6.373  -4.655
   46    H    CYS   8           H        CYS   8   2.244   3.018  -0.496
   47    HA   CYS   8           HA       CYS   8  -0.452   4.276  -0.918
   48   1HB   CYS   8          2HB       CYS   8  -1.454   2.884   0.674
   49   2HB   CYS   8          1HB       CYS   8  -0.328   1.763  -0.086
   50    H    CYS   9           H        CYS   9   2.246   3.719   1.306
   51    HA   CYS   9           HA       CYS   9   1.863   6.439   2.447
   52   1HB   CYS   9          2HB       CYS   9   2.162   4.029   4.227
   53   2HB   CYS   9          1HB       CYS   9   1.315   5.540   4.544
   54    HA   PRO  10           HA       PRO  10   6.285   6.244   2.448
   55   1HB   PRO  10          2HB       PRO  10   6.854   8.082   4.400
   56   2HB   PRO  10          1HB       PRO  10   6.288   8.531   2.778
   57   1HG   PRO  10          2HG       PRO  10   4.767   8.365   5.334
   58   2HG   PRO  10          1HG       PRO  10   4.641   9.542   4.017
   59   1HD   PRO  10          2HD       PRO  10   2.883   7.491   4.365
   60   2HD   PRO  10          1HD       PRO  10   3.248   8.216   2.783
   61    H    ASN  11           H        ASN  11   5.533   3.983   3.643
   62    HA   ASN  11           HA       ASN  11   7.394   3.691   5.916
   63   1HB   ASN  11          2HB       ASN  11   4.795   4.422   6.442
   64   2HB   ASN  11          1HB       ASN  11   4.694   2.663   6.540
   65   1HD2  ASN  11          1HD2      ASN  11   7.089   5.177   7.589
   66   2HD2  ASN  11          2HD2      ASN  11   7.297   4.518   9.142
   67    H    MET  12           H        MET  12   6.782   2.530   3.108
   68    HA   MET  12           HA       MET  12   7.502  -0.210   3.677
   69   1HB   MET  12          2HB       MET  12   5.048  -0.055   4.353
   70   2HB   MET  12          1HB       MET  12   4.679   0.251   2.655
   71   1HG   MET  12          2HG       MET  12   5.530  -1.897   1.998
   72   2HG   MET  12          1HG       MET  12   6.241  -2.171   3.588
   73   1HE   MET  12          1HE       MET  12   3.282  -1.246   1.643
   74   2HE   MET  12          2HE       MET  12   2.365  -0.697   3.043
   75   3HE   MET  12          3HE       MET  12   1.921  -2.202   2.240
   76    H    SER  13           H        SER  13   9.076   0.410   2.025
   77    HA   SER  13           HA       SER  13   8.185   1.225  -0.640
   78   1HB   SER  13          2HB       SER  13  10.901   0.144   0.131
   79   2HB   SER  13          1HB       SER  13  10.517   1.384  -1.063
   80    HG   SER  13           HG       SER  13  11.294   2.370   0.802
   81    H    GLY  14           H        GLY  14   6.710  -0.923  -0.474
   82   1HA   GLY  14          2HA       GLY  14   7.918  -2.844  -2.320
   83   2HA   GLY  14          1HA       GLY  14   7.559  -3.522  -0.730
   84    H    CYS  15           H        CYS  15   5.700  -4.709  -0.988
   85    HA   CYS  15           HA       CYS  15   3.333  -3.321  -2.202
   86   1HB   CYS  15          2HB       CYS  15   4.302  -6.172  -2.609
   87   2HB   CYS  15          1HB       CYS  15   2.772  -5.548  -3.222
   88    H    GLY  16           H        GLY  16   1.441  -3.585  -1.022
   89   1HA   GLY  16          2HA       GLY  16   1.145  -5.782   0.901
   90   2HA   GLY  16          1HA       GLY  16   1.335  -4.201   1.656
   91    H    VAL  17           H        VAL  17  -1.008  -5.342   2.196
   92    HA   VAL  17           HA       VAL  17  -3.057  -4.668   0.198
   93    HB   VAL  17           HB       VAL  17  -3.191  -6.657   1.685
   94   1HG1  VAL  17          1HG1      VAL  17  -2.360  -4.855   3.669
   95   2HG1  VAL  17          2HG1      VAL  17  -2.826  -6.539   3.903
   96   3HG1  VAL  17          3HG1      VAL  17  -4.022  -5.256   4.089
   97   1HG2  VAL  17          1HG2      VAL  17  -5.225  -5.092   0.916
   98   2HG2  VAL  17          2HG2      VAL  17  -5.409  -4.917   2.662
   99   3HG2  VAL  17          3HG2      VAL  17  -5.477  -6.518   1.923
  100    H    CYS  18           H        CYS  18  -4.059  -2.712   0.067
  101    HA   CYS  18           HA       CYS  18  -3.928  -0.880   2.437
  102   1HB   CYS  18          2HB       CYS  18  -3.738   0.939   0.615
  103   2HB   CYS  18          1HB       CYS  18  -2.316  -0.067   0.884
  104    H    CYS  19           H        CYS  19  -5.774   0.465   2.717
  105    HA   CYS  19           HA       CYS  19  -8.130  -0.232   0.987
  106   1HB   CYS  19          2HB       CYS  19  -8.200   0.498   3.925
  107   2HB   CYS  19          1HB       CYS  19  -9.459  -0.289   2.975
  108    H    ARG  20           H        ARG  20  -6.156   2.111   0.885
  109    HA   ARG  20           HA       ARG  20  -8.090   4.358   1.373
  110   1HB   ARG  20          2HB       ARG  20  -6.111   4.778   2.596
  111   2HB   ARG  20          1HB       ARG  20  -5.075   4.071   1.352
  112   1HG   ARG  20          2HG       ARG  20  -5.157   5.966   0.004
  113   2HG   ARG  20          1HG       ARG  20  -6.710   6.495   0.652
  114   1HD   ARG  20          2HD       ARG  20  -5.411   7.990   1.821
  115   2HD   ARG  20          1HD       ARG  20  -5.148   6.612   2.909
  116    HE   ARG  20           HE       ARG  20  -3.213   6.118   1.078
  117   1HH1  ARG  20          1HH2      ARG  20  -4.178   9.103   2.594
  118   2HH1  ARG  20          2HH2      ARG  20  -2.628   9.846   2.418
  119   1HH2  ARG  20          1HH1      ARG  20  -1.161   7.046   0.922
  120   2HH2  ARG  20          2HH1      ARG  20  -0.896   8.668   1.478
  121    H    PHE  21           H        PHE  21  -9.155   4.808  -0.523
  122    HA   PHE  21           HA       PHE  21  -7.527   5.090  -3.023
  123   1HB   PHE  21          2HB       PHE  21 -10.050   3.467  -2.583
  124   2HB   PHE  21          1HB       PHE  21  -9.458   3.896  -4.186
  125    HD1  PHE  21           1HD      PHE  21  -9.172   1.579  -1.454
  126    HD2  PHE  21           2HD      PHE  21  -7.012   3.270  -4.761
  127    HE1  PHE  21           1HE      PHE  21  -7.569  -0.303  -1.370
  128    HE2  PHE  21           2HE      PHE  21  -5.408   1.391  -4.679
  129    HZ   PHE  21           HZ       PHE  21  -5.680  -0.403  -2.978
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1 -14.364  -4.102   1.279
    2   2H    GLY   1          2HT       GLY   1 -14.976  -2.636   0.684
    3   3H    GLY   1          3HT       GLY   1 -13.542  -2.650   1.589
    4   1HA   GLY   1          2HA       GLY   1 -13.423  -4.366  -0.709
    5   2HA   GLY   1          1HA       GLY   1 -13.691  -2.668  -1.112
    6    H    CYS   2           H        CYS   2 -11.259  -4.850  -0.655
    7    HA   CYS   2           HA       CYS   2  -9.323  -2.670   0.019
    8   1HB   CYS   2          2HB       CYS   2  -9.740  -5.338   1.369
    9   2HB   CYS   2          1HB       CYS   2  -8.162  -4.552   1.406
   10    H    ARG   3           H        ARG   3  -7.167  -3.084  -0.846
   11    HA   ARG   3           HA       ARG   3  -6.831  -5.445  -2.641
   12   1HB   ARG   3          2HB       ARG   3  -7.957  -3.418  -3.794
   13   2HB   ARG   3          1HB       ARG   3  -6.406  -2.602  -3.617
   14   1HG   ARG   3          2HG       ARG   3  -6.078  -3.536  -5.699
   15   2HG   ARG   3          1HG       ARG   3  -5.518  -4.882  -4.705
   16   1HD   ARG   3          2HD       ARG   3  -7.353  -6.185  -5.201
   17   2HD   ARG   3          1HD       ARG   3  -8.444  -4.792  -5.265
   18    HE   ARG   3           HE       ARG   3  -7.774  -4.378  -7.522
   19   1HH1  ARG   3          1HH2      ARG   3  -5.981  -6.976  -6.061
   20   2HH1  ARG   3          2HH2      ARG   3  -5.364  -7.555  -7.567
   21   1HH2  ARG   3          1HH1      ARG   3  -6.956  -5.132  -9.465
   22   2HH2  ARG   3          2HH1      ARG   3  -5.919  -6.516  -9.481
   23    H    PHE   4           H        PHE   4  -4.550  -5.744  -3.239
   24    HA   PHE   4           HA       PHE   4  -2.670  -4.766  -1.197
   25   1HB   PHE   4          2HB       PHE   4  -2.978  -7.087  -2.542
   26   2HB   PHE   4          1HB       PHE   4  -1.830  -6.305  -3.627
   27    HD1  PHE   4           1HD      PHE   4   0.369  -6.929  -3.246
   28    HD2  PHE   4           2HD      PHE   4  -2.291  -6.535   0.103
   29    HE1  PHE   4           1HE      PHE   4   2.220  -7.528  -1.705
   30    HE2  PHE   4           2HE      PHE   4  -0.440  -7.126   1.642
   31    HZ   PHE   4           HZ       PHE   4   1.817  -7.616   0.738
   32    H    CYS   5           H        CYS   5  -1.179  -3.090  -1.536
   33    HA   CYS   5           HA       CYS   5  -0.877  -2.047  -4.338
   34   1HB   CYS   5          2HB       CYS   5  -1.349   0.171  -3.542
   35   2HB   CYS   5          1HB       CYS   5  -2.604  -0.867  -2.866
   36    H    CYS   6           H        CYS   6   1.086  -0.805  -4.682
   37    HA   CYS   6           HA       CYS   6   3.257  -1.455  -2.719
   38   1HB   CYS   6          2HB       CYS   6   3.024  -1.172  -5.683
   39   2HB   CYS   6          1HB       CYS   6   4.553  -0.691  -4.950
   40    H    ASN   7           H        ASN   7   1.524   0.744  -2.145
   41    HA   ASN   7           HA       ASN   7   3.444   2.899  -1.837
   42   1HB   ASN   7          2HB       ASN   7   2.640   2.872  -4.323
   43   2HB   ASN   7          1HB       ASN   7   1.135   3.526  -3.675
   44   1HD2  ASN   7          1HD2      ASN   7   1.373   5.603  -2.346
   45   2HD2  ASN   7          2HD2      ASN   7   2.626   6.672  -2.765
   46    H    CYS   8           H        CYS   8   1.924   1.665   0.105
   47    HA   CYS   8           HA       CYS   8  -0.618   3.057   0.571
   48   1HB   CYS   8          2HB       CYS   8  -0.776   1.619   2.435
   49   2HB   CYS   8          1HB       CYS   8   0.215   0.676   1.323
   50    H    CYS   9           H        CYS   9   2.674   3.178   1.848
   51    HA   CYS   9           HA       CYS   9   2.087   5.804   3.121
   52   1HB   CYS   9          2HB       CYS   9   3.501   3.596   4.598
   53   2HB   CYS   9          1HB       CYS   9   2.512   4.900   5.245
   54    HA   PRO  10           HA       PRO  10   6.221   6.615   1.746
   55   1HB   PRO  10          2HB       PRO  10   6.993   8.540   3.529
   56   2HB   PRO  10          1HB       PRO  10   5.825   8.836   2.226
   57   1HG   PRO  10          2HG       PRO  10   5.354   8.379   5.122
   58   2HG   PRO  10          1HG       PRO  10   4.497   9.434   3.990
   59   1HD   PRO  10          2HD       PRO  10   3.573   6.989   4.843
   60   2HD   PRO  10          1HD       PRO  10   3.078   7.782   3.331
   61    H    ASN  11           H        ASN  11   6.151   4.258   3.336
   62    HA   ASN  11           HA       ASN  11   8.866   4.287   4.457
   63   1HB   ASN  11          2HB       ASN  11   6.616   4.835   6.099
   64   2HB   ASN  11          1HB       ASN  11   7.123   3.191   6.489
   65   1HD2  ASN  11          1HD2      ASN  11   7.840   6.503   7.042
   66   2HD2  ASN  11          2HD2      ASN  11   9.358   6.283   7.767
   67    H    MET  12           H        MET  12   7.636   2.854   2.283
   68    HA   MET  12           HA       MET  12   8.155   0.073   3.160
   69   1HB   MET  12          2HB       MET  12   5.713   0.642   3.572
   70   2HB   MET  12          1HB       MET  12   5.546   0.883   1.832
   71   1HG   MET  12          2HG       MET  12   5.406  -1.335   1.466
   72   2HG   MET  12          1HG       MET  12   6.871  -1.640   2.400
   73   1HE   MET  12          1HE       MET  12   5.537  -4.004   2.995
   74   2HE   MET  12          2HE       MET  12   4.209  -3.346   2.044
   75   3HE   MET  12          3HE       MET  12   3.893  -3.992   3.651
   76    H    SER  13           H        SER  13   9.546  -0.646   1.570
   77    HA   SER  13           HA       SER  13   9.371   0.532  -1.158
   78   1HB   SER  13          2HB       SER  13  11.581  -0.804  -1.319
   79   2HB   SER  13          1HB       SER  13  11.546   0.560  -0.204
   80    HG   SER  13           HG       SER  13  12.314  -1.043   1.034
   81    H    GLY  14           H        GLY  14   7.274  -1.367  -0.397
   82   1HA   GLY  14          2HA       GLY  14   7.656  -3.301  -2.575
   83   2HA   GLY  14          1HA       GLY  14   7.454  -4.008  -0.969
   84    H    CYS  15           H        CYS  15   5.393  -4.840  -1.099
   85    HA   CYS  15           HA       CYS  15   3.195  -2.911  -1.762
   86   1HB   CYS  15          2HB       CYS  15   3.914  -5.517  -2.832
   87   2HB   CYS  15          1HB       CYS  15   2.271  -5.522  -2.196
   88    H    GLY  16           H        GLY  16   1.348  -2.992  -0.439
   89   1HA   GLY  16          2HA       GLY  16   1.333  -4.921   1.823
   90   2HA   GLY  16          1HA       GLY  16   1.306  -3.198   2.199
   91    H    VAL  17           H        VAL  17  -0.827  -4.135   3.202
   92    HA   VAL  17           HA       VAL  17  -3.036  -4.613   1.341
   93    HB   VAL  17           HB       VAL  17  -3.026  -3.995   4.322
   94   1HG1  VAL  17          1HG1      VAL  17  -5.256  -3.841   3.518
   95   2HG1  VAL  17          2HG1      VAL  17  -5.126  -5.473   4.178
   96   3HG1  VAL  17          3HG1      VAL  17  -5.046  -5.212   2.434
   97   1HG2  VAL  17          1HG2      VAL  17  -2.364  -6.461   2.755
   98   2HG2  VAL  17          2HG2      VAL  17  -3.306  -6.664   4.230
   99   3HG2  VAL  17          3HG2      VAL  17  -1.718  -5.906   4.303
  100    H    CYS  18           H        CYS  18  -4.242  -3.023   0.391
  101    HA   CYS  18           HA       CYS  18  -4.151  -0.255   1.562
  102   1HB   CYS  18          2HB       CYS  18  -3.607  -1.374  -1.090
  103   2HB   CYS  18          1HB       CYS  18  -4.806  -0.082  -1.154
  104    H    CYS  19           H        CYS  19  -6.137   0.458   2.216
  105    HA   CYS  19           HA       CYS  19  -8.572  -0.732   0.918
  106   1HB   CYS  19          2HB       CYS  19  -7.999  -0.004   3.803
  107   2HB   CYS  19          1HB       CYS  19  -9.597  -0.444   3.208
  108    H    ARG  20           H        ARG  20  -6.870   1.961   0.779
  109    HA   ARG  20           HA       ARG  20  -9.158   3.851   1.172
  110   1HB   ARG  20          2HB       ARG  20  -7.343   4.581   2.459
  111   2HB   ARG  20          1HB       ARG  20  -6.155   4.020   1.289
  112   1HG   ARG  20          2HG       ARG  20  -6.043   6.294   0.919
  113   2HG   ARG  20          1HG       ARG  20  -7.306   5.872  -0.239
  114   1HD   ARG  20          2HD       ARG  20  -9.051   6.472   1.427
  115   2HD   ARG  20          1HD       ARG  20  -7.769   6.904   2.592
  116    HE   ARG  20           HE       ARG  20  -7.315   8.855   1.330
  117   1HH1  ARG  20          1HH2      ARG  20  -9.280   6.635  -0.476
  118   2HH1  ARG  20          2HH2      ARG  20  -9.566   7.742  -1.766
  119   1HH2  ARG  20          1HH1      ARG  20  -7.717  10.300  -0.325
  120   2HH2  ARG  20          2HH1      ARG  20  -8.696   9.838  -1.669
  121    H    PHE  21           H        PHE  21 -10.215   4.129  -0.773
  122    HA   PHE  21           HA       PHE  21  -8.557   4.699  -3.196
  123   1HB   PHE  21          2HB       PHE  21 -10.829   2.698  -2.920
  124   2HB   PHE  21          1HB       PHE  21 -10.154   3.196  -4.469
  125    HD1  PHE  21           1HD      PHE  21  -7.526   3.015  -4.668
  126    HD2  PHE  21           2HD      PHE  21  -9.903   0.851  -1.821
  127    HE1  PHE  21           1HE      PHE  21  -5.704   1.349  -4.423
  128    HE2  PHE  21           2HE      PHE  21  -8.083  -0.814  -1.575
  129    HZ   PHE  21           HZ       PHE  21  -5.986  -0.570  -2.873
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1 -14.442  -1.557   0.052
    2   2H    GLY   1          2HT       GLY   1 -13.226  -1.745  -1.123
    3   3H    GLY   1          3HT       GLY   1 -13.001  -0.681   0.179
    4   1HA   GLY   1          2HA       GLY   1 -13.215  -2.666   1.692
    5   2HA   GLY   1          1HA       GLY   1 -13.046  -3.638   0.229
    6    H    CYS   2           H        CYS   2 -10.956  -4.446   0.461
    7    HA   CYS   2           HA       CYS   2  -8.761  -2.410   0.724
    8   1HB   CYS   2          2HB       CYS   2  -9.054  -5.197   1.888
    9   2HB   CYS   2          1HB       CYS   2  -7.544  -4.285   1.932
   10    H    ARG   3           H        ARG   3  -6.967  -2.728  -0.646
   11    HA   ARG   3           HA       ARG   3  -7.086  -5.058  -2.523
   12   1HB   ARG   3          2HB       ARG   3  -8.018  -2.631  -3.220
   13   2HB   ARG   3          1HB       ARG   3  -6.301  -2.355  -3.529
   14   1HG   ARG   3          2HG       ARG   3  -6.523  -4.734  -4.744
   15   2HG   ARG   3          1HG       ARG   3  -8.204  -4.211  -4.913
   16   1HD   ARG   3          2HD       ARG   3  -5.965  -2.307  -5.643
   17   2HD   ARG   3          1HD       ARG   3  -6.488  -3.551  -6.797
   18    HE   ARG   3           HE       ARG   3  -8.800  -2.254  -5.705
   19   1HH1  ARG   3          1HH2      ARG   3  -6.140  -1.765  -7.878
   20   2HH1  ARG   3          2HH2      ARG   3  -6.988  -0.610  -8.855
   21   1HH2  ARG   3          1HH1      ARG   3  -9.925  -0.781  -6.992
   22   2HH2  ARG   3          2HH1      ARG   3  -9.127  -0.061  -8.355
   23    H    PHE   4           H        PHE   4  -4.939  -5.543  -3.480
   24    HA   PHE   4           HA       PHE   4  -2.724  -4.897  -1.647
   25   1HB   PHE   4          2HB       PHE   4  -3.443  -7.107  -3.022
   26   2HB   PHE   4          1HB       PHE   4  -2.329  -6.399  -4.194
   27    HD1  PHE   4           1HD      PHE   4   0.043  -6.254  -3.750
   28    HD2  PHE   4           2HD      PHE   4  -2.654  -7.718  -0.742
   29    HE1  PHE   4           1HE      PHE   4   1.966  -7.065  -2.421
   30    HE2  PHE   4           2HE      PHE   4  -0.725  -8.531   0.589
   31    HZ   PHE   4           HZ       PHE   4   1.589  -8.199  -0.252
   32    H    CYS   5           H        CYS   5  -0.951  -3.574  -2.155
   33    HA   CYS   5           HA       CYS   5  -0.760  -2.461  -4.906
   34   1HB   CYS   5          2HB       CYS   5  -0.841  -0.127  -3.895
   35   2HB   CYS   5          1HB       CYS   5  -2.368  -1.002  -3.824
   36    H    CYS   6           H        CYS   6   1.308  -1.507  -5.331
   37    HA   CYS   6           HA       CYS   6   3.448  -2.209  -3.379
   38   1HB   CYS   6          2HB       CYS   6   3.097  -2.130  -6.277
   39   2HB   CYS   6          1HB       CYS   6   4.566  -1.291  -5.784
   40    H    ASN   7           H        ASN   7   1.643   0.196  -3.130
   41    HA   ASN   7           HA       ASN   7   3.556   2.156  -2.319
   42   1HB   ASN   7          2HB       ASN   7   3.641   2.159  -4.927
   43   2HB   ASN   7          1HB       ASN   7   2.054   2.922  -4.834
   44   1HD2  ASN   7          1HD2      ASN   7   5.145   3.801  -5.303
   45   2HD2  ASN   7          2HD2      ASN   7   5.180   5.290  -4.487
   46    H    CYS   8           H        CYS   8   2.443   3.450  -0.884
   47    HA   CYS   8           HA       CYS   8  -0.337   4.285  -1.288
   48   1HB   CYS   8          2HB       CYS   8  -1.400   2.852   0.232
   49   2HB   CYS   8          1HB       CYS   8  -0.233   1.762  -0.512
   50    H    CYS   9           H        CYS   9   2.236   3.725   1.084
   51    HA   CYS   9           HA       CYS   9   1.683   6.397   2.270
   52   1HB   CYS   9          2HB       CYS   9   2.037   3.936   3.964
   53   2HB   CYS   9          1HB       CYS   9   1.129   5.403   4.319
   54    HA   PRO  10           HA       PRO  10   6.098   6.479   2.456
   55   1HB   PRO  10          2HB       PRO  10   6.460   8.263   4.508
   56   2HB   PRO  10          1HB       PRO  10   5.937   8.744   2.882
   57   1HG   PRO  10          2HG       PRO  10   4.323   8.373   5.359
   58   2HG   PRO  10          1HG       PRO  10   4.177   9.595   4.084
   59   1HD   PRO  10          2HD       PRO  10   2.543   7.425   4.269
   60   2HD   PRO  10          1HD       PRO  10   2.929   8.239   2.736
   61    H    ASN  11           H        ASN  11   5.259   4.130   3.653
   62    HA   ASN  11           HA       ASN  11   7.225   3.788   5.813
   63   1HB   ASN  11          2HB       ASN  11   5.052   4.742   6.821
   64   2HB   ASN  11          1HB       ASN  11   4.312   3.191   6.416
   65   1HD2  ASN  11          1HD2      ASN  11   4.086   2.744   8.767
   66   2HD2  ASN  11          2HD2      ASN  11   5.439   2.272   9.676
   67    H    MET  12           H        MET  12   6.729   2.668   3.124
   68    HA   MET  12           HA       MET  12   7.122  -0.130   3.701
   69   1HB   MET  12          2HB       MET  12   4.494   0.645   3.914
   70   2HB   MET  12          1HB       MET  12   4.570   0.174   2.218
   71   1HG   MET  12          2HG       MET  12   5.979  -1.800   3.736
   72   2HG   MET  12          1HG       MET  12   4.421  -1.528   4.514
   73   1HE   MET  12          1HE       MET  12   2.133  -2.712   3.530
   74   2HE   MET  12          2HE       MET  12   1.807  -2.135   1.896
   75   3HE   MET  12          3HE       MET  12   2.383  -1.009   3.122
   76    H    SER  13           H        SER  13   8.880   0.620   2.208
   77    HA   SER  13           HA       SER  13   8.185   1.325  -0.554
   78   1HB   SER  13          2HB       SER  13  10.810   0.496   0.744
   79   2HB   SER  13          1HB       SER  13  10.646   1.288  -0.821
   80    HG   SER  13           HG       SER  13   9.684   3.071   0.300
   81    H    GLY  14           H        GLY  14   6.772  -0.747  -0.624
   82   1HA   GLY  14          2HA       GLY  14   8.131  -2.764  -2.194
   83   2HA   GLY  14          1HA       GLY  14   7.741  -3.361  -0.580
   84    H    CYS  15           H        CYS  15   5.903  -4.584  -0.715
   85    HA   CYS  15           HA       CYS  15   3.531  -3.401  -2.111
   86   1HB   CYS  15          2HB       CYS  15   5.153  -5.545  -3.026
   87   2HB   CYS  15          1HB       CYS  15   3.645  -6.263  -2.463
   88    H    GLY  16           H        GLY  16   1.561  -3.912  -1.123
   89   1HA   GLY  16          2HA       GLY  16   1.243  -6.028   0.820
   90   2HA   GLY  16          1HA       GLY  16   1.453  -4.474   1.624
   91    H    VAL  17           H        VAL  17  -0.921  -5.505   2.136
   92    HA   VAL  17           HA       VAL  17  -2.911  -4.760   0.094
   93    HB   VAL  17           HB       VAL  17  -3.035  -6.797   1.570
   94   1HG1  VAL  17          1HG1      VAL  17  -4.085  -5.209   3.832
   95   2HG1  VAL  17          2HG1      VAL  17  -2.341  -5.103   3.599
   96   3HG1  VAL  17          3HG1      VAL  17  -3.103  -6.675   3.845
   97   1HG2  VAL  17          1HG2      VAL  17  -5.174  -6.557   0.882
   98   2HG2  VAL  17          2HG2      VAL  17  -5.144  -4.809   1.117
   99   3HG2  VAL  17          3HG2      VAL  17  -5.490  -5.879   2.477
  100    H    CYS  18           H        CYS  18  -4.077  -2.860   0.092
  101    HA   CYS  18           HA       CYS  18  -3.799  -1.062   2.483
  102   1HB   CYS  18          2HB       CYS  18  -3.874   0.765   0.581
  103   2HB   CYS  18          1HB       CYS  18  -2.365  -0.076   0.912
  104    H    CYS  19           H        CYS  19  -5.682   0.193   2.964
  105    HA   CYS  19           HA       CYS  19  -8.154  -0.608   1.455
  106   1HB   CYS  19          2HB       CYS  19  -7.813   0.191   4.364
  107   2HB   CYS  19          1HB       CYS  19  -9.281  -0.434   3.612
  108    H    ARG  20           H        ARG  20  -6.159   1.936   1.500
  109    HA   ARG  20           HA       ARG  20  -8.262   4.019   1.904
  110   1HB   ARG  20          2HB       ARG  20  -5.307   4.381   1.311
  111   2HB   ARG  20          1HB       ARG  20  -6.396   5.535   2.077
  112   1HG   ARG  20          2HG       ARG  20  -6.684   3.760   3.923
  113   2HG   ARG  20          1HG       ARG  20  -5.259   2.981   3.239
  114   1HD   ARG  20          2HD       ARG  20  -3.876   4.509   4.176
  115   2HD   ARG  20          1HD       ARG  20  -4.870   5.870   3.617
  116    HE   ARG  20           HE       ARG  20  -6.450   4.897   5.601
  117   1HH1  ARG  20          1HH2      ARG  20  -3.022   5.536   5.491
  118   2HH1  ARG  20          2HH2      ARG  20  -2.880   5.759   7.202
  119   1HH2  ARG  20          1HH1      ARG  20  -6.260   5.209   7.824
  120   2HH2  ARG  20          2HH1      ARG  20  -4.717   5.575   8.523
  121    H    PHE  21           H        PHE  21  -9.402   4.378   0.035
  122    HA   PHE  21           HA       PHE  21  -7.929   4.913  -2.479
  123   1HB   PHE  21          2HB       PHE  21  -9.923   2.686  -1.995
  124   2HB   PHE  21          1HB       PHE  21  -9.666   3.345  -3.609
  125    HD1  PHE  21           1HD      PHE  21  -8.566   0.960  -1.250
  126    HD2  PHE  21           2HD      PHE  21  -7.138   3.539  -4.371
  127    HE1  PHE  21           1HE      PHE  21  -6.554  -0.466  -1.505
  128    HE2  PHE  21           2HE      PHE  21  -5.122   2.113  -4.627
  129    HZ   PHE  21           HZ       PHE  21  -4.833   0.107  -3.194
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1 -13.553  -4.108  -1.677
    2   2H    GLY   1          2HT       GLY   1 -13.488  -2.715  -0.713
    3   3H    GLY   1          3HT       GLY   1 -14.759  -3.825  -0.518
    4   1HA   GLY   1          2HA       GLY   1 -13.406  -4.383   1.249
    5   2HA   GLY   1          1HA       GLY   1 -12.883  -5.509  -0.005
    6    H    CYS   2           H        CYS   2 -10.670  -5.674   0.476
    7    HA   CYS   2           HA       CYS   2  -9.106  -3.103   0.460
    8   1HB   CYS   2          2HB       CYS   2  -9.333  -5.133   2.393
    9   2HB   CYS   2          1HB       CYS   2  -7.771  -5.409   1.622
   10    H    ARG   3           H        ARG   3  -7.475  -2.981  -1.045
   11    HA   ARG   3           HA       ARG   3  -6.894  -5.430  -2.693
   12   1HB   ARG   3          2HB       ARG   3  -7.009  -2.471  -3.392
   13   2HB   ARG   3          1HB       ARG   3  -6.421  -3.709  -4.504
   14   1HG   ARG   3          2HG       ARG   3  -8.811  -4.794  -3.728
   15   2HG   ARG   3          1HG       ARG   3  -9.178  -3.069  -3.666
   16   1HD   ARG   3          2HD       ARG   3  -9.548  -3.261  -5.919
   17   2HD   ARG   3          1HD       ARG   3  -7.777  -3.286  -6.055
   18    HE   ARG   3           HE       ARG   3  -8.771  -5.915  -5.373
   19   1HH1  ARG   3          1HH2      ARG   3  -8.433  -3.638  -7.993
   20   2HH1  ARG   3          2HH2      ARG   3  -8.416  -4.874  -9.212
   21   1HH2  ARG   3          1HH1      ARG   3  -8.724  -7.493  -6.981
   22   2HH2  ARG   3          2HH1      ARG   3  -8.585  -7.033  -8.646
   23    H    PHE   4           H        PHE   4  -4.622  -5.613  -3.409
   24    HA   PHE   4           HA       PHE   4  -2.740  -4.598  -1.378
   25   1HB   PHE   4          2HB       PHE   4  -2.976  -6.899  -2.838
   26   2HB   PHE   4          1HB       PHE   4  -1.766  -6.039  -3.787
   27    HD1  PHE   4           1HD      PHE   4  -2.496  -6.302  -0.107
   28    HD2  PHE   4           2HD      PHE   4   0.378  -6.766  -3.267
   29    HE1  PHE   4           1HE      PHE   4  -0.756  -6.891   1.563
   30    HE2  PHE   4           2HE      PHE   4   2.109  -7.352  -1.603
   31    HZ   PHE   4           HZ       PHE   4   1.551  -7.404   0.811
   32    H    CYS   5           H        CYS   5  -1.332  -2.884  -1.656
   33    HA   CYS   5           HA       CYS   5  -1.003  -1.744  -4.421
   34   1HB   CYS   5          2HB       CYS   5  -1.339   0.491  -3.400
   35   2HB   CYS   5          1HB       CYS   5  -2.742  -0.546  -3.133
   36    H    CYS   6           H        CYS   6   1.050  -0.655  -4.737
   37    HA   CYS   6           HA       CYS   6   3.137  -1.352  -2.706
   38   1HB   CYS   6          2HB       CYS   6   3.040  -0.968  -5.677
   39   2HB   CYS   6          1HB       CYS   6   4.558  -0.648  -4.842
   40    H    ASN   7           H        ASN   7   1.338   1.039  -2.483
   41    HA   ASN   7           HA       ASN   7   3.434   3.040  -1.998
   42   1HB   ASN   7          2HB       ASN   7   2.368   2.908  -4.542
   43   2HB   ASN   7          1HB       ASN   7   1.357   4.137  -3.782
   44   1HD2  ASN   7          1HD2      ASN   7   4.887   3.321  -3.593
   45   2HD2  ASN   7          2HD2      ASN   7   5.405   4.917  -3.856
   46    H    CYS   8           H        CYS   8   1.944   2.085  -0.020
   47    HA   CYS   8           HA       CYS   8  -0.552   3.648   0.339
   48   1HB   CYS   8          2HB       CYS   8  -0.913   2.206   2.169
   49   2HB   CYS   8          1HB       CYS   8   0.015   1.179   1.077
   50    H    CYS   9           H        CYS   9   2.707   3.402   1.673
   51    HA   CYS   9           HA       CYS   9   2.401   6.062   2.957
   52   1HB   CYS   9          2HB       CYS   9   3.496   3.708   4.480
   53   2HB   CYS   9          1HB       CYS   9   2.635   5.118   5.093
   54    HA   PRO  10           HA       PRO  10   6.580   6.271   1.455
   55   1HB   PRO  10          2HB       PRO  10   7.435   8.439   2.896
   56   2HB   PRO  10          1HB       PRO  10   6.358   8.568   1.493
   57   1HG   PRO  10          2HG       PRO  10   5.707   8.663   4.396
   58   2HG   PRO  10          1HG       PRO  10   5.022   9.594   3.054
   59   1HD   PRO  10          2HD       PRO  10   3.776   7.453   4.200
   60   2HD   PRO  10          1HD       PRO  10   3.518   7.958   2.515
   61    H    ASN  11           H        ASN  11   6.483   4.178   3.152
   62    HA   ASN  11           HA       ASN  11   9.011   4.380   4.661
   63   1HB   ASN  11          2HB       ASN  11   6.961   5.242   6.052
   64   2HB   ASN  11          1HB       ASN  11   6.550   3.532   6.185
   65   1HD2  ASN  11          1HD2      ASN  11   9.295   5.801   6.774
   66   2HD2  ASN  11          2HD2      ASN  11   9.952   4.894   8.049
   67    H    MET  12           H        MET  12   7.874   2.744   2.414
   68    HA   MET  12           HA       MET  12   8.510   0.063   3.529
   69   1HB   MET  12          2HB       MET  12   5.968   0.734   3.526
   70   2HB   MET  12          1HB       MET  12   6.077   0.448   1.790
   71   1HG   MET  12          2HG       MET  12   7.382  -1.741   2.975
   72   2HG   MET  12          1HG       MET  12   5.941  -1.478   3.957
   73   1HE   MET  12          1HE       MET  12   3.996  -2.043   3.654
   74   2HE   MET  12          2HE       MET  12   3.214  -2.865   2.309
   75   3HE   MET  12          3HE       MET  12   3.269  -1.104   2.343
   76    H    SER  13           H        SER  13   9.221  -1.407   1.883
   77    HA   SER  13           HA       SER  13   9.742  -0.139  -0.796
   78   1HB   SER  13          2HB       SER  13  11.663  -2.135  -0.370
   79   2HB   SER  13          1HB       SER  13  11.911  -0.401  -0.172
   80    HG   SER  13           HG       SER  13  11.556  -2.412   1.719
   81    H    GLY  14           H        GLY  14   7.351  -1.568  -0.408
   82   1HA   GLY  14          2HA       GLY  14   7.658  -3.698  -2.371
   83   2HA   GLY  14          1HA       GLY  14   7.295  -4.322  -0.762
   84    H    CYS  15           H        CYS  15   5.160  -4.853  -0.771
   85    HA   CYS  15           HA       CYS  15   3.201  -2.767  -1.670
   86   1HB   CYS  15          2HB       CYS  15   3.786  -5.336  -2.806
   87   2HB   CYS  15          1HB       CYS  15   2.167  -5.386  -2.115
   88    H    GLY  16           H        GLY  16   1.249  -2.734  -0.465
   89   1HA   GLY  16          2HA       GLY  16   1.055  -4.620   1.834
   90   2HA   GLY  16          1HA       GLY  16   0.990  -2.883   2.140
   91    H    VAL  17           H        VAL  17  -1.207  -4.046   2.978
   92    HA   VAL  17           HA       VAL  17  -3.216  -4.396   0.877
   93    HB   VAL  17           HB       VAL  17  -3.060  -5.606   3.115
   94   1HG1  VAL  17          1HG1      VAL  17  -4.462  -3.230   4.307
   95   2HG1  VAL  17          2HG1      VAL  17  -2.700  -3.281   4.298
   96   3HG1  VAL  17          3HG1      VAL  17  -3.613  -4.547   5.118
   97   1HG2  VAL  17          1HG2      VAL  17  -5.092  -5.892   1.950
   98   2HG2  VAL  17          2HG2      VAL  17  -5.568  -4.210   2.183
   99   3HG2  VAL  17          3HG2      VAL  17  -5.601  -5.334   3.542
  100    H    CYS  18           H        CYS  18  -4.665  -2.868   0.167
  101    HA   CYS  18           HA       CYS  18  -4.578  -0.150   1.453
  102   1HB   CYS  18          2HB       CYS  18  -4.197  -1.150  -1.292
  103   2HB   CYS  18          1HB       CYS  18  -5.341   0.189  -1.190
  104    H    CYS  19           H        CYS  19  -6.564   0.415   2.273
  105    HA   CYS  19           HA       CYS  19  -9.015  -0.880   1.108
  106   1HB   CYS  19          2HB       CYS  19  -8.005  -0.357   3.816
  107   2HB   CYS  19          1HB       CYS  19  -9.677   0.160   3.603
  108    H    ARG  20           H        ARG  20  -7.341   2.070   1.290
  109    HA   ARG  20           HA       ARG  20  -9.850   3.691   1.061
  110   1HB   ARG  20          2HB       ARG  20  -6.980   4.311   1.812
  111   2HB   ARG  20          1HB       ARG  20  -8.188   5.563   1.528
  112   1HG   ARG  20          2HG       ARG  20  -9.255   3.520   3.283
  113   2HG   ARG  20          1HG       ARG  20  -7.744   4.159   3.931
  114   1HD   ARG  20          2HD       ARG  20 -10.078   5.884   3.017
  115   2HD   ARG  20          1HD       ARG  20  -9.717   5.485   4.702
  116    HE   ARG  20           HE       ARG  20  -7.567   6.666   4.475
  117   1HH1  ARG  20          1HH2      ARG  20  -9.802   7.061   1.815
  118   2HH1  ARG  20          2HH2      ARG  20  -9.056   8.510   1.257
  119   1HH2  ARG  20          1HH1      ARG  20  -6.630   8.562   3.725
  120   2HH2  ARG  20          2HH1      ARG  20  -7.274   9.362   2.332
  121    H    PHE  21           H        PHE  21 -10.298   4.577  -0.925
  122    HA   PHE  21           HA       PHE  21  -8.086   4.948  -2.896
  123   1HB   PHE  21          2HB       PHE  21 -10.652   3.360  -3.224
  124   2HB   PHE  21          1HB       PHE  21  -9.680   3.888  -4.595
  125    HD1  PHE  21           1HD      PHE  21  -7.457   2.953  -5.008
  126    HD2  PHE  21           2HD      PHE  21  -9.822   1.668  -1.660
  127    HE1  PHE  21           1HE      PHE  21  -5.941   1.012  -4.685
  128    HE2  PHE  21           2HE      PHE  21  -8.310  -0.260  -1.331
  129    HZ   PHE  21           HZ       PHE  21  -6.363  -0.595  -2.847
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1 -13.781  -2.789   1.508
    2   2H    GLY   1          2HT       GLY   1 -14.944  -3.984   1.182
    3   3H    GLY   1          3HT       GLY   1 -14.211  -3.130  -0.090
    4   1HA   GLY   1          2HA       GLY   1 -13.061  -5.229   1.633
    5   2HA   GLY   1          1HA       GLY   1 -13.101  -5.143  -0.129
    6    H    CYS   2           H        CYS   2 -10.688  -5.546   0.207
    7    HA   CYS   2           HA       CYS   2  -9.264  -2.918   0.337
    8   1HB   CYS   2          2HB       CYS   2  -8.726  -5.459   1.902
    9   2HB   CYS   2          1HB       CYS   2  -7.505  -4.203   1.701
   10    H    ARG   3           H        ARG   3  -7.130  -3.031  -0.770
   11    HA   ARG   3           HA       ARG   3  -6.793  -5.415  -2.568
   12   1HB   ARG   3          2HB       ARG   3  -6.872  -2.452  -3.227
   13   2HB   ARG   3          1HB       ARG   3  -6.186  -3.642  -4.334
   14   1HG   ARG   3          2HG       ARG   3  -8.422  -4.904  -4.087
   15   2HG   ARG   3          1HG       ARG   3  -9.041  -3.416  -3.369
   16   1HD   ARG   3          2HD       ARG   3  -9.547  -2.971  -5.596
   17   2HD   ARG   3          1HD       ARG   3  -7.880  -2.360  -5.566
   18    HE   ARG   3           HE       ARG   3  -8.038  -5.236  -6.094
   19   1HH1  ARG   3          1HH2      ARG   3  -8.061  -2.038  -7.452
   20   2HH1  ARG   3          2HH2      ARG   3  -7.628  -2.563  -9.040
   21   1HH2  ARG   3          1HH1      ARG   3  -7.331  -5.901  -8.160
   22   2HH2  ARG   3          2HH1      ARG   3  -7.199  -4.743  -9.439
   23    H    PHE   4           H        PHE   4  -4.558  -5.745  -3.250
   24    HA   PHE   4           HA       PHE   4  -2.566  -4.721  -1.323
   25   1HB   PHE   4          2HB       PHE   4  -2.970  -7.112  -2.521
   26   2HB   PHE   4          1HB       PHE   4  -1.865  -6.406  -3.698
   27    HD1  PHE   4           1HD      PHE   4   0.311  -7.148  -3.383
   28    HD2  PHE   4           2HD      PHE   4  -2.124  -6.291   0.052
   29    HE1  PHE   4           1HE      PHE   4   2.229  -7.660  -1.896
   30    HE2  PHE   4           2HE      PHE   4  -0.202  -6.802   1.536
   31    HZ   PHE   4           HZ       PHE   4   1.973  -7.485   0.563
   32    H    CYS   5           H        CYS   5  -1.088  -3.070  -1.840
   33    HA   CYS   5           HA       CYS   5  -0.695  -2.361  -4.707
   34   1HB   CYS   5          2HB       CYS   5  -1.616  -0.210  -4.491
   35   2HB   CYS   5          1HB       CYS   5  -2.708  -1.179  -3.505
   36    H    CYS   6           H        CYS   6   1.230  -1.134  -5.086
   37    HA   CYS   6           HA       CYS   6   3.229  -1.266  -2.874
   38   1HB   CYS   6          2HB       CYS   6   3.245  -1.100  -5.880
   39   2HB   CYS   6          1HB       CYS   6   4.676  -0.587  -4.990
   40    H    ASN   7           H        ASN   7   1.307   0.757  -2.516
   41    HA   ASN   7           HA       ASN   7   2.913   3.157  -2.330
   42   1HB   ASN   7          2HB       ASN   7   2.257   2.823  -4.851
   43   2HB   ASN   7          1HB       ASN   7   0.655   3.342  -4.331
   44   1HD2  ASN   7          1HD2      ASN   7   4.051   4.434  -3.675
   45   2HD2  ASN   7          2HD2      ASN   7   3.706   6.080  -3.909
   46    H    CYS   8           H        CYS   8   1.672   2.180  -0.261
   47    HA   CYS   8           HA       CYS   8  -1.089   3.334  -0.042
   48   1HB   CYS   8          2HB       CYS   8  -1.400   1.760   1.688
   49   2HB   CYS   8          1HB       CYS   8  -0.331   0.890   0.588
   50    H    CYS   9           H        CYS   9   2.109   3.335   1.432
   51    HA   CYS   9           HA       CYS   9   1.484   5.864   2.853
   52   1HB   CYS   9          2HB       CYS   9   2.727   3.543   4.306
   53   2HB   CYS   9          1HB       CYS   9   1.696   4.822   4.940
   54    HA   PRO  10           HA       PRO  10   5.711   6.577   1.682
   55   1HB   PRO  10          2HB       PRO  10   6.364   8.545   3.473
   56   2HB   PRO  10          1HB       PRO  10   5.332   8.820   2.057
   57   1HG   PRO  10          2HG       PRO  10   4.565   8.413   4.905
   58   2HG   PRO  10          1HG       PRO  10   3.881   9.513   3.698
   59   1HD   PRO  10          2HD       PRO  10   2.708   7.162   4.411
   60   2HD   PRO  10          1HD       PRO  10   2.518   7.902   2.805
   61    H    ASN  11           H        ASN  11   5.521   4.260   3.225
   62    HA   ASN  11           HA       ASN  11   8.091   4.263   4.643
   63   1HB   ASN  11          2HB       ASN  11   6.109   5.097   6.178
   64   2HB   ASN  11          1HB       ASN  11   5.687   3.387   6.235
   65   1HD2  ASN  11          1HD2      ASN  11   7.741   1.914   6.749
   66   2HD2  ASN  11          2HD2      ASN  11   8.771   2.507   7.961
   67    H    MET  12           H        MET  12   7.327   2.859   2.344
   68    HA   MET  12           HA       MET  12   7.283   0.048   3.351
   69   1HB   MET  12          2HB       MET  12   5.118   1.447   2.160
   70   2HB   MET  12          1HB       MET  12   5.719   0.335   0.931
   71   1HG   MET  12          2HG       MET  12   5.445  -0.743   3.695
   72   2HG   MET  12          1HG       MET  12   3.951  -0.424   2.812
   73   1HE   MET  12          1HE       MET  12   4.455  -3.855   3.225
   74   2HE   MET  12          2HE       MET  12   5.521  -2.728   4.062
   75   3HE   MET  12          3HE       MET  12   6.205  -3.952   2.995
   76    H    SER  13           H        SER  13   8.482  -1.369   2.062
   77    HA   SER  13           HA       SER  13   9.955  -0.159  -0.257
   78   1HB   SER  13          2HB       SER  13  11.359  -2.397   0.609
   79   2HB   SER  13          1HB       SER  13  11.712  -0.735   1.072
   80    HG   SER  13           HG       SER  13  11.434  -1.880   2.951
   81    H    GLY  14           H        GLY  14   7.303  -1.459  -0.461
   82   1HA   GLY  14          2HA       GLY  14   7.745  -3.154  -2.696
   83   2HA   GLY  14          1HA       GLY  14   7.464  -4.174  -1.283
   84    H    CYS  15           H        CYS  15   5.378  -4.826  -1.283
   85    HA   CYS  15           HA       CYS  15   3.267  -2.806  -1.976
   86   1HB   CYS  15          2HB       CYS  15   3.862  -5.502  -2.933
   87   2HB   CYS  15          1HB       CYS  15   2.203  -5.355  -2.357
   88    H    GLY  16           H        GLY  16   1.414  -2.777  -0.636
   89   1HA   GLY  16          2HA       GLY  16   1.396  -4.645   1.687
   90   2HA   GLY  16          1HA       GLY  16   1.321  -2.906   1.983
   91    H    VAL  17           H        VAL  17  -0.794  -4.009   2.993
   92    HA   VAL  17           HA       VAL  17  -2.970  -4.475   1.077
   93    HB   VAL  17           HB       VAL  17  -2.956  -4.056   4.091
   94   1HG1  VAL  17          1HG1      VAL  17  -5.023  -4.993   2.114
   95   2HG1  VAL  17          2HG1      VAL  17  -5.200  -3.847   3.443
   96   3HG1  VAL  17          3HG1      VAL  17  -5.064  -5.574   3.779
   97   1HG2  VAL  17          1HG2      VAL  17  -2.854  -6.475   4.270
   98   2HG2  VAL  17          2HG2      VAL  17  -1.519  -5.954   3.243
   99   3HG2  VAL  17          3HG2      VAL  17  -2.966  -6.654   2.519
  100    H    CYS  18           H        CYS  18  -4.198  -2.859   0.188
  101    HA   CYS  18           HA       CYS  18  -4.279  -0.204   1.596
  102   1HB   CYS  18          2HB       CYS  18  -4.367  -0.596  -1.407
  103   2HB   CYS  18          1HB       CYS  18  -3.904   0.847  -0.502
  104    H    CYS  19           H        CYS  19  -6.374   0.246   2.162
  105    HA   CYS  19           HA       CYS  19  -8.592  -1.052   0.636
  106   1HB   CYS  19          2HB       CYS  19  -8.617   0.370   3.329
  107   2HB   CYS  19          1HB       CYS  19  -9.892  -0.657   2.669
  108    H    ARG  20           H        ARG  20  -7.603   2.094   2.005
  109    HA   ARG  20           HA       ARG  20  -9.530   3.441   0.153
  110   1HB   ARG  20          2HB       ARG  20  -9.253   5.372   1.724
  111   2HB   ARG  20          1HB       ARG  20  -9.769   3.922   2.579
  112   1HG   ARG  20          2HG       ARG  20  -6.865   4.056   2.427
  113   2HG   ARG  20          1HG       ARG  20  -7.521   5.508   3.178
  114   1HD   ARG  20          2HD       ARG  20  -8.390   2.715   4.014
  115   2HD   ARG  20          1HD       ARG  20  -7.042   3.567   4.784
  116    HE   ARG  20           HE       ARG  20  -9.890   4.273   5.041
  117   1HH1  ARG  20          1HH2      ARG  20  -6.619   5.455   5.132
  118   2HH1  ARG  20          2HH2      ARG  20  -6.970   6.699   6.268
  119   1HH2  ARG  20          1HH1      ARG  20 -10.327   5.881   6.555
  120   2HH2  ARG  20          2HH1      ARG  20  -9.079   6.942   7.069
  121    H    PHE  21           H        PHE  21  -8.691   5.201  -1.180
  122    HA   PHE  21           HA       PHE  21  -5.698   5.271  -1.410
  123   1HB   PHE  21          2HB       PHE  21  -7.854   5.040  -3.536
  124   2HB   PHE  21          1HB       PHE  21  -6.163   5.374  -3.893
  125    HD1  PHE  21           1HD      PHE  21  -4.536   3.641  -3.956
  126    HD2  PHE  21           2HD      PHE  21  -8.429   2.887  -2.296
  127    HE1  PHE  21           1HE      PHE  21  -4.025   1.214  -3.856
  128    HE2  PHE  21           2HE      PHE  21  -7.912   0.470  -2.184
  129    HZ   PHE  21           HZ       PHE  21  -5.711  -0.374  -2.960
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1 -14.492  -4.728   0.094
    2   2H    GLY   1          2HT       GLY   1 -13.205  -5.809  -0.131
    3   3H    GLY   1          3HT       GLY   1 -13.082  -4.209  -0.685
    4   1HA   GLY   1          2HA       GLY   1 -13.580  -3.764   1.889
    5   2HA   GLY   1          1HA       GLY   1 -12.706  -5.295   1.978
    6    H    CYS   2           H        CYS   2 -10.503  -5.350   1.265
    7    HA   CYS   2           HA       CYS   2  -9.270  -2.640   0.852
    8   1HB   CYS   2          2HB       CYS   2  -8.968  -4.448   2.959
    9   2HB   CYS   2          1HB       CYS   2  -7.566  -4.784   1.935
   10    H    ARG   3           H        ARG   3  -7.314  -2.658  -0.533
   11    HA   ARG   3           HA       ARG   3  -7.145  -5.043  -2.351
   12   1HB   ARG   3          2HB       ARG   3  -8.083  -2.463  -2.907
   13   2HB   ARG   3          1HB       ARG   3  -6.449  -2.489  -3.573
   14   1HG   ARG   3          2HG       ARG   3  -7.423  -4.955  -4.330
   15   2HG   ARG   3          1HG       ARG   3  -8.857  -3.937  -4.452
   16   1HD   ARG   3          2HD       ARG   3  -6.210  -3.076  -5.661
   17   2HD   ARG   3          1HD       ARG   3  -7.375  -4.073  -6.555
   18    HE   ARG   3           HE       ARG   3  -8.500  -1.664  -5.277
   19   1HH1  ARG   3          1HH2      ARG   3  -7.147  -3.118  -8.139
   20   2HH1  ARG   3          2HH2      ARG   3  -7.887  -1.981  -9.212
   21   1HH2  ARG   3          1HH1      ARG   3  -9.445  -0.172  -6.690
   22   2HH2  ARG   3          2HH1      ARG   3  -9.181  -0.317  -8.393
   23    H    PHE   4           H        PHE   4  -5.014  -5.384  -3.271
   24    HA   PHE   4           HA       PHE   4  -2.849  -4.587  -1.440
   25   1HB   PHE   4          2HB       PHE   4  -3.427  -6.854  -2.796
   26   2HB   PHE   4          1HB       PHE   4  -2.385  -6.087  -3.993
   27    HD1  PHE   4           1HD      PHE   4  -2.497  -6.824  -0.309
   28    HD2  PHE   4           2HD      PHE   4  -0.075  -6.386  -3.834
   29    HE1  PHE   4           1HE      PHE   4  -0.501  -7.546   0.972
   30    HE2  PHE   4           2HE      PHE   4   1.920  -7.106  -2.549
   31    HZ   PHE   4           HZ       PHE   4   1.708  -7.686  -0.146
   32    H    CYS   5           H        CYS   5  -1.197  -3.099  -1.942
   33    HA   CYS   5           HA       CYS   5  -0.916  -2.111  -4.725
   34   1HB   CYS   5          2HB       CYS   5  -1.728   0.032  -4.317
   35   2HB   CYS   5          1HB       CYS   5  -2.784  -0.915  -3.273
   36    H    CYS   6           H        CYS   6   1.026  -0.758  -4.965
   37    HA   CYS   6           HA       CYS   6   3.044  -1.279  -2.808
   38   1HB   CYS   6          2HB       CYS   6   3.530  -0.643  -5.732
   39   2HB   CYS   6          1HB       CYS   6   4.659  -1.358  -4.583
   40    H    ASN   7           H        ASN   7   1.298   0.944  -2.556
   41    HA   ASN   7           HA       ASN   7   3.204   3.114  -2.267
   42   1HB   ASN   7          2HB       ASN   7   2.004   2.768  -4.799
   43   2HB   ASN   7          1HB       ASN   7   1.131   4.106  -4.056
   44   1HD2  ASN   7          1HD2      ASN   7   4.507   2.977  -4.641
   45   2HD2  ASN   7          2HD2      ASN   7   5.151   4.542  -4.792
   46    H    CYS   8           H        CYS   8   1.877   2.249  -0.212
   47    HA   CYS   8           HA       CYS   8  -0.743   3.687   0.019
   48   1HB   CYS   8          2HB       CYS   8  -1.271   2.090   1.649
   49   2HB   CYS   8          1HB       CYS   8  -0.219   1.156   0.591
   50    H    CYS   9           H        CYS   9   2.389   3.267   1.607
   51    HA   CYS   9           HA       CYS   9   2.019   5.843   3.043
   52   1HB   CYS   9          2HB       CYS   9   2.878   3.362   4.505
   53   2HB   CYS   9          1HB       CYS   9   1.991   4.753   5.116
   54    HA   PRO  10           HA       PRO  10   6.380   5.971   2.175
   55   1HB   PRO  10          2HB       PRO  10   7.121   7.949   3.921
   56   2HB   PRO  10          1HB       PRO  10   6.237   8.271   2.417
   57   1HG   PRO  10          2HG       PRO  10   5.246   8.164   5.211
   58   2HG   PRO  10          1HG       PRO  10   4.734   9.198   3.870
   59   1HD   PRO  10          2HD       PRO  10   3.365   6.974   4.749
   60   2HD   PRO  10          1HD       PRO  10   3.213   7.678   3.125
   61    H    ASN  11           H        ASN  11   5.935   3.728   3.665
   62    HA   ASN  11           HA       ASN  11   8.122   3.815   5.694
   63   1HB   ASN  11          2HB       ASN  11   5.702   4.203   6.598
   64   2HB   ASN  11          1HB       ASN  11   5.486   2.480   6.297
   65   1HD2  ASN  11          1HD2      ASN  11   8.185   4.464   7.677
   66   2HD2  ASN  11          2HD2      ASN  11   8.377   3.487   9.049
   67    H    MET  12           H        MET  12   7.342   2.446   2.924
   68    HA   MET  12           HA       MET  12   8.703  -0.071   3.522
   69   1HB   MET  12          2HB       MET  12   6.748  -1.481   2.810
   70   2HB   MET  12          1HB       MET  12   6.461  -0.608   4.314
   71   1HG   MET  12          2HG       MET  12   5.283   1.169   3.008
   72   2HG   MET  12          1HG       MET  12   5.482   0.191   1.554
   73   1HE   MET  12          1HE       MET  12   5.100  -2.749   2.426
   74   2HE   MET  12          2HE       MET  12   4.414  -1.921   1.027
   75   3HE   MET  12          3HE       MET  12   3.375  -2.892   2.071
   76    H    SER  13           H        SER  13   9.799  -0.687   1.687
   77    HA   SER  13           HA       SER  13   9.149   0.718  -0.861
   78   1HB   SER  13          2HB       SER  13  11.541  -0.870   0.132
   79   2HB   SER  13          1HB       SER  13  11.450  -0.118  -1.461
   80    HG   SER  13           HG       SER  13  11.719   1.800  -0.574
   81    H    GLY  14           H        GLY  14   7.224  -1.169  -0.459
   82   1HA   GLY  14          2HA       GLY  14   7.791  -3.112  -2.584
   83   2HA   GLY  14          1HA       GLY  14   7.501  -3.829  -0.998
   84    H    CYS  15           H        CYS  15   5.460  -4.660  -1.126
   85    HA   CYS  15           HA       CYS  15   3.252  -2.798  -1.921
   86   1HB   CYS  15          2HB       CYS  15   3.540  -5.745  -2.604
   87   2HB   CYS  15          1HB       CYS  15   2.224  -4.692  -3.117
   88    H    GLY  16           H        GLY  16   1.246  -3.192  -0.797
   89   1HA   GLY  16          2HA       GLY  16   1.129  -5.330   1.216
   90   2HA   GLY  16          1HA       GLY  16   1.253  -3.705   1.889
   91    H    VAL  17           H        VAL  17  -0.955  -4.516   2.752
   92    HA   VAL  17           HA       VAL  17  -3.199  -4.520   0.862
   93    HB   VAL  17           HB       VAL  17  -3.161  -4.322   3.901
   94   1HG1  VAL  17          1HG1      VAL  17  -5.228  -5.098   1.851
   95   2HG1  VAL  17          2HG1      VAL  17  -5.362  -3.903   3.143
   96   3HG1  VAL  17          3HG1      VAL  17  -5.350  -5.625   3.528
   97   1HG2  VAL  17          1HG2      VAL  17  -3.630  -6.912   3.509
   98   2HG2  VAL  17          2HG2      VAL  17  -1.976  -6.305   3.577
   99   3HG2  VAL  17          3HG2      VAL  17  -2.734  -6.618   2.017
  100    H    CYS  18           H        CYS  18  -4.346  -2.718   0.238
  101    HA   CYS  18           HA       CYS  18  -3.946  -0.183   1.808
  102   1HB   CYS  18          2HB       CYS  18  -4.214  -0.473  -1.199
  103   2HB   CYS  18          1HB       CYS  18  -3.732   0.970  -0.305
  104    H    CYS  19           H        CYS  19  -5.844   0.799   2.380
  105    HA   CYS  19           HA       CYS  19  -8.369  -0.133   1.046
  106   1HB   CYS  19          2HB       CYS  19  -7.532   0.450   3.849
  107   2HB   CYS  19          1HB       CYS  19  -9.127   1.054   3.410
  108    H    ARG  20           H        ARG  20  -6.530   2.121   0.193
  109    HA   ARG  20           HA       ARG  20  -8.374   4.459   0.584
  110   1HB   ARG  20          2HB       ARG  20  -6.153   4.920   1.348
  111   2HB   ARG  20          1HB       ARG  20  -5.424   4.190  -0.086
  112   1HG   ARG  20          2HG       ARG  20  -6.781   6.005  -1.384
  113   2HG   ARG  20          1HG       ARG  20  -6.865   6.811   0.182
  114   1HD   ARG  20          2HD       ARG  20  -4.243   6.261   0.151
  115   2HD   ARG  20          1HD       ARG  20  -4.518   6.382  -1.595
  116    HE   ARG  20           HE       ARG  20  -4.726   8.581   0.327
  117   1HH1  ARG  20          1HH2      ARG  20  -5.857   7.311  -2.710
  118   2HH1  ARG  20          2HH2      ARG  20  -6.166   8.854  -3.403
  119   1HH2  ARG  20          1HH1      ARG  20  -5.182  10.629  -0.590
  120   2HH2  ARG  20          2HH1      ARG  20  -5.848  10.739  -2.172
  121    H    PHE  21           H        PHE  21  -9.779   4.588  -1.153
  122    HA   PHE  21           HA       PHE  21  -8.631   4.592  -3.883
  123   1HB   PHE  21          2HB       PHE  21 -10.739   2.699  -2.824
  124   2HB   PHE  21          1HB       PHE  21 -10.579   3.024  -4.548
  125    HD1  PHE  21           1HD      PHE  21  -8.429   2.489  -5.712
  126    HD2  PHE  21           2HD      PHE  21  -9.202   1.292  -1.666
  127    HE1  PHE  21           1HE      PHE  21  -6.561   0.862  -5.844
  128    HE2  PHE  21           2HE      PHE  21  -7.342  -0.333  -1.796
  129    HZ   PHE  21           HZ       PHE  21  -6.016  -0.555  -3.877
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1 -14.659  -5.737  -2.460
    2   2H    GLY   1          2HT       GLY   1 -13.102  -6.309  -2.822
    3   3H    GLY   1          3HT       GLY   1 -13.398  -4.639  -2.712
    4   1HA   GLY   1          2HA       GLY   1 -14.171  -5.249  -0.308
    5   2HA   GLY   1          1HA       GLY   1 -13.099  -6.622  -0.577
    6    H    CYS   2           H        CYS   2 -10.841  -6.255  -0.641
    7    HA   CYS   2           HA       CYS   2  -9.957  -3.437  -0.042
    8   1HB   CYS   2          2HB       CYS   2  -9.804  -5.674   1.540
    9   2HB   CYS   2          1HB       CYS   2  -8.255  -5.757   0.704
   10    H    ARG   3           H        ARG   3  -7.904  -2.818  -1.028
   11    HA   ARG   3           HA       ARG   3  -7.188  -4.495  -3.412
   12   1HB   ARG   3          2HB       ARG   3  -7.319  -1.505  -2.939
   13   2HB   ARG   3          1HB       ARG   3  -6.466  -2.198  -4.318
   14   1HG   ARG   3          2HG       ARG   3  -8.888  -3.524  -4.385
   15   2HG   ARG   3          1HG       ARG   3  -9.341  -1.902  -3.853
   16   1HD   ARG   3          2HD       ARG   3  -7.584  -1.264  -5.839
   17   2HD   ARG   3          1HD       ARG   3  -8.256  -2.780  -6.476
   18    HE   ARG   3           HE       ARG   3 -10.362  -1.103  -5.422
   19   1HH1  ARG   3          1HH2      ARG   3  -8.217  -1.475  -8.118
   20   2HH1  ARG   3          2HH2      ARG   3  -9.292  -0.733  -9.255
   21   1HH2  ARG   3          1HH1      ARG   3 -11.738  -0.026  -6.854
   22   2HH2  ARG   3          2HH1      ARG   3 -11.301   0.118  -8.522
   23    H    PHE   4           H        PHE   4  -4.891  -4.582  -3.944
   24    HA   PHE   4           HA       PHE   4  -3.125  -4.152  -1.570
   25   1HB   PHE   4          2HB       PHE   4  -3.542  -6.313  -3.145
   26   2HB   PHE   4          1HB       PHE   4  -2.240  -5.553  -4.058
   27    HD1  PHE   4           1HD      PHE   4  -2.939  -5.800  -0.376
   28    HD2  PHE   4           2HD      PHE   4  -0.240  -6.657  -3.607
   29    HE1  PHE   4           1HE      PHE   4  -1.282  -6.687   1.242
   30    HE2  PHE   4           2HE      PHE   4   1.420  -7.539  -1.989
   31    HZ   PHE   4           HZ       PHE   4   0.899  -7.553   0.436
   32    H    CYS   5           H        CYS   5  -1.572  -2.552  -1.637
   33    HA   CYS   5           HA       CYS   5  -0.936  -1.341  -4.314
   34   1HB   CYS   5          2HB       CYS   5  -0.952   0.279  -1.778
   35   2HB   CYS   5          1HB       CYS   5  -1.271   0.803  -3.429
   36    H    CYS   6           H        CYS   6   1.260  -0.604  -4.531
   37    HA   CYS   6           HA       CYS   6   3.120  -1.427  -2.321
   38   1HB   CYS   6          2HB       CYS   6   3.594  -1.594  -5.311
   39   2HB   CYS   6          1HB       CYS   6   4.604  -2.281  -4.039
   40    H    ASN   7           H        ASN   7   2.083   1.175  -2.533
   41    HA   ASN   7           HA       ASN   7   4.480   2.790  -2.626
   42   1HB   ASN   7          2HB       ASN   7   3.294   2.240  -5.110
   43   2HB   ASN   7          1HB       ASN   7   2.699   3.846  -4.702
   44   1HD2  ASN   7          1HD2      ASN   7   5.049   2.617  -6.516
   45   2HD2  ASN   7          2HD2      ASN   7   6.326   3.682  -6.191
   46    H    CYS   8           H        CYS   8   3.753   3.686  -0.664
   47    HA   CYS   8           HA       CYS   8   1.361   5.484  -0.848
   48   1HB   CYS   8          2HB       CYS   8   0.296   4.501   0.990
   49   2HB   CYS   8          1HB       CYS   8   0.980   3.087   0.196
   50    H    CYS   9           H        CYS   9   4.122   4.404   1.095
   51    HA   CYS   9           HA       CYS   9   4.546   7.196   2.019
   52   1HB   CYS   9          2HB       CYS   9   4.557   4.877   3.933
   53   2HB   CYS   9          1HB       CYS   9   4.142   6.562   4.237
   54    HA   PRO  10           HA       PRO  10   8.732   5.896   1.326
   55   1HB   PRO  10          2HB       PRO  10  10.024   7.881   2.699
   56   2HB   PRO  10          1HB       PRO  10   9.262   8.135   1.118
   57   1HG   PRO  10          2HG       PRO  10   8.268   8.840   3.832
   58   2HG   PRO  10          1HG       PRO  10   8.127   9.731   2.309
   59   1HD   PRO  10          2HD       PRO  10   6.099   8.263   3.397
   60   2HD   PRO  10          1HD       PRO  10   6.268   8.578   1.654
   61    H    ASN  11           H        ASN  11   7.696   4.201   3.162
   62    HA   ASN  11           HA       ASN  11   9.888   3.889   5.126
   63   1HB   ASN  11          2HB       ASN  11   7.408   5.147   5.759
   64   2HB   ASN  11          1HB       ASN  11   7.398   3.566   6.537
   65   1HD2  ASN  11          1HD2      ASN  11   9.955   3.145   7.391
   66   2HD2  ASN  11          2HD2      ASN  11  10.493   4.408   8.388
   67    H    MET  12           H        MET  12   8.596   2.393   2.768
   68    HA   MET  12           HA       MET  12   8.748  -0.283   3.873
   69   1HB   MET  12          2HB       MET  12   6.493   0.685   4.661
   70   2HB   MET  12          1HB       MET  12   5.998   0.618   2.970
   71   1HG   MET  12          2HG       MET  12   6.258  -1.763   2.894
   72   2HG   MET  12          1HG       MET  12   7.100  -1.786   4.445
   73   1HE   MET  12          1HE       MET  12   4.111  -0.629   2.580
   74   2HE   MET  12          2HE       MET  12   2.702  -0.939   3.590
   75   3HE   MET  12          3HE       MET  12   3.534  -2.286   2.818
   76    H    SER  13           H        SER  13  10.059  -0.784   2.061
   77    HA   SER  13           HA       SER  13   9.170  -0.128  -0.672
   78   1HB   SER  13          2HB       SER  13  11.562  -1.217   0.713
   79   2HB   SER  13          1HB       SER  13  11.322  -1.775  -0.940
   80    HG   SER  13           HG       SER  13  12.290   0.087  -1.329
   81    H    GLY  14           H        GLY  14   7.094  -1.531   0.001
   82   1HA   GLY  14          2HA       GLY  14   7.381  -4.088  -1.414
   83   2HA   GLY  14          1HA       GLY  14   6.910  -4.236   0.280
   84    H    CYS  15           H        CYS  15   4.755  -4.740   0.197
   85    HA   CYS  15           HA       CYS  15   2.958  -2.831  -1.259
   86   1HB   CYS  15          2HB       CYS  15   2.852  -5.864  -1.157
   87   2HB   CYS  15          1HB       CYS  15   1.608  -4.845  -1.879
   88    H    GLY  16           H        GLY  16   0.830  -2.633  -0.257
   89   1HA   GLY  16          2HA       GLY  16   0.568  -3.882   2.446
   90   2HA   GLY  16          1HA       GLY  16   0.385  -2.135   2.276
   91    H    VAL  17           H        VAL  17  -1.695  -3.802   3.236
   92    HA   VAL  17           HA       VAL  17  -3.592  -4.259   1.023
   93    HB   VAL  17           HB       VAL  17  -4.017  -4.329   4.035
   94   1HG1  VAL  17          1HG1      VAL  17  -5.600  -6.244   3.148
   95   2HG1  VAL  17          2HG1      VAL  17  -5.491  -5.359   1.627
   96   3HG1  VAL  17          3HG1      VAL  17  -6.126  -4.565   3.069
   97   1HG2  VAL  17          1HG2      VAL  17  -2.160  -5.856   2.626
   98   2HG2  VAL  17          2HG2      VAL  17  -3.580  -6.898   2.698
   99   3HG2  VAL  17          3HG2      VAL  17  -2.866  -6.274   4.185
  100    H    CYS  18           H        CYS  18  -4.937  -2.661   0.280
  101    HA   CYS  18           HA       CYS  18  -5.353  -0.242   2.006
  102   1HB   CYS  18          2HB       CYS  18  -5.711  -0.419  -0.987
  103   2HB   CYS  18          1HB       CYS  18  -5.409   1.012  -0.008
  104    H    CYS  19           H        CYS  19  -7.435  -0.013   2.755
  105    HA   CYS  19           HA       CYS  19  -9.636  -1.371   1.221
  106   1HB   CYS  19          2HB       CYS  19  -8.841  -1.266   4.042
  107   2HB   CYS  19          1HB       CYS  19 -10.551  -0.900   3.801
  108    H    ARG  20           H        ARG  20  -8.380   1.630   1.576
  109    HA   ARG  20           HA       ARG  20 -11.045   2.987   1.778
  110   1HB   ARG  20          2HB       ARG  20  -8.188   3.890   2.293
  111   2HB   ARG  20          1HB       ARG  20  -9.558   5.001   2.266
  112   1HG   ARG  20          2HG       ARG  20  -9.984   2.610   3.944
  113   2HG   ARG  20          1HG       ARG  20  -8.682   3.666   4.498
  114   1HD   ARG  20          2HD       ARG  20 -10.698   5.465   3.825
  115   2HD   ARG  20          1HD       ARG  20 -11.576   4.114   4.559
  116    HE   ARG  20           HE       ARG  20 -10.087   4.292   6.530
  117   1HH1  ARG  20          1HH2      ARG  20 -10.021   6.948   4.267
  118   2HH1  ARG  20          2HH2      ARG  20  -9.419   8.067   5.424
  119   1HH2  ARG  20          1HH1      ARG  20  -9.318   5.782   8.026
  120   2HH2  ARG  20          2HH1      ARG  20  -9.030   7.415   7.552
  121    H    PHE  21           H        PHE  21 -11.813   3.344  -0.290
  122    HA   PHE  21           HA       PHE  21  -9.980   4.617  -2.258
  123   1HB   PHE  21          2HB       PHE  21 -11.582   2.066  -2.545
  124   2HB   PHE  21          1HB       PHE  21 -11.118   3.012  -3.957
  125    HD1  PHE  21           1HD      PHE  21  -8.803   3.149  -4.680
  126    HD2  PHE  21           2HD      PHE  21  -9.878   1.026  -1.108
  127    HE1  PHE  21           1HE      PHE  21  -6.542   2.139  -4.599
  128    HE2  PHE  21           2HE      PHE  21  -7.623   0.019  -1.025
  129    HZ   PHE  21           HZ       PHE  21  -5.947   0.566  -2.775
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1 -14.340  -2.893   1.653
    2   2H    GLY   1          2HT       GLY   1 -14.184  -2.425   0.030
    3   3H    GLY   1          3HT       GLY   1 -13.089  -1.846   1.192
    4   1HA   GLY   1          2HA       GLY   1 -12.933  -4.569   1.429
    5   2HA   GLY   1          1HA       GLY   1 -13.023  -4.281  -0.306
    6    H    CYS   2           H        CYS   2 -10.645  -5.272   0.693
    7    HA   CYS   2           HA       CYS   2  -8.814  -2.878   0.630
    8   1HB   CYS   2          2HB       CYS   2  -9.194  -4.902   2.568
    9   2HB   CYS   2          1HB       CYS   2  -7.655  -5.265   1.789
   10    H    ARG   3           H        ARG   3  -7.217  -2.959  -0.932
   11    HA   ARG   3           HA       ARG   3  -6.966  -5.502  -2.523
   12   1HB   ARG   3          2HB       ARG   3  -7.985  -3.072  -3.344
   13   2HB   ARG   3          1HB       ARG   3  -6.287  -2.893  -3.776
   14   1HG   ARG   3          2HG       ARG   3  -6.320  -4.666  -5.259
   15   2HG   ARG   3          1HG       ARG   3  -7.701  -5.430  -4.483
   16   1HD   ARG   3          2HD       ARG   3  -9.222  -3.809  -5.426
   17   2HD   ARG   3          1HD       ARG   3  -7.890  -2.791  -5.987
   18    HE   ARG   3           HE       ARG   3  -7.560  -5.431  -7.058
   19   1HH1  ARG   3          1HH2      ARG   3  -9.563  -2.592  -7.344
   20   2HH1  ARG   3          2HH2      ARG   3  -9.934  -2.878  -9.014
   21   1HH2  ARG   3          1HH1      ARG   3  -8.025  -5.761  -9.221
   22   2HH2  ARG   3          2HH1      ARG   3  -9.064  -4.663 -10.065
   23    H    PHE   4           H        PHE   4  -4.773  -5.882  -3.393
   24    HA   PHE   4           HA       PHE   4  -2.646  -5.020  -1.539
   25   1HB   PHE   4          2HB       PHE   4  -3.148  -7.310  -2.787
   26   2HB   PHE   4          1HB       PHE   4  -2.217  -6.570  -4.087
   27    HD1  PHE   4           1HD      PHE   4   0.106  -6.762  -4.064
   28    HD2  PHE   4           2HD      PHE   4  -2.065  -7.152  -0.377
   29    HE1  PHE   4           1HE      PHE   4   2.213  -7.337  -2.881
   30    HE2  PHE   4           2HE      PHE   4   0.042  -7.721   0.804
   31    HZ   PHE   4           HZ       PHE   4   2.179  -7.819  -0.449
   32    H    CYS   5           H        CYS   5  -1.242  -3.348  -1.933
   33    HA   CYS   5           HA       CYS   5  -0.853  -2.412  -4.743
   34   1HB   CYS   5          2HB       CYS   5  -1.766  -0.315  -4.343
   35   2HB   CYS   5          1HB       CYS   5  -2.764  -1.275  -3.257
   36    H    CYS   6           H        CYS   6   0.997  -0.853  -4.888
   37    HA   CYS   6           HA       CYS   6   3.023  -1.411  -2.742
   38   1HB   CYS   6          2HB       CYS   6   3.493  -0.775  -5.668
   39   2HB   CYS   6          1HB       CYS   6   4.663  -1.418  -4.513
   40    H    ASN   7           H        ASN   7   1.281   0.799  -2.433
   41    HA   ASN   7           HA       ASN   7   3.143   2.984  -2.110
   42   1HB   ASN   7          2HB       ASN   7   2.301   2.655  -4.705
   43   2HB   ASN   7          1HB       ASN   7   1.117   3.813  -4.097
   44   1HD2  ASN   7          1HD2      ASN   7   4.164   3.644  -5.505
   45   2HD2  ASN   7          2HD2      ASN   7   4.768   5.144  -4.993
   46    H    CYS   8           H        CYS   8   1.238   1.747  -0.398
   47    HA   CYS   8           HA       CYS   8  -1.240   3.286  -0.254
   48   1HB   CYS   8          2HB       CYS   8  -1.669   1.936   1.623
   49   2HB   CYS   8          1HB       CYS   8  -0.554   0.918   0.718
   50    H    CYS   9           H        CYS   9   1.885   3.347   1.383
   51    HA   CYS   9           HA       CYS   9   1.347   6.091   2.376
   52   1HB   CYS   9          2HB       CYS   9   2.348   3.965   4.249
   53   2HB   CYS   9          1HB       CYS   9   1.339   5.365   4.600
   54    HA   PRO  10           HA       PRO  10   5.653   6.446   1.435
   55   1HB   PRO  10          2HB       PRO  10   6.374   8.463   3.149
   56   2HB   PRO  10          1HB       PRO  10   5.424   8.733   1.673
   57   1HG   PRO  10          2HG       PRO  10   4.508   8.526   4.503
   58   2HG   PRO  10          1HG       PRO  10   3.966   9.617   3.217
   59   1HD   PRO  10          2HD       PRO  10   2.572   7.410   3.966
   60   2HD   PRO  10          1HD       PRO  10   2.544   8.062   2.311
   61    H    ASN  11           H        ASN  11   5.464   4.193   2.855
   62    HA   ASN  11           HA       ASN  11   7.753   4.313   4.741
   63   1HB   ASN  11          2HB       ASN  11   4.894   3.704   5.433
   64   2HB   ASN  11          1HB       ASN  11   6.170   2.833   6.282
   65   1HD2  ASN  11          1HD2      ASN  11   8.076   4.533   6.969
   66   2HD2  ASN  11          2HD2      ASN  11   7.488   5.931   7.732
   67    H    MET  12           H        MET  12   5.179   2.173   3.423
   68    HA   MET  12           HA       MET  12   6.779  -0.232   3.600
   69   1HB   MET  12          2HB       MET  12   4.130   0.649   2.681
   70   2HB   MET  12          1HB       MET  12   4.792  -0.656   1.700
   71   1HG   MET  12          2HG       MET  12   4.701  -0.731   4.728
   72   2HG   MET  12          1HG       MET  12   3.451  -1.432   3.699
   73   1HE   MET  12          1HE       MET  12   5.745  -2.534   5.938
   74   2HE   MET  12          2HE       MET  12   7.000  -1.617   5.110
   75   3HE   MET  12          3HE       MET  12   7.111  -3.373   5.189
   76    H    SER  13           H        SER  13   8.727  -0.110   2.439
   77    HA   SER  13           HA       SER  13   8.830   0.999  -0.283
   78   1HB   SER  13          2HB       SER  13  10.615   0.169   1.841
   79   2HB   SER  13          1HB       SER  13  11.123  -0.563   0.323
   80    HG   SER  13           HG       SER  13  12.054   1.375   0.227
   81    H    GLY  14           H        GLY  14   6.874  -0.847  -0.470
   82   1HA   GLY  14          2HA       GLY  14   7.830  -2.703  -2.427
   83   2HA   GLY  14          1HA       GLY  14   7.570  -3.560  -0.906
   84    H    CYS  15           H        CYS  15   5.601  -4.556  -0.969
   85    HA   CYS  15           HA       CYS  15   3.251  -2.968  -1.933
   86   1HB   CYS  15          2HB       CYS  15   3.913  -5.872  -2.530
   87   2HB   CYS  15          1HB       CYS  15   2.465  -5.025  -3.075
   88    H    GLY  16           H        GLY  16   1.298  -3.421  -0.803
   89   1HA   GLY  16          2HA       GLY  16   1.233  -5.567   1.193
   90   2HA   GLY  16          1HA       GLY  16   1.294  -3.947   1.887
   91    H    VAL  17           H        VAL  17  -0.899  -4.847   2.698
   92    HA   VAL  17           HA       VAL  17  -3.098  -4.903   0.764
   93    HB   VAL  17           HB       VAL  17  -3.068  -4.806   3.804
   94   1HG1  VAL  17          1HG1      VAL  17  -5.281  -6.089   3.378
   95   2HG1  VAL  17          2HG1      VAL  17  -5.177  -5.440   1.740
   96   3HG1  VAL  17          3HG1      VAL  17  -5.285  -4.344   3.119
   97   1HG2  VAL  17          1HG2      VAL  17  -3.571  -7.368   3.284
   98   2HG2  VAL  17          2HG2      VAL  17  -1.912  -6.777   3.371
   99   3HG2  VAL  17          3HG2      VAL  17  -2.685  -7.005   1.803
  100    H    CYS  18           H        CYS  18  -4.173  -3.103   0.062
  101    HA   CYS  18           HA       CYS  18  -3.992  -0.590   1.707
  102   1HB   CYS  18          2HB       CYS  18  -4.127  -0.860  -1.312
  103   2HB   CYS  18          1HB       CYS  18  -3.778   0.605  -0.394
  104    H    CYS  19           H        CYS  19  -5.992   0.106   2.337
  105    HA   CYS  19           HA       CYS  19  -8.409  -0.995   0.982
  106   1HB   CYS  19          2HB       CYS  19  -7.636  -0.033   3.664
  107   2HB   CYS  19          1HB       CYS  19  -9.236   0.504   3.151
  108    H    ARG  20           H        ARG  20  -7.136   2.154   2.137
  109    HA   ARG  20           HA       ARG  20  -8.905   3.522   0.135
  110   1HB   ARG  20          2HB       ARG  20  -7.524   4.601   2.615
  111   2HB   ARG  20          1HB       ARG  20  -8.748   5.427   1.651
  112   1HG   ARG  20          2HG       ARG  20 -10.116   3.167   2.205
  113   2HG   ARG  20          1HG       ARG  20  -9.068   3.210   3.622
  114   1HD   ARG  20          2HD       ARG  20  -9.803   5.635   3.946
  115   2HD   ARG  20          1HD       ARG  20 -11.047   5.317   2.726
  116    HE   ARG  20           HE       ARG  20 -10.764   3.723   5.255
  117   1HH1  ARG  20          1HH2      ARG  20 -12.716   5.087   2.693
  118   2HH1  ARG  20          2HH2      ARG  20 -14.188   4.445   3.321
  119   1HH2  ARG  20          1HH1      ARG  20 -12.694   2.916   6.061
  120   2HH2  ARG  20          2HH1      ARG  20 -14.179   3.213   5.222
  121    H    PHE  21           H        PHE  21  -7.897   5.395  -0.997
  122    HA   PHE  21           HA       PHE  21  -4.905   5.269  -1.134
  123   1HB   PHE  21          2HB       PHE  21  -6.961   5.256  -3.372
  124   2HB   PHE  21          1HB       PHE  21  -5.243   5.535  -3.641
  125    HD1  PHE  21           1HD      PHE  21  -3.700   3.728  -3.707
  126    HD2  PHE  21           2HD      PHE  21  -7.711   3.083  -2.319
  127    HE1  PHE  21           1HE      PHE  21  -3.314   1.280  -3.721
  128    HE2  PHE  21           2HE      PHE  21  -7.324   0.636  -2.324
  129    HZ   PHE  21           HZ       PHE  21  -5.122  -0.269  -3.022
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1 -13.448  -5.760   0.161
    2   2H    GLY   1          2HT       GLY   1 -12.795  -4.456  -0.708
    3   3H    GLY   1          3HT       GLY   1 -14.280  -4.282   0.091
    4   1HA   GLY   1          2HA       GLY   1 -13.273  -3.586   1.911
    5   2HA   GLY   1          1HA       GLY   1 -12.404  -5.116   1.986
    6    H    CYS   2           H        CYS   2 -10.229  -5.147   1.416
    7    HA   CYS   2           HA       CYS   2  -9.072  -2.529   0.500
    8   1HB   CYS   2          2HB       CYS   2  -7.841  -4.693   2.242
    9   2HB   CYS   2          1HB       CYS   2  -7.155  -3.105   1.898
   10    H    ARG   3           H        ARG   3  -7.278  -2.688  -0.980
   11    HA   ARG   3           HA       ARG   3  -7.088  -5.326  -2.406
   12   1HB   ARG   3          2HB       ARG   3  -6.941  -2.449  -3.390
   13   2HB   ARG   3          1HB       ARG   3  -6.633  -3.856  -4.407
   14   1HG   ARG   3          2HG       ARG   3  -8.910  -4.695  -3.920
   15   2HG   ARG   3          1HG       ARG   3  -9.224  -3.261  -2.945
   16   1HD   ARG   3          2HD       ARG   3  -9.024  -1.810  -4.889
   17   2HD   ARG   3          1HD       ARG   3  -8.466  -3.164  -5.892
   18    HE   ARG   3           HE       ARG   3 -10.888  -4.023  -4.825
   19   1HH1  ARG   3          1HH2      ARG   3  -9.784  -1.355  -6.709
   20   2HH1  ARG   3          2HH2      ARG   3 -11.284  -1.135  -7.532
   21   1HH2  ARG   3          1HH1      ARG   3 -12.859  -3.779  -5.905
   22   2HH2  ARG   3          2HH1      ARG   3 -13.029  -2.515  -7.070
   23    H    PHE   4           H        PHE   4  -4.916  -5.798  -3.293
   24    HA   PHE   4           HA       PHE   4  -2.775  -4.830  -1.511
   25   1HB   PHE   4          2HB       PHE   4  -3.380  -7.225  -2.629
   26   2HB   PHE   4          1HB       PHE   4  -2.260  -6.621  -3.850
   27    HD1  PHE   4           1HD      PHE   4  -2.605  -7.133  -0.150
   28    HD2  PHE   4           2HD      PHE   4   0.064  -6.744  -3.497
   29    HE1  PHE   4           1HE      PHE   4  -0.682  -7.697   1.314
   30    HE2  PHE   4           2HE      PHE   4   1.979  -7.322  -2.034
   31    HZ   PHE   4           HZ       PHE   4   1.610  -7.791   0.371
   32    H    CYS   5           H        CYS   5  -1.209  -3.341  -2.098
   33    HA   CYS   5           HA       CYS   5  -0.873  -2.653  -4.979
   34   1HB   CYS   5          2HB       CYS   5  -1.180  -0.235  -4.385
   35   2HB   CYS   5          1HB       CYS   5  -2.643  -1.191  -4.144
   36    H    CYS   6           H        CYS   6   1.124  -1.476  -5.392
   37    HA   CYS   6           HA       CYS   6   3.226  -1.947  -3.331
   38   1HB   CYS   6          2HB       CYS   6   3.060  -1.630  -6.305
   39   2HB   CYS   6          1HB       CYS   6   4.562  -1.153  -5.519
   40    H    ASN   7           H        ASN   7   1.288   0.290  -3.075
   41    HA   ASN   7           HA       ASN   7   3.118   2.436  -2.461
   42   1HB   ASN   7          2HB       ASN   7   2.377   2.199  -5.160
   43   2HB   ASN   7          1HB       ASN   7   1.337   3.477  -4.532
   44   1HD2  ASN   7          1HD2      ASN   7   4.790   2.546  -3.947
   45   2HD2  ASN   7          2HD2      ASN   7   5.393   4.119  -4.178
   46    H    CYS   8           H        CYS   8   1.954   2.567  -0.492
   47    HA   CYS   8           HA       CYS   8  -0.899   3.505  -0.725
   48   1HB   CYS   8          2HB       CYS   8  -1.520   2.050   0.987
   49   2HB   CYS   8          1HB       CYS   8  -0.269   1.092   0.199
   50    H    CYS   9           H        CYS   9   2.029   3.469   1.269
   51    HA   CYS   9           HA       CYS   9   1.377   6.185   2.280
   52   1HB   CYS   9          2HB       CYS   9   2.120   3.988   4.191
   53   2HB   CYS   9          1HB       CYS   9   1.080   5.384   4.456
   54    HA   PRO  10           HA       PRO  10   5.795   6.498   1.997
   55   1HB   PRO  10          2HB       PRO  10   6.275   8.480   3.826
   56   2HB   PRO  10          1HB       PRO  10   5.550   8.785   2.236
   57   1HG   PRO  10          2HG       PRO  10   4.244   8.575   4.903
   58   2HG   PRO  10          1HG       PRO  10   3.881   9.659   3.551
   59   1HD   PRO  10          2HD       PRO  10   2.422   7.425   4.136
   60   2HD   PRO  10          1HD       PRO  10   2.552   8.123   2.506
   61    H    ASN  11           H        ASN  11   5.183   4.260   3.449
   62    HA   ASN  11           HA       ASN  11   7.265   4.240   5.563
   63   1HB   ASN  11          2HB       ASN  11   4.309   4.094   5.957
   64   2HB   ASN  11          1HB       ASN  11   5.283   2.978   6.908
   65   1HD2  ASN  11          1HD2      ASN  11   7.178   4.073   8.140
   66   2HD2  ASN  11          2HD2      ASN  11   6.893   5.627   8.763
   67    H    MET  12           H        MET  12   6.480   2.860   2.839
   68    HA   MET  12           HA       MET  12   7.330   0.158   3.646
   69   1HB   MET  12          2HB       MET  12   4.546   0.921   3.246
   70   2HB   MET  12          1HB       MET  12   5.024  -0.350   2.123
   71   1HG   MET  12          2HG       MET  12   5.675  -1.810   3.894
   72   2HG   MET  12          1HG       MET  12   5.644  -0.504   5.079
   73   1HE   MET  12          1HE       MET  12   2.587  -3.138   3.323
   74   2HE   MET  12          2HE       MET  12   4.008  -2.445   2.544
   75   3HE   MET  12          3HE       MET  12   2.441  -1.643   2.400
   76    H    SER  13           H        SER  13   9.012   0.156   2.139
   77    HA   SER  13           HA       SER  13   8.526   1.049  -0.641
   78   1HB   SER  13          2HB       SER  13  11.078  -0.206  -0.249
   79   2HB   SER  13          1HB       SER  13  10.732   1.505  -0.452
   80    HG   SER  13           HG       SER  13  10.605   1.744   1.721
   81    H    GLY  14           H        GLY  14   6.808  -0.850  -0.622
   82   1HA   GLY  14          2HA       GLY  14   7.880  -2.987  -2.253
   83   2HA   GLY  14          1HA       GLY  14   7.469  -3.569  -0.639
   84    H    CYS  15           H        CYS  15   5.513  -4.572  -0.740
   85    HA   CYS  15           HA       CYS  15   3.241  -3.121  -2.026
   86   1HB   CYS  15          2HB       CYS  15   4.614  -5.360  -3.076
   87   2HB   CYS  15          1HB       CYS  15   3.087  -5.981  -2.449
   88    H    GLY  16           H        GLY  16   1.361  -3.286  -0.831
   89   1HA   GLY  16          2HA       GLY  16   1.047  -5.460   1.151
   90   2HA   GLY  16          1HA       GLY  16   1.141  -3.827   1.809
   91    H    VAL  17           H        VAL  17  -1.152  -5.068   2.343
   92    HA   VAL  17           HA       VAL  17  -3.177  -4.626   0.266
   93    HB   VAL  17           HB       VAL  17  -3.210  -6.464   1.978
   94   1HG1  VAL  17          1HG1      VAL  17  -2.464  -4.687   3.808
   95   2HG1  VAL  17          2HG1      VAL  17  -3.461  -6.072   4.252
   96   3HG1  VAL  17          3HG1      VAL  17  -4.206  -4.493   4.007
   97   1HG2  VAL  17          1HG2      VAL  17  -5.562  -4.554   2.125
   98   2HG2  VAL  17          2HG2      VAL  17  -5.609  -6.282   2.474
   99   3HG2  VAL  17          3HG2      VAL  17  -5.282  -5.719   0.833
  100    H    CYS  18           H        CYS  18  -4.321  -2.760  -0.029
  101    HA   CYS  18           HA       CYS  18  -4.249  -0.687   2.139
  102   1HB   CYS  18          2HB       CYS  18  -4.239   0.901   0.036
  103   2HB   CYS  18          1HB       CYS  18  -2.736   0.134   0.538
  104    H    CYS  19           H        CYS  19  -6.227   0.330   2.502
  105    HA   CYS  19           HA       CYS  19  -8.587  -0.683   0.981
  106   1HB   CYS  19          2HB       CYS  19  -8.587   0.970   3.514
  107   2HB   CYS  19          1HB       CYS  19  -9.822  -0.158   2.954
  108    H    ARG  20           H        ARG  20  -7.210   2.365   2.245
  109    HA   ARG  20           HA       ARG  20  -8.806   3.885   0.227
  110   1HB   ARG  20          2HB       ARG  20  -9.044   4.322   2.715
  111   2HB   ARG  20          1HB       ARG  20  -7.367   4.859   2.707
  112   1HG   ARG  20          2HG       ARG  20  -8.212   6.385   0.702
  113   2HG   ARG  20          1HG       ARG  20  -9.776   6.154   1.492
  114   1HD   ARG  20          2HD       ARG  20  -9.140   7.901   2.818
  115   2HD   ARG  20          1HD       ARG  20  -8.120   6.723   3.637
  116    HE   ARG  20           HE       ARG  20  -6.251   7.419   2.223
  117   1HH1  ARG  20          1HH2      ARG  20  -9.163   9.315   1.848
  118   2HH1  ARG  20          2HH2      ARG  20  -8.324  10.677   1.205
  119   1HH2  ARG  20          1HH1      ARG  20  -5.208   9.194   1.333
  120   2HH2  ARG  20          2HH1      ARG  20  -6.103  10.605   0.905
  121    H    PHE  21           H        PHE  21  -7.630   5.616  -0.916
  122    HA   PHE  21           HA       PHE  21  -4.650   5.236  -0.966
  123   1HB   PHE  21          2HB       PHE  21  -6.635   5.569  -3.249
  124   2HB   PHE  21          1HB       PHE  21  -4.886   5.564  -3.457
  125    HD1  PHE  21           1HD      PHE  21  -7.769   3.522  -2.256
  126    HD2  PHE  21           2HD      PHE  21  -3.668   3.522  -3.529
  127    HE1  PHE  21           1HE      PHE  21  -7.789   1.043  -2.301
  128    HE2  PHE  21           2HE      PHE  21  -3.689   1.051  -3.582
  129    HZ   PHE  21           HZ       PHE  21  -5.741  -0.199  -2.962
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1 -14.055  -3.454  -0.201
    2   2H    GLY   1          2HT       GLY   1 -14.344  -3.861   1.423
    3   3H    GLY   1          3HT       GLY   1 -15.092  -4.738   0.175
    4   1HA   GLY   1          2HA       GLY   1 -13.133  -5.856   1.266
    5   2HA   GLY   1          1HA       GLY   1 -13.108  -5.758  -0.493
    6    H    CYS   2           H        CYS   2 -10.654  -6.079   0.404
    7    HA   CYS   2           HA       CYS   2  -9.423  -3.328   0.561
    8   1HB   CYS   2          2HB       CYS   2  -9.342  -5.483   2.365
    9   2HB   CYS   2          1HB       CYS   2  -7.775  -5.502   1.558
   10    H    ARG   3           H        ARG   3  -7.285  -3.196  -0.502
   11    HA   ARG   3           HA       ARG   3  -6.812  -5.335  -2.549
   12   1HB   ARG   3          2HB       ARG   3  -7.196  -2.359  -2.873
   13   2HB   ARG   3          1HB       ARG   3  -6.319  -3.299  -4.082
   14   1HG   ARG   3          2HG       ARG   3  -8.395  -4.872  -4.028
   15   2HG   ARG   3          1HG       ARG   3  -9.222  -3.497  -3.289
   16   1HD   ARG   3          2HD       ARG   3  -8.354  -2.096  -5.253
   17   2HD   ARG   3          1HD       ARG   3  -7.932  -3.642  -6.026
   18    HE   ARG   3           HE       ARG   3 -10.264  -4.230  -6.105
   19   1HH1  ARG   3          1HH2      ARG   3  -9.702  -1.193  -4.497
   20   2HH1  ARG   3          2HH2      ARG   3 -11.350  -0.703  -4.569
   21   1HH2  ARG   3          1HH1      ARG   3 -12.432  -3.627  -6.117
   22   2HH2  ARG   3          2HH1      ARG   3 -12.911  -2.096  -5.471
   23    H    PHE   4           H        PHE   4  -4.579  -5.332  -3.364
   24    HA   PHE   4           HA       PHE   4  -2.628  -4.486  -1.306
   25   1HB   PHE   4          2HB       PHE   4  -2.884  -6.680  -2.873
   26   2HB   PHE   4          1HB       PHE   4  -1.799  -5.733  -3.887
   27    HD1  PHE   4           1HD      PHE   4   0.313  -6.705  -3.654
   28    HD2  PHE   4           2HD      PHE   4  -2.042  -5.936  -0.145
   29    HE1  PHE   4           1HE      PHE   4   2.224  -7.368  -2.223
   30    HE2  PHE   4           2HE      PHE   4  -0.125  -6.599   1.286
   31    HZ   PHE   4           HZ       PHE   4   2.011  -7.311   0.247
   32    H    CYS   5           H        CYS   5  -1.326  -2.706  -1.488
   33    HA   CYS   5           HA       CYS   5  -1.261  -1.285  -4.147
   34   1HB   CYS   5          2HB       CYS   5  -1.562  -0.328  -1.302
   35   2HB   CYS   5          1HB       CYS   5  -0.955   0.759  -2.547
   36    H    CYS   6           H        CYS   6   0.792  -0.323  -4.707
   37    HA   CYS   6           HA       CYS   6   3.099  -1.150  -2.981
   38   1HB   CYS   6          2HB       CYS   6   2.975  -0.790  -5.992
   39   2HB   CYS   6          1HB       CYS   6   4.349  -1.401  -5.068
   40    H    ASN   7           H        ASN   7   1.622   1.311  -2.706
   41    HA   ASN   7           HA       ASN   7   3.748   3.240  -2.645
   42   1HB   ASN   7          2HB       ASN   7   3.233   3.041  -5.135
   43   2HB   ASN   7          1HB       ASN   7   1.634   3.696  -4.778
   44   1HD2  ASN   7          1HD2      ASN   7   4.994   4.515  -5.207
   45   2HD2  ASN   7          2HD2      ASN   7   4.828   6.181  -4.928
   46    H    CYS   8           H        CYS   8   3.110   4.468  -0.910
   47    HA   CYS   8           HA       CYS   8   0.543   5.777  -0.730
   48   1HB   CYS   8          2HB       CYS   8  -0.644   4.407   0.731
   49   2HB   CYS   8          1HB       CYS   8   0.200   3.189  -0.217
   50    H    CYS   9           H        CYS   9   3.138   4.321   1.190
   51    HA   CYS   9           HA       CYS   9   3.544   6.893   2.620
   52   1HB   CYS   9          2HB       CYS   9   3.308   4.327   4.157
   53   2HB   CYS   9          1HB       CYS   9   2.855   5.959   4.642
   54    HA   PRO  10           HA       PRO  10   7.729   5.459   2.239
   55   1HB   PRO  10          2HB       PRO  10   8.924   7.055   4.111
   56   2HB   PRO  10          1HB       PRO  10   8.373   7.658   2.536
   57   1HG   PRO  10          2HG       PRO  10   7.102   7.914   5.210
   58   2HG   PRO  10          1HG       PRO  10   7.157   9.068   3.869
   59   1HD   PRO  10          2HD       PRO  10   4.982   7.508   4.481
   60   2HD   PRO  10          1HD       PRO  10   5.309   8.186   2.871
   61    H    ASN  11           H        ASN  11   6.325   3.561   3.624
   62    HA   ASN  11           HA       ASN  11   8.189   2.828   5.838
   63   1HB   ASN  11          2HB       ASN  11   5.151   2.852   5.996
   64   2HB   ASN  11          1HB       ASN  11   6.232   2.271   7.260
   65   1HD2  ASN  11          1HD2      ASN  11   7.660   3.936   8.313
   66   2HD2  ASN  11          2HD2      ASN  11   7.190   5.566   8.295
   67    H    MET  12           H        MET  12   7.769   1.834   3.050
   68    HA   MET  12           HA       MET  12   7.742  -1.007   3.593
   69   1HB   MET  12          2HB       MET  12   5.599  -1.420   2.269
   70   2HB   MET  12          1HB       MET  12   5.366  -0.695   3.858
   71   1HG   MET  12          2HG       MET  12   4.432   1.151   2.955
   72   2HG   MET  12          1HG       MET  12   5.782   1.354   1.840
   73   1HE   MET  12          1HE       MET  12   2.648  -0.687   2.670
   74   2HE   MET  12          2HE       MET  12   1.727  -0.578   1.172
   75   3HE   MET  12          3HE       MET  12   2.115   0.889   2.069
   76    H    SER  13           H        SER  13   9.526  -1.245   2.217
   77    HA   SER  13           HA       SER  13   9.627   0.048  -0.418
   78   1HB   SER  13          2HB       SER  13  11.360  -2.129   0.809
   79   2HB   SER  13          1HB       SER  13  11.792  -1.090  -0.546
   80    HG   SER  13           HG       SER  13  12.498   0.250   0.907
   81    H    GLY  14           H        GLY  14   7.319  -1.258  -0.669
   82   1HA   GLY  14          2HA       GLY  14   7.689  -3.120  -2.790
   83   2HA   GLY  14          1HA       GLY  14   7.376  -4.035  -1.315
   84    H    CYS  15           H        CYS  15   5.250  -4.379  -0.830
   85    HA   CYS  15           HA       CYS  15   3.214  -2.404  -1.781
   86   1HB   CYS  15          2HB       CYS  15   3.133  -5.413  -2.157
   87   2HB   CYS  15          1HB       CYS  15   1.889  -4.275  -2.671
   88    H    GLY  16           H        GLY  16   1.227  -2.492  -0.551
   89   1HA   GLY  16          2HA       GLY  16   1.209  -4.241   1.856
   90   2HA   GLY  16          1HA       GLY  16   1.107  -2.496   2.092
   91    H    VAL  17           H        VAL  17  -1.006  -3.950   2.999
   92    HA   VAL  17           HA       VAL  17  -3.105  -4.215   0.968
   93    HB   VAL  17           HB       VAL  17  -3.308  -4.197   4.002
   94   1HG1  VAL  17          1HG1      VAL  17  -5.480  -4.166   2.999
   95   2HG1  VAL  17          2HG1      VAL  17  -5.178  -5.847   3.439
   96   3HG1  VAL  17          3HG1      VAL  17  -5.004  -5.330   1.762
   97   1HG2  VAL  17          1HG2      VAL  17  -2.279  -6.257   2.077
   98   2HG2  VAL  17          2HG2      VAL  17  -3.213  -6.802   3.471
   99   3HG2  VAL  17          3HG2      VAL  17  -1.727  -5.880   3.706
  100    H    CYS  18           H        CYS  18  -4.419  -2.570   0.299
  101    HA   CYS  18           HA       CYS  18  -4.662  -0.140   2.054
  102   1HB   CYS  18          2HB       CYS  18  -4.834   1.094  -0.169
  103   2HB   CYS  18          1HB       CYS  18  -3.259   0.378   0.159
  104    H    CYS  19           H        CYS  19  -6.762   0.464   2.487
  105    HA   CYS  19           HA       CYS  19  -8.959  -0.898   0.947
  106   1HB   CYS  19          2HB       CYS  19  -8.312  -0.610   3.771
  107   2HB   CYS  19          1HB       CYS  19  -9.927   0.013   3.429
  108    H    ARG  20           H        ARG  20  -7.491   1.892   0.749
  109    HA   ARG  20           HA       ARG  20  -9.935   3.628   0.915
  110   1HB   ARG  20          2HB       ARG  20  -6.968   4.295   0.853
  111   2HB   ARG  20          1HB       ARG  20  -8.273   5.461   1.064
  112   1HG   ARG  20          2HG       ARG  20  -8.945   4.368   3.155
  113   2HG   ARG  20          1HG       ARG  20  -7.697   3.142   2.937
  114   1HD   ARG  20          2HD       ARG  20  -6.477   5.739   2.710
  115   2HD   ARG  20          1HD       ARG  20  -7.408   5.672   4.216
  116    HE   ARG  20           HE       ARG  20  -5.155   3.883   3.477
  117   1HH1  ARG  20          1HH2      ARG  20  -7.749   4.674   5.658
  118   2HH1  ARG  20          2HH2      ARG  20  -7.083   3.779   6.977
  119   1HH2  ARG  20          1HH1      ARG  20  -4.280   2.714   5.214
  120   2HH2  ARG  20          2HH1      ARG  20  -5.118   2.663   6.727
  121    H    PHE  21           H        PHE  21 -10.877   3.788  -1.101
  122    HA   PHE  21           HA       PHE  21  -9.114   4.317  -3.458
  123   1HB   PHE  21          2HB       PHE  21 -11.311   2.260  -3.124
  124   2HB   PHE  21          1HB       PHE  21 -10.729   2.773  -4.708
  125    HD1  PHE  21           1HD      PHE  21  -8.348   2.384  -5.366
  126    HD2  PHE  21           2HD      PHE  21  -9.988   0.826  -1.713
  127    HE1  PHE  21           1HE      PHE  21  -6.425   0.832  -5.161
  128    HE2  PHE  21           2HE      PHE  21  -8.069  -0.729  -1.511
  129    HZ   PHE  21           HZ       PHE  21  -6.284  -0.718  -3.233
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1 -13.021  -7.663   0.283
    2   2H    GLY   1          2HT       GLY   1 -14.558  -6.987   0.534
    3   3H    GLY   1          3HT       GLY   1 -13.196  -6.301   1.280
    4   1HA   GLY   1          2HA       GLY   1 -13.149  -6.489  -1.636
    5   2HA   GLY   1          1HA       GLY   1 -14.243  -5.302  -0.927
    6    H    CYS   2           H        CYS   2 -10.846  -6.302  -1.081
    7    HA   CYS   2           HA       CYS   2 -10.058  -3.472  -0.491
    8   1HB   CYS   2          2HB       CYS   2  -9.036  -6.033   0.791
    9   2HB   CYS   2          1HB       CYS   2  -8.240  -4.469   0.952
   10    H    ARG   3           H        ARG   3  -7.872  -2.986  -1.336
   11    HA   ARG   3           HA       ARG   3  -7.005  -4.887  -3.509
   12   1HB   ARG   3          2HB       ARG   3  -8.126  -2.450  -3.853
   13   2HB   ARG   3          1HB       ARG   3  -6.443  -1.957  -3.678
   14   1HG   ARG   3          2HG       ARG   3  -5.858  -2.829  -5.679
   15   2HG   ARG   3          1HG       ARG   3  -6.819  -4.290  -5.424
   16   1HD   ARG   3          2HD       ARG   3  -8.893  -2.988  -5.975
   17   2HD   ARG   3          1HD       ARG   3  -7.877  -1.575  -6.330
   18    HE   ARG   3           HE       ARG   3  -7.993  -4.072  -7.917
   19   1HH1  ARG   3          1HH2      ARG   3  -6.406  -1.042  -7.255
   20   2HH1  ARG   3          2HH2      ARG   3  -5.704  -0.922  -8.834
   21   1HH2  ARG   3          1HH1      ARG   3  -6.985  -3.950  -9.946
   22   2HH2  ARG   3          2HH1      ARG   3  -5.992  -2.576 -10.335
   23    H    PHE   4           H        PHE   4  -4.701  -4.947  -3.904
   24    HA   PHE   4           HA       PHE   4  -3.067  -4.316  -1.490
   25   1HB   PHE   4          2HB       PHE   4  -3.263  -6.554  -2.934
   26   2HB   PHE   4          1HB       PHE   4  -2.064  -5.744  -3.938
   27    HD1  PHE   4           1HD      PHE   4  -0.044  -6.869  -3.505
   28    HD2  PHE   4           2HD      PHE   4  -2.528  -5.642  -0.214
   29    HE1  PHE   4           1HE      PHE   4   1.732  -7.530  -1.910
   30    HE2  PHE   4           2HE      PHE   4  -0.746  -6.306   1.373
   31    HZ   PHE   4           HZ       PHE   4   1.394  -7.239   0.533
   32    H    CYS   5           H        CYS   5  -1.655  -2.591  -1.504
   33    HA   CYS   5           HA       CYS   5  -1.019  -1.365  -4.176
   34   1HB   CYS   5          2HB       CYS   5  -1.078   0.212  -1.618
   35   2HB   CYS   5          1HB       CYS   5  -1.422   0.746  -3.262
   36    H    CYS   6           H        CYS   6   1.133  -0.539  -4.422
   37    HA   CYS   6           HA       CYS   6   3.066  -1.341  -2.270
   38   1HB   CYS   6          2HB       CYS   6   3.523  -1.280  -5.267
   39   2HB   CYS   6          1HB       CYS   6   4.593  -1.966  -4.046
   40    H    ASN   7           H        ASN   7   1.783   1.251  -2.497
   41    HA   ASN   7           HA       ASN   7   4.159   2.961  -2.506
   42   1HB   ASN   7          2HB       ASN   7   3.401   2.579  -4.944
   43   2HB   ASN   7          1HB       ASN   7   1.981   3.539  -4.530
   44   1HD2  ASN   7          1HD2      ASN   7   5.578   3.722  -4.324
   45   2HD2  ASN   7          2HD2      ASN   7   5.649   5.395  -4.596
   46    H    CYS   8           H        CYS   8   3.562   3.775  -0.471
   47    HA   CYS   8           HA       CYS   8   1.031   5.375  -0.374
   48   1HB   CYS   8          2HB       CYS   8   0.278   4.299   1.562
   49   2HB   CYS   8          1HB       CYS   8   1.023   2.950   0.709
   50    H    CYS   9           H        CYS   9   4.068   4.533   1.242
   51    HA   CYS   9           HA       CYS   9   4.459   7.366   2.037
   52   1HB   CYS   9          2HB       CYS   9   4.799   5.159   4.041
   53   2HB   CYS   9          1HB       CYS   9   4.277   6.820   4.299
   54    HA   PRO  10           HA       PRO  10   8.630   6.207   1.066
   55   1HB   PRO  10          2HB       PRO  10  10.000   8.135   2.445
   56   2HB   PRO  10          1HB       PRO  10   9.103   8.463   0.950
   57   1HG   PRO  10          2HG       PRO  10   8.330   8.991   3.773
   58   2HG   PRO  10          1HG       PRO  10   8.040   9.963   2.323
   59   1HD   PRO  10          2HD       PRO  10   6.148   8.374   3.501
   60   2HD   PRO  10          1HD       PRO  10   6.143   8.821   1.780
   61    H    ASN  11           H        ASN  11   7.691   4.437   2.949
   62    HA   ASN  11           HA       ASN  11  10.081   3.906   4.571
   63   1HB   ASN  11          2HB       ASN  11   8.711   5.577   5.868
   64   2HB   ASN  11          1HB       ASN  11   7.400   4.398   5.914
   65   1HD2  ASN  11          1HD2      ASN  11   7.425   3.728   8.098
   66   2HD2  ASN  11          2HD2      ASN  11   8.795   3.109   8.882
   67    H    MET  12           H        MET  12   8.606   2.509   2.432
   68    HA   MET  12           HA       MET  12   8.253  -0.092   3.785
   69   1HB   MET  12          2HB       MET  12   6.062   1.687   2.986
   70   2HB   MET  12          1HB       MET  12   5.927   0.086   2.260
   71   1HG   MET  12          2HG       MET  12   5.799  -0.988   4.344
   72   2HG   MET  12          1HG       MET  12   6.533   0.371   5.197
   73   1HE   MET  12          1HE       MET  12   3.265  -1.423   4.479
   74   2HE   MET  12          2HE       MET  12   3.682  -0.704   2.924
   75   3HE   MET  12          3HE       MET  12   2.231  -0.173   3.772
   76    H    SER  13           H        SER  13   9.775  -1.068   2.416
   77    HA   SER  13           HA       SER  13   9.672  -0.606  -0.504
   78   1HB   SER  13          2HB       SER  13  11.563  -1.493   1.497
   79   2HB   SER  13          1HB       SER  13  11.478  -2.685   0.204
   80    HG   SER  13           HG       SER  13  12.475  -1.326  -1.046
   81    H    GLY  14           H        GLY  14   7.293  -1.645  -0.150
   82   1HA   GLY  14          2HA       GLY  14   7.376  -4.228  -1.422
   83   2HA   GLY  14          1HA       GLY  14   6.902  -4.390   0.268
   84    H    CYS  15           H        CYS  15   4.723  -4.694   0.248
   85    HA   CYS  15           HA       CYS  15   3.024  -2.637  -1.115
   86   1HB   CYS  15          2HB       CYS  15   2.714  -5.654  -1.253
   87   2HB   CYS  15          1HB       CYS  15   1.610  -4.481  -1.971
   88    H    GLY  16           H        GLY  16   0.806  -2.604  -0.232
   89   1HA   GLY  16          2HA       GLY  16   0.451  -3.955   2.401
   90   2HA   GLY  16          1HA       GLY  16   0.271  -2.199   2.314
   91    H    VAL  17           H        VAL  17  -1.898  -3.835   3.083
   92    HA   VAL  17           HA       VAL  17  -3.629  -4.155   0.703
   93    HB   VAL  17           HB       VAL  17  -4.167  -4.569   3.667
   94   1HG1  VAL  17          1HG1      VAL  17  -5.828  -6.264   2.612
   95   2HG1  VAL  17          2HG1      VAL  17  -5.605  -5.336   1.129
   96   3HG1  VAL  17          3HG1      VAL  17  -6.255  -4.552   2.569
   97   1HG2  VAL  17          1HG2      VAL  17  -3.157  -6.487   1.545
   98   2HG2  VAL  17          2HG2      VAL  17  -3.736  -6.982   3.135
   99   3HG2  VAL  17          3HG2      VAL  17  -2.297  -5.973   2.996
  100    H    CYS  18           H        CYS  18  -5.124  -2.640   0.100
  101    HA   CYS  18           HA       CYS  18  -5.805  -0.451   2.045
  102   1HB   CYS  18          2HB       CYS  18  -5.788   0.069  -0.895
  103   2HB   CYS  18          1HB       CYS  18  -5.345   1.135   0.427
  104    H    CYS  19           H        CYS  19  -8.016  -0.334   2.354
  105    HA   CYS  19           HA       CYS  19  -9.803  -1.799   0.451
  106   1HB   CYS  19          2HB       CYS  19 -10.249  -0.740   3.260
  107   2HB   CYS  19          1HB       CYS  19 -11.365  -1.773   2.368
  108    H    ARG  20           H        ARG  20  -9.486   1.357   2.105
  109    HA   ARG  20           HA       ARG  20 -11.571   2.462   0.254
  110   1HB   ARG  20          2HB       ARG  20 -10.528   3.338   2.967
  111   2HB   ARG  20          1HB       ARG  20 -11.709   4.255   2.031
  112   1HG   ARG  20          2HG       ARG  20 -12.275   1.372   2.416
  113   2HG   ARG  20          1HG       ARG  20 -12.406   2.395   3.849
  114   1HD   ARG  20          2HD       ARG  20 -14.243   3.541   3.037
  115   2HD   ARG  20          1HD       ARG  20 -13.696   3.437   1.351
  116    HE   ARG  20           HE       ARG  20 -14.476   0.889   2.656
  117   1HH1  ARG  20          1HH2      ARG  20 -15.345   3.560   0.580
  118   2HH1  ARG  20          2HH2      ARG  20 -16.560   2.660  -0.254
  119   1HH2  ARG  20          1HH1      ARG  20 -16.097  -0.246   1.571
  120   2HH2  ARG  20          2HH1      ARG  20 -16.999   0.522   0.307
  121    H    PHE  21           H        PHE  21 -11.034   4.219  -1.054
  122    HA   PHE  21           HA       PHE  21  -8.208   5.230  -0.907
  123   1HB   PHE  21          2HB       PHE  21  -9.975   4.518  -3.272
  124   2HB   PHE  21          1HB       PHE  21  -8.441   5.369  -3.431
  125    HD1  PHE  21           1HD      PHE  21  -9.955   2.239  -2.066
  126    HD2  PHE  21           2HD      PHE  21  -6.412   4.179  -3.515
  127    HE1  PHE  21           1HE      PHE  21  -8.752   0.077  -1.995
  128    HE2  PHE  21           2HE      PHE  21  -5.200   2.013  -3.451
  129    HZ   PHE  21           HZ       PHE  21  -6.370  -0.038  -2.693
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1 -13.993  -3.613   1.100
    2   2H    GLY   1          2HT       GLY   1 -13.310  -4.134   2.563
    3   3H    GLY   1          3HT       GLY   1 -14.486  -5.079   1.787
    4   1HA   GLY   1          2HA       GLY   1 -12.323  -6.047   1.426
    5   2HA   GLY   1          1HA       GLY   1 -12.981  -5.430  -0.091
    6    H    CYS   2           H        CYS   2 -10.149  -5.768   0.497
    7    HA   CYS   2           HA       CYS   2  -9.282  -2.898   0.292
    8   1HB   CYS   2          2HB       CYS   2  -8.027  -5.224   1.786
    9   2HB   CYS   2          1HB       CYS   2  -7.233  -3.666   1.551
   10    H    ARG   3           H        ARG   3  -7.294  -2.616  -0.989
   11    HA   ARG   3           HA       ARG   3  -6.877  -4.841  -2.978
   12   1HB   ARG   3          2HB       ARG   3  -7.680  -2.124  -3.237
   13   2HB   ARG   3          1HB       ARG   3  -6.054  -2.245  -3.906
   14   1HG   ARG   3          2HG       ARG   3  -6.845  -4.245  -5.238
   15   2HG   ARG   3          1HG       ARG   3  -8.479  -3.883  -4.684
   16   1HD   ARG   3          2HD       ARG   3  -8.483  -2.680  -6.672
   17   2HD   ARG   3          1HD       ARG   3  -7.824  -1.433  -5.594
   18    HE   ARG   3           HE       ARG   3  -5.657  -3.054  -6.504
   19   1HH1  ARG   3          1HH2      ARG   3  -7.984  -0.752  -7.683
   20   2HH1  ARG   3          2HH2      ARG   3  -6.970  -0.194  -8.965
   21   1HH2  ARG   3          1HH1      ARG   3  -4.330  -2.316  -8.199
   22   2HH2  ARG   3          2HH1      ARG   3  -4.897  -1.072  -9.260
   23    H    PHE   4           H        PHE   4  -4.666  -5.132  -3.729
   24    HA   PHE   4           HA       PHE   4  -2.628  -4.391  -1.715
   25   1HB   PHE   4          2HB       PHE   4  -3.141  -6.674  -3.051
   26   2HB   PHE   4          1HB       PHE   4  -2.028  -5.937  -4.201
   27    HD1  PHE   4           1HD      PHE   4  -2.250  -6.161  -0.453
   28    HD2  PHE   4           2HD      PHE   4   0.167  -6.669  -3.970
   29    HE1  PHE   4           1HE      PHE   4  -0.333  -6.844   0.962
   30    HE2  PHE   4           2HE      PHE   4   2.079  -7.354  -2.555
   31    HZ   PHE   4           HZ       PHE   4   1.835  -7.437  -0.087
   32    H    CYS   5           H        CYS   5  -1.108  -2.794  -2.079
   33    HA   CYS   5           HA       CYS   5  -0.696  -1.833  -4.880
   34   1HB   CYS   5          2HB       CYS   5  -0.864   0.329  -2.890
   35   2HB   CYS   5          1HB       CYS   5  -1.603   0.214  -4.480
   36    H    CYS   6           H        CYS   6   1.361  -0.785  -5.188
   37    HA   CYS   6           HA       CYS   6   3.305  -1.228  -2.942
   38   1HB   CYS   6          2HB       CYS   6   3.926  -0.914  -5.887
   39   2HB   CYS   6          1HB       CYS   6   4.909  -1.686  -4.644
   40    H    ASN   7           H        ASN   7   1.743   1.124  -2.918
   41    HA   ASN   7           HA       ASN   7   3.757   3.190  -2.821
   42   1HB   ASN   7          2HB       ASN   7   3.395   2.848  -5.316
   43   2HB   ASN   7          1HB       ASN   7   1.735   3.395  -5.081
   44   1HD2  ASN   7          1HD2      ASN   7   1.539   5.661  -4.013
   45   2HD2  ASN   7          2HD2      ASN   7   2.728   6.806  -4.411
   46    H    CYS   8           H        CYS   8   2.685   3.467  -0.736
   47    HA   CYS   8           HA       CYS   8   0.108   4.985  -0.940
   48   1HB   CYS   8          2HB       CYS   8  -0.951   3.626   0.623
   49   2HB   CYS   8          1HB       CYS   8   0.060   2.430  -0.178
   50    H    CYS   9           H        CYS   9   2.792   4.033   1.191
   51    HA   CYS   9           HA       CYS   9   2.829   6.779   2.327
   52   1HB   CYS   9          2HB       CYS   9   2.845   4.388   4.135
   53   2HB   CYS   9          1HB       CYS   9   2.179   5.993   4.422
   54    HA   PRO  10           HA       PRO  10   7.178   5.949   2.211
   55   1HB   PRO  10          2HB       PRO  10   8.046   7.782   4.053
   56   2HB   PRO  10          1HB       PRO  10   7.511   8.220   2.418
   57   1HG   PRO  10          2HG       PRO  10   6.038   8.398   5.002
   58   2HG   PRO  10          1HG       PRO  10   6.053   9.519   3.632
   59   1HD   PRO  10          2HD       PRO  10   4.030   7.760   4.108
   60   2HD   PRO  10          1HD       PRO  10   4.457   8.346   2.484
   61    H    ASN  11           H        ASN  11   6.191   3.861   3.500
   62    HA   ASN  11           HA       ASN  11   8.026   3.421   5.763
   63   1HB   ASN  11          2HB       ASN  11   5.345   4.334   6.156
   64   2HB   ASN  11          1HB       ASN  11   5.413   2.651   6.681
   65   1HD2  ASN  11          1HD2      ASN  11   5.962   5.800   7.757
   66   2HD2  ASN  11          2HD2      ASN  11   7.003   5.452   9.049
   67    H    MET  12           H        MET  12   7.562   2.232   3.091
   68    HA   MET  12           HA       MET  12   7.296  -0.596   3.934
   69   1HB   MET  12          2HB       MET  12   5.259   0.987   2.527
   70   2HB   MET  12          1HB       MET  12   5.694  -0.488   1.664
   71   1HG   MET  12          2HG       MET  12   5.245  -1.833   3.654
   72   2HG   MET  12          1HG       MET  12   4.896  -0.378   4.591
   73   1HE   MET  12          1HE       MET  12   3.030   0.804   4.745
   74   2HE   MET  12          2HE       MET  12   1.539   0.738   3.808
   75   3HE   MET  12          3HE       MET  12   2.965   1.511   3.124
   76    H    SER  13           H        SER  13   8.521  -1.944   2.590
   77    HA   SER  13           HA       SER  13   9.957  -0.616   0.318
   78   1HB   SER  13          2HB       SER  13  11.414  -2.831   0.945
   79   2HB   SER  13          1HB       SER  13  11.652  -1.268   1.721
   80    HG   SER  13           HG       SER  13  11.327  -2.588   3.406
   81    H    GLY  14           H        GLY  14   7.341  -1.719  -0.160
   82   1HA   GLY  14          2HA       GLY  14   7.842  -3.392  -2.407
   83   2HA   GLY  14          1HA       GLY  14   7.369  -4.427  -1.059
   84    H    CYS  15           H        CYS  15   5.235  -4.885  -1.111
   85    HA   CYS  15           HA       CYS  15   3.327  -2.739  -1.990
   86   1HB   CYS  15          2HB       CYS  15   3.196  -5.736  -2.456
   87   2HB   CYS  15          1HB       CYS  15   2.049  -4.543  -3.066
   88    H    GLY  16           H        GLY  16   1.451  -2.550  -0.719
   89   1HA   GLY  16          2HA       GLY  16   1.159  -4.485   1.542
   90   2HA   GLY  16          1HA       GLY  16   1.083  -2.748   1.838
   91    H    VAL  17           H        VAL  17  -1.104  -4.007   2.644
   92    HA   VAL  17           HA       VAL  17  -3.111  -4.156   0.477
   93    HB   VAL  17           HB       VAL  17  -3.293  -4.512   3.496
   94   1HG1  VAL  17          1HG1      VAL  17  -5.480  -4.073   2.577
   95   2HG1  VAL  17          2HG1      VAL  17  -5.366  -5.806   2.877
   96   3HG1  VAL  17          3HG1      VAL  17  -5.197  -5.184   1.236
   97   1HG2  VAL  17          1HG2      VAL  17  -3.074  -6.588   1.290
   98   2HG2  VAL  17          2HG2      VAL  17  -3.189  -6.913   3.020
   99   3HG2  VAL  17          3HG2      VAL  17  -1.755  -6.123   2.363
  100    H    CYS  18           H        CYS  18  -4.352  -2.395  -0.069
  101    HA   CYS  18           HA       CYS  18  -4.446  -0.090   1.855
  102   1HB   CYS  18          2HB       CYS  18  -5.137   0.094  -1.065
  103   2HB   CYS  18          1HB       CYS  18  -4.428   1.320  -0.010
  104    H    CYS  19           H        CYS  19  -6.467   0.586   2.548
  105    HA   CYS  19           HA       CYS  19  -8.855  -0.801   1.365
  106   1HB   CYS  19          2HB       CYS  19  -8.380   0.248   4.179
  107   2HB   CYS  19          1HB       CYS  19  -9.794  -0.655   3.636
  108    H    ARG  20           H        ARG  20  -7.351   2.106   1.211
  109    HA   ARG  20           HA       ARG  20  -9.871   3.709   1.422
  110   1HB   ARG  20          2HB       ARG  20  -8.302   4.737   2.819
  111   2HB   ARG  20          1HB       ARG  20  -6.939   4.194   1.844
  112   1HG   ARG  20          2HG       ARG  20  -7.106   6.570   1.542
  113   2HG   ARG  20          1HG       ARG  20  -7.683   5.832   0.048
  114   1HD   ARG  20          2HD       ARG  20  -9.974   6.022   1.683
  115   2HD   ARG  20          1HD       ARG  20  -9.130   7.566   1.895
  116    HE   ARG  20           HE       ARG  20 -10.257   6.528  -0.626
  117   1HH1  ARG  20          1HH2      ARG  20  -8.038   8.744   0.900
  118   2HH1  ARG  20          2HH2      ARG  20  -8.104   9.865  -0.405
  119   1HH2  ARG  20          1HH1      ARG  20 -10.233   7.940  -2.333
  120   2HH2  ARG  20          2HH1      ARG  20  -9.292   9.396  -2.254
  121    H    PHE  21           H        PHE  21 -10.806   4.020  -0.571
  122    HA   PHE  21           HA       PHE  21  -9.057   4.691  -2.882
  123   1HB   PHE  21          2HB       PHE  21 -11.005   2.394  -2.619
  124   2HB   PHE  21          1HB       PHE  21 -10.599   3.064  -4.197
  125    HD1  PHE  21           1HD      PHE  21  -8.073   3.287  -4.779
  126    HD2  PHE  21           2HD      PHE  21  -9.593   0.808  -1.619
  127    HE1  PHE  21           1HE      PHE  21  -5.966   1.974  -4.792
  128    HE2  PHE  21           2HE      PHE  21  -7.489  -0.500  -1.636
  129    HZ   PHE  21           HZ       PHE  21  -5.677   0.076  -3.226
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1 -15.173  -3.304  -0.087
    2   2H    GLY   1          2HT       GLY   1 -14.152  -2.575  -1.230
    3   3H    GLY   1          3HT       GLY   1 -13.961  -2.243   0.427
    4   1HA   GLY   1          2HA       GLY   1 -13.538  -4.724   0.697
    5   2HA   GLY   1          1HA       GLY   1 -13.307  -4.720  -1.049
    6    H    CYS   2           H        CYS   2 -11.044  -5.357  -0.502
    7    HA   CYS   2           HA       CYS   2  -9.373  -2.944   0.146
    8   1HB   CYS   2          2HB       CYS   2  -9.128  -5.833   1.039
    9   2HB   CYS   2          1HB       CYS   2  -7.831  -4.653   1.243
   10    H    ARG   3           H        ARG   3  -7.258  -2.929  -0.926
   11    HA   ARG   3           HA       ARG   3  -7.001  -4.864  -3.198
   12   1HB   ARG   3          2HB       ARG   3  -6.869  -1.840  -3.164
   13   2HB   ARG   3          1HB       ARG   3  -6.218  -2.799  -4.492
   14   1HG   ARG   3          2HG       ARG   3  -8.626  -3.941  -4.391
   15   2HG   ARG   3          1HG       ARG   3  -9.073  -2.388  -3.682
   16   1HD   ARG   3          2HD       ARG   3  -7.446  -2.504  -6.238
   17   2HD   ARG   3          1HD       ARG   3  -9.218  -2.606  -6.267
   18    HE   ARG   3           HE       ARG   3  -8.142  -0.405  -4.621
   19   1HH1  ARG   3          1HH2      ARG   3  -9.359  -1.410  -7.713
   20   2HH1  ARG   3          2HH2      ARG   3  -9.792   0.184  -8.211
   21   1HH2  ARG   3          1HH1      ARG   3  -8.791   1.691  -5.242
   22   2HH2  ARG   3          2HH1      ARG   3  -9.472   1.933  -6.812
   23    H    PHE   4           H        PHE   4  -4.760  -5.148  -3.889
   24    HA   PHE   4           HA       PHE   4  -2.779  -4.732  -1.722
   25   1HB   PHE   4          2HB       PHE   4  -3.304  -6.849  -3.221
   26   2HB   PHE   4          1HB       PHE   4  -2.258  -6.037  -4.387
   27    HD1  PHE   4           1HD      PHE   4  -0.118  -6.929  -4.363
   28    HD2  PHE   4           2HD      PHE   4  -2.166  -6.395  -0.615
   29    HE1  PHE   4           1HE      PHE   4   1.901  -7.698  -3.145
   30    HE2  PHE   4           2HE      PHE   4  -0.138  -7.168   0.597
   31    HZ   PHE   4           HZ       PHE   4   1.888  -7.829  -0.670
   32    H    CYS   5           H        CYS   5  -1.314  -3.047  -1.807
   33    HA   CYS   5           HA       CYS   5  -0.784  -1.815  -4.497
   34   1HB   CYS   5          2HB       CYS   5  -0.819   0.400  -3.162
   35   2HB   CYS   5          1HB       CYS   5  -2.374  -0.366  -3.481
   36    H    CYS   6           H        CYS   6   1.322  -0.860  -4.697
   37    HA   CYS   6           HA       CYS   6   3.249  -1.671  -2.546
   38   1HB   CYS   6          2HB       CYS   6   3.707  -1.302  -5.523
   39   2HB   CYS   6          1HB       CYS   6   4.851  -1.976  -4.360
   40    H    ASN   7           H        ASN   7   1.854   0.850  -2.471
   41    HA   ASN   7           HA       ASN   7   4.074   2.663  -2.123
   42   1HB   ASN   7          2HB       ASN   7   3.684   2.411  -4.700
   43   2HB   ASN   7          1HB       ASN   7   2.260   3.414  -4.420
   44   1HD2  ASN   7          1HD2      ASN   7   2.595   5.668  -4.040
   45   2HD2  ASN   7          2HD2      ASN   7   4.133   6.384  -4.007
   46    H    CYS   8           H        CYS   8   2.386   2.305  -0.185
   47    HA   CYS   8           HA       CYS   8  -0.037   4.011  -0.411
   48   1HB   CYS   8          2HB       CYS   8  -0.705   2.941   1.555
   49   2HB   CYS   8          1HB       CYS   8   0.354   1.710   0.873
   50    H    CYS   9           H        CYS   9   3.008   3.884   1.390
   51    HA   CYS   9           HA       CYS   9   2.782   6.788   1.975
   52   1HB   CYS   9          2HB       CYS   9   3.384   4.835   4.173
   53   2HB   CYS   9          1HB       CYS   9   2.565   6.389   4.266
   54    HA   PRO  10           HA       PRO  10   7.182   6.521   1.544
   55   1HB   PRO  10          2HB       PRO  10   8.049   8.493   3.233
   56   2HB   PRO  10          1HB       PRO  10   7.239   8.827   1.690
   57   1HG   PRO  10          2HG       PRO  10   6.163   8.929   4.454
   58   2HG   PRO  10          1HG       PRO  10   5.785   9.944   3.056
   59   1HD   PRO  10          2HD       PRO  10   4.197   7.888   3.983
   60   2HD   PRO  10          1HD       PRO  10   4.151   8.540   2.331
   61    H    ASN  11           H        ASN  11   6.371   4.442   3.228
   62    HA   ASN  11           HA       ASN  11   8.671   4.253   5.084
   63   1HB   ASN  11          2HB       ASN  11   7.228   3.806   7.014
   64   2HB   ASN  11          1HB       ASN  11   6.820   5.375   6.326
   65   1HD2  ASN  11          1HD2      ASN  11   4.905   3.957   7.892
   66   2HD2  ASN  11          2HD2      ASN  11   3.642   3.449   6.880
   67    H    MET  12           H        MET  12   7.548   2.805   2.610
   68    HA   MET  12           HA       MET  12   7.988   0.076   3.626
   69   1HB   MET  12          2HB       MET  12   5.745  -0.649   2.616
   70   2HB   MET  12          1HB       MET  12   5.651   0.275   4.113
   71   1HG   MET  12          2HG       MET  12   4.722   2.103   3.086
   72   2HG   MET  12          1HG       MET  12   5.625   1.857   1.591
   73   1HE   MET  12          1HE       MET  12   5.116   0.525  -0.235
   74   2HE   MET  12          2HE       MET  12   3.724  -0.523  -0.510
   75   3HE   MET  12          3HE       MET  12   5.019  -1.050   0.560
   76    H    SER  13           H        SER  13   9.537  -0.496   2.135
   77    HA   SER  13           HA       SER  13   9.184   0.300  -0.708
   78   1HB   SER  13          2HB       SER  13  11.450  -1.082   0.778
   79   2HB   SER  13          1HB       SER  13  11.525  -0.489  -0.882
   80    HG   SER  13           HG       SER  13  12.339   0.942   0.875
   81    H    GLY  14           H        GLY  14   7.207  -1.310  -0.495
   82   1HA   GLY  14          2HA       GLY  14   7.886  -3.692  -1.976
   83   2HA   GLY  14          1HA       GLY  14   7.465  -4.092  -0.309
   84    H    CYS  15           H        CYS  15   5.398  -4.871  -0.377
   85    HA   CYS  15           HA       CYS  15   3.301  -3.124  -1.613
   86   1HB   CYS  15          2HB       CYS  15   3.625  -6.126  -1.938
   87   2HB   CYS  15          1HB       CYS  15   2.270  -5.182  -2.557
   88    H    GLY  16           H        GLY  16   1.226  -3.326  -0.589
   89   1HA   GLY  16          2HA       GLY  16   0.956  -5.156   1.711
   90   2HA   GLY  16          1HA       GLY  16   0.975  -3.438   2.102
   91    H    VAL  17           H        VAL  17  -1.291  -4.837   2.718
   92    HA   VAL  17           HA       VAL  17  -3.254  -4.573   0.525
   93    HB   VAL  17           HB       VAL  17  -3.437  -5.401   3.448
   94   1HG1  VAL  17          1HG1      VAL  17  -5.664  -6.336   2.762
   95   2HG1  VAL  17          2HG1      VAL  17  -5.494  -5.492   1.221
   96   3HG1  VAL  17          3HG1      VAL  17  -5.604  -4.577   2.726
   97   1HG2  VAL  17          1HG2      VAL  17  -2.126  -6.863   1.814
   98   2HG2  VAL  17          2HG2      VAL  17  -3.646  -7.112   0.953
   99   3HG2  VAL  17          3HG2      VAL  17  -3.472  -7.655   2.623
  100    H    CYS  18           H        CYS  18  -4.510  -2.784   0.238
  101    HA   CYS  18           HA       CYS  18  -4.741  -0.835   2.509
  102   1HB   CYS  18          2HB       CYS  18  -4.828   0.836   0.436
  103   2HB   CYS  18          1HB       CYS  18  -3.284   0.297   1.084
  104    H    CYS  19           H        CYS  19  -6.826  -0.107   2.877
  105    HA   CYS  19           HA       CYS  19  -8.941  -1.045   0.957
  106   1HB   CYS  19          2HB       CYS  19  -9.164  -0.540   3.944
  107   2HB   CYS  19          1HB       CYS  19 -10.340  -1.358   2.911
  108    H    ARG  20           H        ARG  20  -7.398   1.727   1.497
  109    HA   ARG  20           HA       ARG  20  -9.884   3.393   1.680
  110   1HB   ARG  20          2HB       ARG  20  -8.328   5.203   2.389
  111   2HB   ARG  20          1HB       ARG  20  -8.234   3.788   3.444
  112   1HG   ARG  20          2HG       ARG  20  -6.346   3.237   1.454
  113   2HG   ARG  20          1HG       ARG  20  -6.166   4.971   1.749
  114   1HD   ARG  20          2HD       ARG  20  -6.343   4.005   4.344
  115   2HD   ARG  20          1HD       ARG  20  -5.479   2.694   3.508
  116    HE   ARG  20           HE       ARG  20  -4.251   5.010   2.579
  117   1HH1  ARG  20          1HH2      ARG  20  -4.919   3.584   5.694
  118   2HH1  ARG  20          2HH2      ARG  20  -3.501   4.249   6.423
  119   1HH2  ARG  20          1HH1      ARG  20  -2.445   5.924   3.623
  120   2HH2  ARG  20          2HH1      ARG  20  -2.158   5.570   5.292
  121    H    PHE  21           H        PHE  21 -10.560   4.133  -0.269
  122    HA   PHE  21           HA       PHE  21  -8.561   5.109  -2.254
  123   1HB   PHE  21          2HB       PHE  21 -10.684   2.995  -2.705
  124   2HB   PHE  21          1HB       PHE  21  -9.808   3.790  -4.009
  125    HD1  PHE  21           1HD      PHE  21  -9.776   1.064  -1.704
  126    HD2  PHE  21           2HD      PHE  21  -7.217   3.742  -3.876
  127    HE1  PHE  21           1HE      PHE  21  -7.892  -0.508  -1.427
  128    HE2  PHE  21           2HE      PHE  21  -5.328   2.167  -3.604
  129    HZ   PHE  21           HZ       PHE  21  -5.662   0.026  -2.382
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1 -14.423  -2.626   0.104
    2   2H    GLY   1          2HT       GLY   1 -15.588  -3.666  -0.566
    3   3H    GLY   1          3HT       GLY   1 -14.556  -2.784  -1.577
    4   1HA   GLY   1          2HA       GLY   1 -13.930  -5.117   0.118
    5   2HA   GLY   1          1HA       GLY   1 -13.632  -4.901  -1.609
    6    H    CYS   2           H        CYS   2 -11.372  -5.538  -0.950
    7    HA   CYS   2           HA       CYS   2  -9.821  -3.106  -0.145
    8   1HB   CYS   2          2HB       CYS   2  -9.722  -5.935   0.908
    9   2HB   CYS   2          1HB       CYS   2  -8.313  -4.880   1.040
   10    H    ARG   3           H        ARG   3  -7.571  -3.158  -1.003
   11    HA   ARG   3           HA       ARG   3  -7.126  -5.157  -3.191
   12   1HB   ARG   3          2HB       ARG   3  -8.074  -2.580  -3.580
   13   2HB   ARG   3          1HB       ARG   3  -6.341  -2.393  -3.849
   14   1HG   ARG   3          2HG       ARG   3  -6.669  -4.608  -5.259
   15   2HG   ARG   3          1HG       ARG   3  -8.338  -4.047  -5.350
   16   1HD   ARG   3          2HD       ARG   3  -6.086  -2.132  -5.944
   17   2HD   ARG   3          1HD       ARG   3  -6.659  -3.244  -7.201
   18    HE   ARG   3           HE       ARG   3  -8.232  -1.048  -5.974
   19   1HH1  ARG   3          1HH2      ARG   3  -8.176  -3.947  -7.941
   20   2HH1  ARG   3          2HH2      ARG   3  -9.596  -3.501  -8.826
   21   1HH2  ARG   3          1HH1      ARG   3 -10.096  -0.526  -7.123
   22   2HH2  ARG   3          2HH1      ARG   3 -10.670  -1.587  -8.365
   23    H    PHE   4           H        PHE   4  -4.849  -5.367  -3.770
   24    HA   PHE   4           HA       PHE   4  -3.007  -4.791  -1.541
   25   1HB   PHE   4          2HB       PHE   4  -3.337  -6.858  -3.281
   26   2HB   PHE   4          1HB       PHE   4  -2.102  -5.942  -4.143
   27    HD1  PHE   4           1HD      PHE   4   0.034  -6.781  -3.774
   28    HD2  PHE   4           2HD      PHE   4  -2.764  -6.699  -0.511
   29    HE1  PHE   4           1HE      PHE   4   1.771  -7.691  -2.256
   30    HE2  PHE   4           2HE      PHE   4  -1.028  -7.603   1.002
   31    HZ   PHE   4           HZ       PHE   4   1.244  -8.097   0.136
   32    H    CYS   5           H        CYS   5  -1.356  -3.245  -1.611
   33    HA   CYS   5           HA       CYS   5  -0.996  -1.720  -4.180
   34   1HB   CYS   5          2HB       CYS   5  -0.919   0.338  -2.670
   35   2HB   CYS   5          1HB       CYS   5  -2.501  -0.430  -2.807
   36    H    CYS   6           H        CYS   6   1.131  -0.819  -4.444
   37    HA   CYS   6           HA       CYS   6   3.154  -1.729  -2.419
   38   1HB   CYS   6          2HB       CYS   6   3.392  -1.588  -5.442
   39   2HB   CYS   6          1HB       CYS   6   4.622  -2.190  -4.332
   40    H    ASN   7           H        ASN   7   1.949   0.815  -2.304
   41    HA   ASN   7           HA       ASN   7   4.199   2.573  -2.217
   42   1HB   ASN   7          2HB       ASN   7   3.295   2.127  -4.814
   43   2HB   ASN   7          1HB       ASN   7   2.510   3.642  -4.374
   44   1HD2  ASN   7          1HD2      ASN   7   4.301   4.110  -6.275
   45   2HD2  ASN   7          2HD2      ASN   7   5.777   4.699  -5.680
   46    H    CYS   8           H        CYS   8   3.293   3.341  -0.282
   47    HA   CYS   8           HA       CYS   8   0.708   4.859  -0.532
   48   1HB   CYS   8          2HB       CYS   8  -0.120   3.848   1.403
   49   2HB   CYS   8          1HB       CYS   8   0.797   2.511   0.712
   50    H    CYS   9           H        CYS   9   3.679   4.375   1.341
   51    HA   CYS   9           HA       CYS   9   3.755   7.274   1.981
   52   1HB   CYS   9          2HB       CYS   9   4.086   5.227   4.154
   53   2HB   CYS   9          1HB       CYS   9   3.426   6.857   4.257
   54    HA   PRO  10           HA       PRO  10   8.114   6.582   1.592
   55   1HB   PRO  10          2HB       PRO  10   9.132   8.367   3.410
   56   2HB   PRO  10          1HB       PRO  10   8.437   8.855   1.851
   57   1HG   PRO  10          2HG       PRO  10   7.214   8.902   4.567
   58   2HG   PRO  10          1HG       PRO  10   7.093  10.085   3.255
   59   1HD   PRO  10          2HD       PRO  10   5.128   8.298   3.820
   60   2HD   PRO  10          1HD       PRO  10   5.424   8.927   2.183
   61    H    ASN  11           H        ASN  11   7.295   4.444   2.861
   62    HA   ASN  11           HA       ASN  11   9.319   3.917   4.929
   63   1HB   ASN  11          2HB       ASN  11   7.563   4.973   6.247
   64   2HB   ASN  11          1HB       ASN  11   6.337   3.941   5.511
   65   1HD2  ASN  11          1HD2      ASN  11   9.050   3.960   7.810
   66   2HD2  ASN  11          2HD2      ASN  11   8.682   2.458   8.505
   67    H    MET  12           H        MET  12   6.249   2.661   3.543
   68    HA   MET  12           HA       MET  12   7.237  -0.109   3.659
   69   1HB   MET  12          2HB       MET  12   4.701   1.322   2.865
   70   2HB   MET  12          1HB       MET  12   4.918  -0.379   2.460
   71   1HG   MET  12          2HG       MET  12   5.514  -0.730   4.936
   72   2HG   MET  12          1HG       MET  12   4.863   0.887   5.205
   73   1HE   MET  12          1HE       MET  12   3.455  -1.940   6.574
   74   2HE   MET  12          2HE       MET  12   4.478  -2.526   5.263
   75   3HE   MET  12          3HE       MET  12   2.760  -2.918   5.274
   76    H    SER  13           H        SER  13   9.092   0.266   2.128
   77    HA   SER  13           HA       SER  13   8.476   0.940  -0.665
   78   1HB   SER  13          2HB       SER  13  10.788   0.532   1.067
   79   2HB   SER  13          1HB       SER  13  11.011  -0.261  -0.490
   80    HG   SER  13           HG       SER  13  11.472   2.182  -0.105
   81    H    GLY  14           H        GLY  14   6.777  -1.095  -0.079
   82   1HA   GLY  14          2HA       GLY  14   7.740  -3.262  -1.823
   83   2HA   GLY  14          1HA       GLY  14   7.364  -3.752  -0.169
   84    H    CYS  15           H        CYS  15   5.369  -4.715  -0.185
   85    HA   CYS  15           HA       CYS  15   3.140  -3.264  -1.571
   86   1HB   CYS  15          2HB       CYS  15   3.864  -6.211  -1.615
   87   2HB   CYS  15          1HB       CYS  15   2.323  -5.584  -2.200
   88    H    GLY  16           H        GLY  16   1.111  -3.432  -0.494
   89   1HA   GLY  16          2HA       GLY  16   0.914  -5.097   1.937
   90   2HA   GLY  16          1HA       GLY  16   0.843  -3.353   2.191
   91    H    VAL  17           H        VAL  17  -1.373  -4.605   2.969
   92    HA   VAL  17           HA       VAL  17  -3.338  -4.846   0.789
   93    HB   VAL  17           HB       VAL  17  -3.645  -4.910   3.814
   94   1HG1  VAL  17          1HG1      VAL  17  -5.821  -5.463   3.491
   95   2HG1  VAL  17          2HG1      VAL  17  -5.444  -6.506   2.121
   96   3HG1  VAL  17          3HG1      VAL  17  -5.614  -4.768   1.883
   97   1HG2  VAL  17          1HG2      VAL  17  -3.062  -7.139   3.804
   98   2HG2  VAL  17          2HG2      VAL  17  -2.095  -6.632   2.421
   99   3HG2  VAL  17          3HG2      VAL  17  -3.664  -7.395   2.166
  100    H    CYS  18           H        CYS  18  -4.606  -3.153   0.094
  101    HA   CYS  18           HA       CYS  18  -4.684  -0.671   1.785
  102   1HB   CYS  18          2HB       CYS  18  -4.327  -1.265  -1.113
  103   2HB   CYS  18          1HB       CYS  18  -5.296   0.157  -0.723
  104    H    CYS  19           H        CYS  19  -6.710  -0.326   2.652
  105    HA   CYS  19           HA       CYS  19  -9.074  -1.437   1.173
  106   1HB   CYS  19          2HB       CYS  19  -8.520  -0.904   4.102
  107   2HB   CYS  19          1HB       CYS  19 -10.120  -1.326   3.494
  108    H    ARG  20           H        ARG  20  -7.491   1.463   1.687
  109    HA   ARG  20           HA       ARG  20 -10.028   3.050   1.744
  110   1HB   ARG  20          2HB       ARG  20  -8.771   3.908   3.488
  111   2HB   ARG  20          1HB       ARG  20  -7.251   3.364   2.785
  112   1HG   ARG  20          2HG       ARG  20  -6.863   5.422   1.967
  113   2HG   ARG  20          1HG       ARG  20  -8.374   5.365   1.064
  114   1HD   ARG  20          2HD       ARG  20  -8.774   7.205   2.439
  115   2HD   ARG  20          1HD       ARG  20  -9.437   5.908   3.444
  116    HE   ARG  20           HE       ARG  20  -7.556   6.107   4.887
  117   1HH1  ARG  20          1HH2      ARG  20  -7.079   7.888   1.910
  118   2HH1  ARG  20          2HH2      ARG  20  -5.759   8.800   2.532
  119   1HH2  ARG  20          1HH1      ARG  20  -5.808   7.304   5.668
  120   2HH2  ARG  20          2HH1      ARG  20  -5.038   8.472   4.654
  121    H    PHE  21           H        PHE  21 -10.530   4.211  -0.122
  122    HA   PHE  21           HA       PHE  21  -8.396   4.767  -2.117
  123   1HB   PHE  21          2HB       PHE  21 -10.870   3.060  -2.495
  124   2HB   PHE  21          1HB       PHE  21 -10.050   3.802  -3.865
  125    HD1  PHE  21           1HD      PHE  21 -10.086   1.006  -1.623
  126    HD2  PHE  21           2HD      PHE  21  -7.488   3.378  -4.080
  127    HE1  PHE  21           1HE      PHE  21  -8.398  -0.812  -1.597
  128    HE2  PHE  21           2HE      PHE  21  -5.804   1.566  -4.057
  129    HZ   PHE  21           HZ       PHE  21  -6.252  -0.535  -2.819
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1 -13.066  -2.110  -1.737
    2   2H    GLY   1          2HT       GLY   1 -14.518  -2.974  -1.736
    3   3H    GLY   1          3HT       GLY   1 -13.269  -3.407  -2.810
    4   1HA   GLY   1          2HA       GLY   1 -13.566  -3.975   0.047
    5   2HA   GLY   1          1HA       GLY   1 -12.906  -4.984  -1.240
    6    H    CYS   2           H        CYS   2 -10.835  -5.423  -0.428
    7    HA   CYS   2           HA       CYS   2  -9.124  -3.038   0.187
    8   1HB   CYS   2          2HB       CYS   2  -9.208  -5.861   1.255
    9   2HB   CYS   2          1HB       CYS   2  -7.797  -4.832   1.498
   10    H    ARG   3           H        ARG   3  -7.325  -2.783  -1.115
   11    HA   ARG   3           HA       ARG   3  -6.684  -5.030  -3.002
   12   1HB   ARG   3          2HB       ARG   3  -7.718  -2.642  -3.644
   13   2HB   ARG   3          1HB       ARG   3  -6.021  -2.173  -3.579
   14   1HG   ARG   3          2HG       ARG   3  -5.419  -3.599  -5.333
   15   2HG   ARG   3          1HG       ARG   3  -6.820  -4.643  -5.092
   16   1HD   ARG   3          2HD       ARG   3  -7.789  -3.495  -6.813
   17   2HD   ARG   3          1HD       ARG   3  -7.955  -2.147  -5.670
   18    HE   ARG   3           HE       ARG   3  -5.293  -2.072  -6.633
   19   1HH1  ARG   3          1HH2      ARG   3  -8.526  -1.794  -7.836
   20   2HH1  ARG   3          2HH2      ARG   3  -8.095  -0.716  -9.114
   21   1HH2  ARG   3          1HH1      ARG   3  -4.716  -0.694  -8.320
   22   2HH2  ARG   3          2HH1      ARG   3  -5.930  -0.094  -9.396
   23    H    PHE   4           H        PHE   4  -4.429  -5.298  -3.544
   24    HA   PHE   4           HA       PHE   4  -2.571  -4.478  -1.377
   25   1HB   PHE   4          2HB       PHE   4  -3.011  -6.825  -2.654
   26   2HB   PHE   4          1HB       PHE   4  -1.774  -6.161  -3.719
   27    HD1  PHE   4           1HD      PHE   4   0.254  -7.226  -3.246
   28    HD2  PHE   4           2HD      PHE   4  -2.253  -5.950  -0.000
   29    HE1  PHE   4           1HE      PHE   4   2.008  -7.905  -1.625
   30    HE2  PHE   4           2HE      PHE   4  -0.500  -6.624   1.616
   31    HZ   PHE   4           HZ       PHE   4   1.626  -7.604   0.804
   32    H    CYS   5           H        CYS   5  -1.148  -2.778  -1.719
   33    HA   CYS   5           HA       CYS   5  -0.587  -1.986  -4.565
   34   1HB   CYS   5          2HB       CYS   5  -0.730   0.128  -2.479
   35   2HB   CYS   5          1HB       CYS   5  -1.291   0.165  -4.148
   36    H    CYS   6           H        CYS   6   1.514  -1.072  -4.920
   37    HA   CYS   6           HA       CYS   6   3.482  -1.577  -2.716
   38   1HB   CYS   6          2HB       CYS   6   3.466  -1.709  -5.701
   39   2HB   CYS   6          1HB       CYS   6   4.983  -1.257  -4.926
   40    H    ASN   7           H        ASN   7   1.841   0.891  -2.836
   41    HA   ASN   7           HA       ASN   7   3.941   2.867  -2.514
   42   1HB   ASN   7          2HB       ASN   7   3.621   2.447  -5.072
   43   2HB   ASN   7          1HB       ASN   7   2.118   3.343  -4.877
   44   1HD2  ASN   7          1HD2      ASN   7   2.346   5.613  -3.939
   45   2HD2  ASN   7          2HD2      ASN   7   3.786   6.463  -4.230
   46    H    CYS   8           H        CYS   8   2.160   2.401  -0.627
   47    HA   CYS   8           HA       CYS   8  -0.261   4.110  -0.974
   48   1HB   CYS   8          2HB       CYS   8  -1.073   2.972   0.921
   49   2HB   CYS   8          1HB       CYS   8  -0.038   1.745   0.195
   50    H    CYS   9           H        CYS   9   2.654   3.861   0.996
   51    HA   CYS   9           HA       CYS   9   2.386   6.709   1.792
   52   1HB   CYS   9          2HB       CYS   9   2.921   4.575   3.843
   53   2HB   CYS   9          1HB       CYS   9   2.089   6.115   4.030
   54    HA   PRO  10           HA       PRO  10   6.789   6.479   1.361
   55   1HB   PRO  10          2HB       PRO  10   7.589   8.466   3.072
   56   2HB   PRO  10          1HB       PRO  10   6.826   8.785   1.501
   57   1HG   PRO  10          2HG       PRO  10   5.638   8.853   4.229
   58   2HG   PRO  10          1HG       PRO  10   5.339   9.909   2.840
   59   1HD   PRO  10          2HD       PRO  10   3.663   7.892   3.603
   60   2HD   PRO  10          1HD       PRO  10   3.787   8.502   1.938
   61    H    ASN  11           H        ASN  11   6.041   4.357   2.924
   62    HA   ASN  11           HA       ASN  11   8.264   4.156   4.837
   63   1HB   ASN  11          2HB       ASN  11   5.861   5.191   5.736
   64   2HB   ASN  11          1HB       ASN  11   5.696   3.478   6.123
   65   1HD2  ASN  11          1HD2      ASN  11   6.860   6.359   7.373
   66   2HD2  ASN  11          2HD2      ASN  11   7.993   5.729   8.468
   67    H    MET  12           H        MET  12   7.578   2.692   2.420
   68    HA   MET  12           HA       MET  12   7.307  -0.033   3.602
   69   1HB   MET  12          2HB       MET  12   5.072   1.077   2.785
   70   2HB   MET  12          1HB       MET  12   5.697   0.739   1.170
   71   1HG   MET  12          2HG       MET  12   5.548  -1.549   1.436
   72   2HG   MET  12          1HG       MET  12   5.784  -1.467   3.184
   73   1HE   MET  12          1HE       MET  12   3.447  -3.459   2.850
   74   2HE   MET  12          2HE       MET  12   2.559  -2.647   4.138
   75   3HE   MET  12          3HE       MET  12   4.322  -2.679   4.170
   76    H    SER  13           H        SER  13   8.483  -1.571   2.441
   77    HA   SER  13           HA       SER  13   9.971  -0.581   0.025
   78   1HB   SER  13          2HB       SER  13  10.634  -2.317   2.388
   79   2HB   SER  13          1HB       SER  13  11.474  -2.618   0.870
   80    HG   SER  13           HG       SER  13  11.242   0.002   1.920
   81    H    GLY  14           H        GLY  14   7.297  -1.758  -0.117
   82   1HA   GLY  14          2HA       GLY  14   7.659  -3.678  -2.192
   83   2HA   GLY  14          1HA       GLY  14   7.283  -4.535  -0.696
   84    H    CYS  15           H        CYS  15   5.155  -5.067  -0.748
   85    HA   CYS  15           HA       CYS  15   3.217  -2.963  -1.649
   86   1HB   CYS  15          2HB       CYS  15   3.621  -5.777  -2.319
   87   2HB   CYS  15          1HB       CYS  15   1.963  -5.435  -1.826
   88    H    GLY  16           H        GLY  16   1.275  -2.771  -0.432
   89   1HA   GLY  16          2HA       GLY  16   1.137  -4.305   2.127
   90   2HA   GLY  16          1HA       GLY  16   1.004  -2.544   2.149
   91    H    VAL  17           H        VAL  17  -1.103  -4.149   3.100
   92    HA   VAL  17           HA       VAL  17  -3.117  -4.460   0.986
   93    HB   VAL  17           HB       VAL  17  -3.334  -4.525   4.015
   94   1HG1  VAL  17          1HG1      VAL  17  -5.151  -5.539   1.803
   95   2HG1  VAL  17          2HG1      VAL  17  -5.512  -4.288   2.990
   96   3HG1  VAL  17          3HG1      VAL  17  -5.328  -5.956   3.513
   97   1HG2  VAL  17          1HG2      VAL  17  -3.314  -7.066   3.529
   98   2HG2  VAL  17          2HG2      VAL  17  -1.766  -6.227   3.406
   99   3HG2  VAL  17          3HG2      VAL  17  -2.677  -6.641   1.952
  100    H    CYS  18           H        CYS  18  -4.400  -2.815   0.255
  101    HA   CYS  18           HA       CYS  18  -4.607  -0.340   1.944
  102   1HB   CYS  18          2HB       CYS  18  -5.207  -0.461  -1.000
  103   2HB   CYS  18          1HB       CYS  18  -4.602   0.889  -0.048
  104    H    CYS  19           H        CYS  19  -6.591  -0.021   2.824
  105    HA   CYS  19           HA       CYS  19  -8.970  -1.228   1.435
  106   1HB   CYS  19          2HB       CYS  19  -8.396  -0.658   4.366
  107   2HB   CYS  19          1HB       CYS  19  -9.945  -1.243   3.755
  108    H    ARG  20           H        ARG  20  -7.452   1.694   2.186
  109    HA   ARG  20           HA       ARG  20 -10.009   3.227   2.177
  110   1HB   ARG  20          2HB       ARG  20  -7.222   4.125   2.948
  111   2HB   ARG  20          1HB       ARG  20  -8.740   4.944   3.315
  112   1HG   ARG  20          2HG       ARG  20  -9.149   3.602   5.131
  113   2HG   ARG  20          1HG       ARG  20  -8.619   2.151   4.267
  114   1HD   ARG  20          2HD       ARG  20  -6.895   2.303   5.810
  115   2HD   ARG  20          1HD       ARG  20  -6.208   3.376   4.568
  116    HE   ARG  20           HE       ARG  20  -7.752   5.131   5.925
  117   1HH1  ARG  20          1HH2      ARG  20  -5.591   2.625   7.066
  118   2HH1  ARG  20          2HH2      ARG  20  -5.142   3.482   8.508
  119   1HH2  ARG  20          1HH1      ARG  20  -7.224   6.190   7.910
  120   2HH2  ARG  20          2HH1      ARG  20  -6.084   5.461   8.995
  121    H    PHE  21           H        PHE  21 -10.478   4.127   0.198
  122    HA   PHE  21           HA       PHE  21  -8.214   5.136  -1.488
  123   1HB   PHE  21          2HB       PHE  21 -10.440   3.218  -2.189
  124   2HB   PHE  21          1HB       PHE  21  -9.666   4.190  -3.435
  125    HD1  PHE  21           1HD      PHE  21  -9.112   1.550  -0.890
  126    HD2  PHE  21           2HD      PHE  21  -7.412   3.732  -4.163
  127    HE1  PHE  21           1HE      PHE  21  -7.259  -0.053  -0.989
  128    HE2  PHE  21           2HE      PHE  21  -5.527   2.122  -4.278
  129    HZ   PHE  21           HZ       PHE  21  -5.441   0.218  -2.678
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1 -14.824  -4.412   0.333
    2   2H    GLY   1          2HT       GLY   1 -15.300  -4.679  -1.274
    3   3H    GLY   1          3HT       GLY   1 -14.322  -3.346  -0.887
    4   1HA   GLY   1          2HA       GLY   1 -13.344  -6.038  -0.241
    5   2HA   GLY   1          1HA       GLY   1 -13.284  -5.495  -1.918
    6    H    CYS   2           H        CYS   2 -10.847  -5.859  -1.018
    7    HA   CYS   2           HA       CYS   2  -9.843  -3.122  -0.282
    8   1HB   CYS   2          2HB       CYS   2  -9.135  -5.865   0.780
    9   2HB   CYS   2          1HB       CYS   2  -8.033  -4.501   0.958
   10    H    ARG   3           H        ARG   3  -7.595  -2.741  -1.069
   11    HA   ARG   3           HA       ARG   3  -6.880  -4.491  -3.407
   12   1HB   ARG   3          2HB       ARG   3  -8.013  -2.210  -3.809
   13   2HB   ARG   3          1HB       ARG   3  -6.512  -1.495  -3.226
   14   1HG   ARG   3          2HG       ARG   3  -5.589  -1.763  -5.262
   15   2HG   ARG   3          1HG       ARG   3  -5.825  -3.506  -5.136
   16   1HD   ARG   3          2HD       ARG   3  -6.963  -2.637  -7.151
   17   2HD   ARG   3          1HD       ARG   3  -8.166  -3.221  -5.984
   18    HE   ARG   3           HE       ARG   3  -7.818  -0.558  -5.281
   19   1HH1  ARG   3          1HH2      ARG   3  -8.610  -2.263  -8.210
   20   2HH1  ARG   3          2HH2      ARG   3  -9.554  -0.966  -8.854
   21   1HH2  ARG   3          1HH1      ARG   3  -9.060   1.130  -6.132
   22   2HH2  ARG   3          2HH1      ARG   3  -9.813   0.948  -7.679
   23    H    PHE   4           H        PHE   4  -4.631  -4.762  -3.761
   24    HA   PHE   4           HA       PHE   4  -2.885  -4.165  -1.428
   25   1HB   PHE   4          2HB       PHE   4  -3.248  -6.418  -2.778
   26   2HB   PHE   4          1HB       PHE   4  -2.106  -5.696  -3.905
   27    HD1  PHE   4           1HD      PHE   4  -0.066  -6.799  -3.620
   28    HD2  PHE   4           2HD      PHE   4  -2.285  -5.550  -0.160
   29    HE1  PHE   4           1HE      PHE   4   1.805  -7.518  -2.161
   30    HE2  PHE   4           2HE      PHE   4  -0.413  -6.265   1.299
   31    HZ   PHE   4           HZ       PHE   4   1.631  -7.251   0.300
   32    H    CYS   5           H        CYS   5  -1.438  -2.443  -1.546
   33    HA   CYS   5           HA       CYS   5  -0.779  -1.385  -4.287
   34   1HB   CYS   5          2HB       CYS   5  -0.824   0.395  -1.885
   35   2HB   CYS   5          1HB       CYS   5  -1.259   0.761  -3.551
   36    H    CYS   6           H        CYS   6   1.374  -0.554  -4.546
   37    HA   CYS   6           HA       CYS   6   3.291  -1.272  -2.350
   38   1HB   CYS   6          2HB       CYS   6   3.835  -1.192  -5.330
   39   2HB   CYS   6          1HB       CYS   6   4.814  -1.959  -4.077
   40    H    ASN   7           H        ASN   7   2.064   1.276  -2.399
   41    HA   ASN   7           HA       ASN   7   4.357   3.038  -2.441
   42   1HB   ASN   7          2HB       ASN   7   3.204   2.514  -4.933
   43   2HB   ASN   7          1HB       ASN   7   2.513   4.067  -4.471
   44   1HD2  ASN   7          1HD2      ASN   7   5.152   2.750  -6.038
   45   2HD2  ASN   7          2HD2      ASN   7   6.264   4.007  -5.794
   46    H    CYS   8           H        CYS   8   2.840   2.854  -0.320
   47    HA   CYS   8           HA       CYS   8   0.583   4.819  -0.451
   48   1HB   CYS   8          2HB       CYS   8  -0.188   3.780   1.501
   49   2HB   CYS   8          1HB       CYS   8   0.635   2.435   0.716
   50    H    CYS   9           H        CYS   9   3.619   4.171   1.245
   51    HA   CYS   9           HA       CYS   9   3.832   7.040   1.987
   52   1HB   CYS   9          2HB       CYS   9   4.207   4.906   4.068
   53   2HB   CYS   9          1HB       CYS   9   3.610   6.551   4.263
   54    HA   PRO  10           HA       PRO  10   8.096   6.090   1.259
   55   1HB   PRO  10          2HB       PRO  10   9.326   7.999   2.792
   56   2HB   PRO  10          1HB       PRO  10   8.511   8.360   1.259
   57   1HG   PRO  10          2HG       PRO  10   7.563   8.767   4.044
   58   2HG   PRO  10          1HG       PRO  10   7.314   9.769   2.607
   59   1HD   PRO  10          2HD       PRO  10   5.424   8.073   3.644
   60   2HD   PRO  10          1HD       PRO  10   5.483   8.586   1.941
   61    H    ASN  11           H        ASN  11   7.142   4.203   2.960
   62    HA   ASN  11           HA       ASN  11   9.408   3.704   4.772
   63   1HB   ASN  11          2HB       ASN  11   7.626   5.207   5.914
   64   2HB   ASN  11          1HB       ASN  11   6.614   3.765   5.926
   65   1HD2  ASN  11          1HD2      ASN  11   9.697   5.087   7.152
   66   2HD2  ASN  11          2HD2      ASN  11   9.860   3.961   8.410
   67    H    MET  12           H        MET  12   8.254   2.352   2.405
   68    HA   MET  12           HA       MET  12   7.841  -0.323   3.615
   69   1HB   MET  12          2HB       MET  12   5.634   1.032   3.338
   70   2HB   MET  12          1HB       MET  12   5.849   0.747   1.610
   71   1HG   MET  12          2HG       MET  12   5.912  -1.683   2.002
   72   2HG   MET  12          1HG       MET  12   5.736  -1.418   3.738
   73   1HE   MET  12          1HE       MET  12   4.103  -2.400   4.446
   74   2HE   MET  12          2HE       MET  12   3.189  -3.234   3.190
   75   3HE   MET  12          3HE       MET  12   2.382  -2.073   4.244
   76    H    SER  13           H        SER  13   9.523  -1.301   2.511
   77    HA   SER  13           HA       SER  13  10.019  -0.704  -0.348
   78   1HB   SER  13          2HB       SER  13  11.826  -2.547   0.198
   79   2HB   SER  13          1HB       SER  13  11.999  -0.942   0.902
   80    HG   SER  13           HG       SER  13  11.162  -3.360   2.075
   81    H    GLY  14           H        GLY  14   7.515  -1.737  -0.269
   82   1HA   GLY  14          2HA       GLY  14   7.670  -4.096  -1.874
   83   2HA   GLY  14          1HA       GLY  14   7.215  -4.557  -0.231
   84    H    CYS  15           H        CYS  15   5.028  -4.795  -0.096
   85    HA   CYS  15           HA       CYS  15   3.300  -2.687  -1.338
   86   1HB   CYS  15          2HB       CYS  15   2.952  -5.694  -1.508
   87   2HB   CYS  15          1HB       CYS  15   1.832  -4.498  -2.158
   88    H    GLY  16           H        GLY  16   1.258  -2.398  -0.260
   89   1HA   GLY  16          2HA       GLY  16   0.965  -3.862   2.337
   90   2HA   GLY  16          1HA       GLY  16   0.771  -2.110   2.256
   91    H    VAL  17           H        VAL  17  -1.322  -3.763   3.153
   92    HA   VAL  17           HA       VAL  17  -3.203  -4.145   0.908
   93    HB   VAL  17           HB       VAL  17  -3.544  -4.435   3.918
   94   1HG1  VAL  17          1HG1      VAL  17  -5.698  -4.343   2.840
   95   2HG1  VAL  17          2HG1      VAL  17  -5.365  -6.039   3.187
   96   3HG1  VAL  17          3HG1      VAL  17  -5.160  -5.420   1.549
   97   1HG2  VAL  17          1HG2      VAL  17  -1.755  -5.899   3.187
   98   2HG2  VAL  17          2HG2      VAL  17  -2.692  -6.427   1.791
   99   3HG2  VAL  17          3HG2      VAL  17  -3.195  -6.891   3.417
  100    H    CYS  18           H        CYS  18  -4.604  -2.541   0.257
  101    HA   CYS  18           HA       CYS  18  -5.087  -0.234   2.134
  102   1HB   CYS  18          2HB       CYS  18  -5.483  -0.166  -0.853
  103   2HB   CYS  18          1HB       CYS  18  -5.099   1.159   0.237
  104    H    CYS  19           H        CYS  19  -7.246   0.080   2.743
  105    HA   CYS  19           HA       CYS  19  -9.319  -1.454   1.208
  106   1HB   CYS  19          2HB       CYS  19  -8.992  -0.861   4.155
  107   2HB   CYS  19          1HB       CYS  19 -10.493  -1.489   3.469
  108    H    ARG  20           H        ARG  20  -8.268   1.674   1.660
  109    HA   ARG  20           HA       ARG  20 -11.057   2.763   1.664
  110   1HB   ARG  20          2HB       ARG  20  -9.816   4.924   2.265
  111   2HB   ARG  20          1HB       ARG  20  -9.758   3.645   3.468
  112   1HG   ARG  20          2HG       ARG  20  -7.507   3.068   2.889
  113   2HG   ARG  20          1HG       ARG  20  -7.595   3.995   1.396
  114   1HD   ARG  20          2HD       ARG  20  -7.141   5.983   2.442
  115   2HD   ARG  20          1HD       ARG  20  -8.141   5.590   3.843
  116    HE   ARG  20           HE       ARG  20  -6.295   4.309   4.770
  117   1HH1  ARG  20          1HH2      ARG  20  -5.540   5.870   1.732
  118   2HH1  ARG  20          2HH2      ARG  20  -3.844   5.774   1.993
  119   1HH2  ARG  20          1HH1      ARG  20  -4.076   4.168   5.041
  120   2HH2  ARG  20          2HH1      ARG  20  -3.030   4.824   3.835
  121    H    PHE  21           H        PHE  21 -11.761   3.235  -0.375
  122    HA   PHE  21           HA       PHE  21  -9.879   4.551  -2.290
  123   1HB   PHE  21          2HB       PHE  21 -11.494   2.022  -2.648
  124   2HB   PHE  21          1HB       PHE  21 -10.983   2.980  -4.036
  125    HD1  PHE  21           1HD      PHE  21  -9.852   0.866  -1.234
  126    HD2  PHE  21           2HD      PHE  21  -8.618   3.169  -4.635
  127    HE1  PHE  21           1HE      PHE  21  -7.609  -0.186  -1.125
  128    HE2  PHE  21           2HE      PHE  21  -6.365   2.109  -4.529
  129    HZ   PHE  21           HZ       PHE  21  -5.857   0.431  -2.770