#	AA	SS3	SS8	ASA 	HSEa-u	HSEa-d	CN13	theta	tau 	phi 	psi 	P(3-C)	P(3-E)	P(3-H)	P(8-C)	P(8-S)	P(8-T)	P(8-H)	P(8-G)	P(8-I)	P(8-E)	P(8-B)	
0	M	C	C	109.51	7.48	13.47	21.90	113.77	-167.09	-98.25	126.93	99.84	0.13	0.03	99.74	0.10	0.07	0.01	0.00	0.00	0.06	0.02
1	G	C	C	46.04	5.40	12.55	19.26	116.76	-149.36	-116.18	165.97	86.53	6.04	7.43	78.02	2.37	6.12	5.33	1.94	0.00	4.15	2.07
2	W	C	C	163.10	5.39	10.25	17.21	112.97	-101.52	-93.42	120.08	68.57	13.75	17.69	46.53	11.20	10.73	10.61	7.25	0.04	9.92	3.71
3	E	C	C	124.38	4.17	11.93	17.75	110.88	-151.93	-91.23	118.67	62.22	17.30	20.49	40.62	11.42	10.41	12.45	8.08	0.07	13.66	3.29
4	Y	C	C	129.26	7.74	11.18	20.10	110.66	-153.83	-94.68	118.14	59.08	16.40	24.52	39.15	10.38	9.44	16.62	8.30	0.10	12.12	3.90
5	A	C	C	63.24	7.03	12.24	20.56	110.08	-150.42	-89.86	118.93	61.28	8.82	29.91	35.35	11.97	14.53	23.44	6.36	0.08	6.07	2.21
6	G	C	H	41.94	5.95	14.12	21.04	111.36	-47.53	-78.31	-44.44	61.54	3.93	34.54	24.75	17.06	21.07	26.55	6.85	0.13	2.25	1.32
7	T	H	H	85.16	5.92	14.59	21.48	99.34	-69.76	-74.14	-26.76	47.24	3.64	49.12	20.72	13.84	15.36	39.89	6.60	0.24	2.03	1.31
8	Y	H	H	124.69	7.97	14.57	23.15	97.70	57.25	-73.12	-30.75	35.80	3.83	60.37	12.50	9.01	17.29	49.48	7.32	0.66	2.37	1.37
9	G	H	H	34.63	8.10	16.05	24.92	98.02	55.04	-65.32	-43.11	33.23	3.40	63.37	13.79	6.91	15.19	53.34	7.06	0.35	2.32	1.03
10	A	H	H	56.68	7.92	17.25	25.57	96.94	49.17	-69.74	-36.65	22.83	3.97	73.21	11.42	4.54	9.55	63.03	7.11	0.24	3.13	0.97
11	L	H	H	74.74	10.24	17.83	28.13	96.27	51.41	-70.14	-37.19	15.55	3.34	81.11	7.33	3.11	7.29	72.95	5.59	0.25	2.76	0.72
12	C	H	H	56.74	10.34	18.24	28.63	97.39	52.49	-69.80	-37.56	13.55	2.07	84.37	5.16	2.22	7.23	78.40	4.54	0.19	1.84	0.41
13	G	H	H	32.33	8.84	19.36	28.38	96.17	51.03	-64.60	-41.79	14.84	1.53	83.63	5.35	2.22	8.21	78.65	3.81	0.15	1.26	0.35
14	M	H	H	81.27	10.22	19.43	29.47	95.21	49.74	-69.90	-40.70	9.36	1.67	88.97	3.89	1.62	4.78	84.88	2.97	0.12	1.47	0.29
15	V	H	H	57.59	11.91	18.71	30.40	95.01	50.33	-68.68	-42.02	7.69	3.06	89.26	3.16	1.33	3.87	85.81	2.45	0.14	2.89	0.35
16	Y	H	H	108.10	8.76	20.17	28.89	94.39	49.17	-68.46	-40.37	7.93	3.85	88.22	3.02	1.34	4.15	84.54	2.69	0.16	3.70	0.39
17	A	H	H	45.92	8.22	19.01	27.71	95.63	50.90	-70.08	-41.01	11.21	3.44	85.36	4.07	1.82	6.14	81.33	2.88	0.17	3.13	0.47
18	I	H	H	67.82	9.94	17.98	28.29	95.74	48.53	-70.55	-39.61	17.46	2.90	79.64	4.69	2.96	10.86	75.24	3.02	0.34	2.24	0.65
19	G	H	H	28.21	10.33	16.81	27.60	95.64	49.52	-65.13	-40.26	28.60	1.89	69.52	9.04	5.51	15.89	63.24	4.24	0.24	1.25	0.59
20	S	H	H	61.04	5.95	17.54	24.18	94.22	48.84	-70.60	-33.93	34.61	2.06	63.33	9.69	6.75	19.63	54.66	6.91	0.31	1.35	0.71
21	N	H	H	86.18	6.14	16.29	23.30	96.52	50.11	-79.03	-22.88	38.32	3.44	58.24	13.58	7.21	19.12	48.18	8.25	0.26	2.45	0.94
22	V	H	H	65.53	9.48	13.05	23.49	102.38	62.45	-81.29	-21.83	39.02	8.30	52.68	20.09	8.08	12.92	42.38	8.22	0.24	6.43	1.65
23	I	H	H	97.65	6.06	13.62	20.87	101.95	52.01	-81.99	-14.10	41.32	14.26	44.42	21.57	8.54	13.36	35.82	6.76	0.39	10.76	2.80
24	S	C	T	75.68	3.45	13.44	18.09	103.18	63.73	-82.28	13.17	61.17	7.06	31.78	19.24	10.94	30.80	26.04	6.13	0.18	5.03	1.64
25	G	C	T	48.80	4.65	12.93	18.83	101.29	-2.18	67.76	-1.24	74.69	3.22	22.09	20.35	17.41	37.62	15.40	6.05	0.04	2.23	0.90
26	R	C	C	129.64	5.66	12.00	19.31	109.65	100.50	-87.25	122.31	61.94	4.36	33.69	36.39	15.35	10.47	22.37	11.25	0.03	2.74	1.39
27	A	H	G	64.51	5.36	13.58	20.17	103.77	-131.62	-71.32	36.37	40.70	6.48	52.83	19.72	8.34	13.43	23.68	28.65	0.08	4.82	1.28
28	W	H	G	132.61	7.48	13.33	21.90	101.59	63.34	-82.40	-10.89	33.20	9.57	57.22	14.71	6.96	13.00	23.08	33.30	0.14	7.31	1.50
29	F	H	G	90.07	10.27	11.58	22.67	109.04	72.32	-90.62	93.02	37.56	12.18	50.26	19.57	8.15	11.97	20.13	28.94	0.17	8.82	2.25
30	R	C	C	138.77	5.48	14.16	20.77	102.80	82.79	-88.36	4.45	54.97	10.48	34.55	26.15	14.36	15.74	16.75	16.78	0.17	7.52	2.51
31	R	C	C	110.17	5.94	13.47	20.93	116.12	82.85	-94.46	131.49	83.75	3.33	12.92	42.79	36.14	4.38	12.16	1.53	0.01	2.07	0.93
32	P	H	H	80.75	6.00	13.59	20.95	94.58	-125.37	-62.14	-33.13	37.95	1.18	60.88	10.17	5.83	21.99	54.61	6.16	0.07	0.86	0.32
33	W	H	H	144.68	4.85	15.19	20.98	93.83	55.91	-67.75	-34.25	27.23	2.72	70.05	7.15	3.97	16.76	61.50	7.51	0.22	2.33	0.57
34	V	H	H	56.45	8.81	15.03	24.91	94.79	50.84	-68.84	-39.21	17.40	6.36	76.24	8.15	3.21	7.42	67.20	7.12	0.18	5.89	0.83
35	H	H	H	79.86	8.17	16.70	25.68	93.89	51.26	-67.17	-40.05	16.84	5.75	77.41	10.01	2.82	5.34	71.00	4.65	0.05	5.47	0.66
36	V	H	H	68.67	5.40	18.65	24.70	92.98	51.04	-65.53	-41.71	15.11	3.59	81.29	7.75	2.55	5.68	77.34	2.78	0.05	3.43	0.42
37	T	H	H	54.95	7.34	18.72	26.87	92.73	50.15	-65.93	-40.74	12.06	2.04	85.90	6.00	1.92	4.63	83.37	1.89	0.02	1.86	0.30
38	S	H	H	37.71	9.68	18.09	28.57	92.67	51.49	-65.49	-40.55	8.34	1.07	90.60	4.42	1.39	3.03	88.75	1.31	0.02	0.89	0.19
39	V	H	H	69.14	6.16	20.22	26.81	92.54	49.97	-65.39	-41.76	5.21	0.75	94.05	2.52	0.81	2.20	92.71	0.98	0.02	0.62	0.14
40	T	H	H	58.56	5.93	20.46	26.77	92.41	48.94	-64.61	-42.56	3.46	0.59	95.95	1.63	0.49	1.49	95.06	0.70	0.01	0.52	0.09
41	L	H	H	63.65	8.50	19.33	28.48	92.41	49.50	-65.33	-41.49	2.58	0.37	97.06	1.10	0.33	1.16	96.40	0.61	0.01	0.32	0.06
42	S	H	H	42.97	7.77	19.06	27.54	92.33	50.93	-64.80	-41.29	3.32	0.25	96.43	1.15	0.38	1.77	95.72	0.71	0.01	0.19	0.06
43	Y	H	H	114.09	4.35	20.76	25.21	92.41	49.15	-65.15	-41.89	3.42	0.21	96.37	0.94	0.39	2.11	95.61	0.73	0.02	0.15	0.05
44	L	H	H	72.04	5.99	19.84	26.26	92.36	49.19	-65.20	-41.88	3.21	0.18	96.61	0.98	0.40	1.85	95.88	0.69	0.01	0.13	0.04
45	G	H	H	25.12	8.30	17.42	26.92	92.30	51.22	-64.25	-41.41	4.63	0.25	95.11	1.38	0.55	2.71	94.05	1.04	0.02	0.20	0.06
46	S	H	H	54.18	5.17	18.77	24.50	92.49	50.73	-65.37	-40.23	6.93	0.51	92.56	2.18	0.90	3.96	91.06	1.33	0.04	0.41	0.12
47	K	H	H	114.52	3.04	19.95	22.62	92.51	50.24	-65.82	-40.66	8.45	0.85	90.69	3.24	1.25	4.35	88.71	1.51	0.04	0.73	0.17
48	L	H	H	69.39	5.95	17.58	24.49	92.35	50.13	-65.55	-41.10	9.73	1.32	88.95	4.47	1.45	4.34	86.75	1.59	0.03	1.13	0.23
49	L	H	H	66.81	7.37	16.34	24.96	92.24	51.55	-64.78	-41.27	9.68	1.48	88.84	5.39	1.56	3.36	86.49	1.63	0.02	1.33	0.23
50	D	H	H	80.59	3.42	18.00	21.74	92.40	51.65	-64.82	-40.58	11.42	1.59	86.99	6.14	1.73	4.24	84.35	1.84	0.02	1.41	0.26
51	E	H	H	107.81	2.55	18.58	20.65	92.74	50.02	-66.11	-40.47	12.54	1.09	86.36	5.23	1.91	5.94	83.80	1.93	0.03	0.94	0.21
52	V	H	H	59.63	6.31	16.30	23.90	92.87	48.82	-66.40	-41.10	14.84	0.97	84.18	6.38	2.52	6.77	81.40	1.89	0.05	0.75	0.24
53	Q	H	H	74.44	7.92	16.00	25.06	92.65	51.97	-65.01	-40.67	17.32	0.81	81.88	8.49	2.62	6.38	80.52	1.22	0.01	0.53	0.23
54	D	H	H	79.61	3.51	17.84	21.68	92.51	51.05	-65.30	-40.54	19.46	0.45	80.08	9.58	2.59	7.12	79.26	1.03	0.01	0.24	0.17
55	T	H	H	77.23	2.19	18.86	20.15	92.50	48.95	-65.66	-41.43	7.76	0.18	92.06	3.11	1.13	3.65	91.20	0.75	0.01	0.10	0.06
56	Y	H	H	88.03	6.85	16.86	24.94	92.22	49.37	-65.16	-41.87	2.94	0.08	96.98	1.20	0.40	1.40	96.44	0.49	0.00	0.04	0.02
57	Y	H	H	73.71	10.68	15.98	27.48	92.16	50.26	-64.51	-41.97	1.41	0.04	98.55	0.59	0.18	0.66	98.25	0.29	0.00	0.02	0.01
58	L	H	H	86.09	3.55	18.59	22.46	91.81	50.70	-64.22	-41.05	0.62	0.01	99.37	0.21	0.07	0.31	99.24	0.15	0.00	0.00	0.00
59	E	H	H	101.06	2.42	19.59	21.23	91.97	49.75	-64.83	-41.36	0.46	0.00	99.53	0.11	0.04	0.26	99.48	0.10	0.00	0.00	0.00
60	H	H	H	61.46	9.11	17.06	27.32	92.36	49.09	-65.39	-41.72	0.42	0.00	99.58	0.07	0.03	0.26	99.57	0.07	0.00	0.00	0.00
61	L	H	H	51.41	9.68	15.55	26.57	91.86	50.46	-64.07	-41.51	0.31	0.00	99.69	0.04	0.02	0.19	99.69	0.05	0.00	0.00	0.00
62	K	H	H	115.97	1.83	19.36	19.93	91.72	50.69	-63.82	-41.40	0.51	0.00	99.49	0.05	0.03	0.37	99.48	0.08	0.00	0.00	0.00
63	R	H	H	108.43	3.14	17.28	20.74	92.01	49.69	-64.85	-41.77	0.80	0.00	99.20	0.08	0.05	0.62	99.06	0.19	0.00	0.00	0.00
64	V	H	H	31.07	9.86	12.01	23.91	92.19	49.07	-65.03	-41.67	1.12	0.01	98.87	0.15	0.09	0.79	98.57	0.38	0.00	0.00	0.00
65	E	H	H	108.97	4.21	13.13	18.78	91.83	51.13	-64.20	-39.82	2.31	0.01	97.68	0.25	0.14	1.77	96.95	0.88	0.00	0.00	0.00
66	R	H	H	180.29	0.87	13.57	13.72	91.21	53.17	-66.45	-29.62	12.58	0.02	87.41	0.38	0.43	11.96	86.14	1.06	0.01	0.01	0.01
67	K	C	T	131.00	2.69	11.67	15.48	93.82	51.05	-88.45	1.15	77.68	0.03	22.29	0.48	1.28	75.58	21.53	1.08	0.00	0.01	0.03
68	G	C	T	62.56	0.77	13.77	13.57	95.86	-105.95	83.91	10.31	99.48	0.02	0.50	2.62	1.49	95.53	0.27	0.07	0.00	0.01	0.00
69	L	C	C	69.14	8.81	7.93	18.17	119.05	139.07	-91.62	142.08	97.03	2.47	0.50	92.88	3.49	0.94	0.20	0.23	0.00	1.53	0.73
70	Q	C	C	142.03	1.26	17.15	17.81	112.99	-130.98	-91.92	126.19	92.65	6.75	0.60	86.08	5.72	1.16	0.27	0.32	0.00	4.08	2.38
71	V	C	C	37.36	17.68	7.58	23.91	118.62	-160.15	-104.22	131.65	94.00	5.62	0.37	89.76	4.54	0.32	0.23	0.12	0.00	3.82	1.20
72	T	C	C	64.31	3.47	15.12	19.36	118.01	-122.56	-75.26	160.01	96.57	2.24	1.19	95.69	1.04	0.40	0.90	0.16	0.00	1.30	0.51
73	E	H	H	139.74	2.09	12.83	16.04	92.07	-103.97	-58.94	-36.72	16.32	0.24	83.45	3.54	2.66	8.92	57.78	26.85	0.03	0.13	0.09
74	E	H	H	127.21	1.95	14.13	16.32	91.89	56.50	-66.29	-35.32	14.30	0.16	85.55	2.12	1.61	9.05	58.92	28.14	0.02	0.09	0.05
75	H	H	H	52.39	12.80	10.64	23.98	93.09	50.48	-73.20	-28.40	11.09	0.18	88.72	3.00	1.47	5.73	59.79	29.83	0.01	0.11	0.06
76	K	H	H	93.92	9.28	12.47	22.81	92.08	65.55	-62.33	-38.56	9.42	0.25	90.33	3.47	1.32	4.15	70.01	20.82	0.01	0.16	0.06
77	K	H	H	142.98	1.42	17.09	17.73	91.78	55.05	-66.01	-33.39	13.98	0.28	85.74	2.28	1.41	8.63	58.50	28.88	0.04	0.18	0.08
78	L	H	H	77.70	7.57	14.47	23.25	93.20	53.73	-71.65	-28.86	21.31	0.43	78.26	2.94	2.31	14.03	53.91	26.31	0.08	0.26	0.16
79	F	H	H	67.72	13.69	11.34	25.15	100.07	45.54	-98.77	1.89	41.01	4.61	54.38	12.90	8.98	20.45	38.38	14.27	0.47	2.46	2.09
80	S	C	C	57.39	6.32	12.30	20.33	115.40	103.77	-81.81	139.95	81.59	7.96	10.45	48.22	25.55	7.90	8.52	2.32	0.02	4.03	3.44
81	A	C	C	78.05	4.23	10.53	16.58	109.11	-115.09	-75.59	132.22	90.29	5.91	3.80	82.40	2.05	6.18	2.37	1.07	0.00	3.44	2.48
82	Y	C	C	156.40	4.51	11.22	17.48	111.99	-134.35	-92.08	120.29	99.92	0.07	0.02	99.82	0.08	0.05	0.01	0.00	0.00	0.03	0.01