#	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	108.01	7.04	13.86	22.17	115.50	-157.68	-94.81	129.00	99.50	0.50	0.01	99.56	0.07	0.02	0.00	0.00	0.00	0.32	0.03
1	S	C	C	69.98	6.46	11.82	19.94	118.05	-158.52	-98.10	138.47	80.08	18.64	1.28	76.34	1.30	2.24	0.32	0.61	0.00	18.02	1.17
2	H	C	E	106.14	8.06	12.53	21.81	120.13	-166.89	-107.76	134.19	57.76	40.39	1.85	38.14	15.52	4.21	0.39	1.38	0.00	39.32	1.03
3	S	E	E	56.57	8.80	15.94	25.73	125.97	-157.48	-116.68	144.02	35.18	62.76	2.07	28.26	5.48	1.25	0.58	1.19	0.00	62.65	0.60
4	V	E	E	39.52	16.94	14.67	31.59	123.38	-159.64	-119.24	132.80	11.85	86.98	1.17	10.75	0.91	0.24	0.85	0.32	0.00	86.47	0.46
5	K	E	E	106.90	7.51	21.51	29.87	118.44	-152.84	-108.93	129.45	7.86	91.20	0.94	7.27	0.50	0.17	0.69	0.22	0.00	90.69	0.47
6	I	E	E	27.22	18.90	14.64	33.63	116.55	-161.77	-106.91	123.16	24.57	74.01	1.43	23.41	1.04	0.29	0.71	0.49	0.00	73.19	0.88
7	Y	C	C	91.33	10.59	18.60	29.53	108.48	-171.28	-93.05	-26.07	60.93	31.50	7.57	33.30	18.24	10.49	1.35	5.83	0.01	29.69	1.08
8	D	C	S	99.72	5.16	21.14	26.65	101.38	2.19	-77.97	-2.69	76.04	16.74	7.23	10.49	37.11	29.92	0.91	5.52	0.03	14.74	1.27
9	T	C	C	62.49	10.16	20.47	30.59	112.32	50.92	-103.07	85.37	76.06	15.99	7.95	34.31	18.77	24.28	1.35	6.54	0.02	13.18	1.56
10	C	C	C	14.02	22.95	14.54	36.81	113.06	122.65	-91.37	128.01	77.40	20.90	1.71	67.85	6.06	2.59	0.59	1.19	0.00	15.29	6.44
11	I	C	C	57.70	12.64	23.30	35.84	112.10	-157.18	-98.40	120.73	74.21	23.38	2.41	39.64	18.09	18.34	0.92	1.58	0.06	15.66	5.71
12	G	C	S	27.59	11.80	23.16	34.63	99.37	-20.46	79.14	10.39	87.32	10.28	2.40	29.80	37.00	21.63	0.87	1.40	0.01	7.25	2.04
13	C	C	C	16.75	21.26	16.06	36.39	107.07	128.13	-82.12	82.24	86.95	2.79	10.26	72.87	10.61	2.81	9.77	1.26	0.00	1.13	1.56
14	T	H	H	71.21	7.97	21.92	30.29	94.21	-131.72	-64.19	-36.48	24.78	0.45	74.78	8.46	10.08	8.05	71.65	1.32	0.05	0.13	0.27
15	Q	H	H	85.30	6.72	23.75	30.63	92.46	52.50	-66.63	-39.73	11.78	0.60	87.62	5.79	2.88	4.54	84.49	1.70	0.07	0.32	0.23
16	C	H	H	4.58	23.73	17.05	40.84	92.36	50.98	-65.54	-42.78	3.18	0.62	96.19	1.54	0.62	1.64	92.98	2.54	0.04	0.52	0.11
17	V	H	H	24.59	19.33	18.38	37.10	91.84	51.51	-64.01	-39.69	2.69	0.81	96.50	1.14	0.39	1.53	93.50	2.50	0.04	0.77	0.12
18	R	H	H	155.80	2.64	23.76	26.41	91.70	52.72	-66.85	-34.29	7.53	0.59	91.87	1.56	0.57	5.70	89.55	1.87	0.10	0.48	0.16
19	A	H	H	36.68	11.88	18.88	31.25	93.53	50.62	-80.26	-21.34	20.00	0.41	79.60	1.29	1.92	16.92	78.48	0.80	0.17	0.13	0.29
20	C	C	C	8.63	23.93	10.69	33.99	109.32	79.67	-96.54	111.50	98.07	0.90	1.03	67.30	29.24	1.39	0.97	0.17	0.00	0.29	0.65
21	P	C	T	90.08	4.09	20.68	25.61	93.53	-164.00	-66.45	-19.67	87.26	0.98	11.76	23.86	18.11	45.23	5.61	6.17	0.00	0.52	0.52
22	L	C	T	69.22	10.50	17.17	28.26	97.17	55.14	-93.29	-1.52	83.70	1.29	15.01	7.07	25.01	51.78	7.24	7.46	0.03	0.74	0.68
23	D	C	C	86.54	8.69	21.11	30.19	95.44	-117.51	58.14	43.04	77.56	5.30	17.13	39.39	17.28	20.99	6.09	11.26	0.02	3.77	1.19
24	V	C	C	12.30	21.03	18.21	39.28	97.38	142.37	-85.35	-25.27	66.50	18.17	15.33	30.06	25.64	11.64	6.34	8.65	0.06	16.00	1.61
25	L	E	E	8.00	24.48	16.67	41.18	126.10	43.43	-122.99	136.96	28.30	57.23	14.47	17.08	8.39	6.52	6.98	6.90	0.15	50.82	3.17
26	E	E	E	86.83	7.67	25.52	33.72	126.67	-170.60	-122.64	142.68	26.37	64.86	8.77	20.53	4.41	2.48	4.29	3.72	0.01	63.01	1.56
27	M	E	E	58.14	17.96	16.02	33.39	115.69	-128.12	-89.27	129.56	31.67	64.57	3.77	25.54	5.16	1.73	2.27	1.71	0.01	60.19	3.39
28	V	C	E	41.18	11.09	15.87	28.68	121.68	-162.89	-113.24	135.43	53.08	46.09	0.82	42.65	9.02	0.99	0.33	0.49	0.00	44.98	1.54
29	P	C	C	84.85	4.76	16.95	22.75	112.89	-112.30	-67.45	140.93	62.73	35.04	2.23	50.85	6.97	3.38	0.56	1.53	0.00	35.59	1.14
30	W	C	C	87.38	14.32	8.64	22.46	114.14	-163.04	-114.51	123.80	52.61	38.83	8.56	29.44	12.21	12.89	2.88	5.59	0.17	26.52	10.30
31	D	C	T	125.40	1.40	13.35	15.04	96.88	-19.92	42.20	45.54	89.30	3.31	7.39	10.04	14.22	64.82	1.98	5.44	0.01	2.43	1.05
32	G	C	T	64.57	0.90	13.10	13.31	96.59	-49.90	81.24	1.36	90.91	1.48	7.61	8.97	18.06	64.01	1.91	5.49	0.01	1.01	0.54
33	C	C	C	45.30	10.97	8.44	20.33	123.34	110.15	-102.48	146.73	50.45	41.55	8.01	30.55	15.13	5.83	5.29	3.31	0.26	28.43	11.20
34	K	C	C	115.88	3.50	17.79	21.54	114.66	-117.66	-84.82	140.99	49.38	38.78	11.84	39.32	5.41	3.49	9.87	3.07	0.03	34.03	4.78
35	A	H	H	41.70	15.20	11.93	26.65	95.23	-118.29	-61.31	-34.67	30.07	17.39	52.55	16.63	5.91	8.53	30.80	20.77	0.25	15.47	1.64
36	A	H	H	62.38	5.38	17.36	23.59	93.45	60.79	-66.77	-30.55	23.43	20.54	56.03	12.07	4.56	7.52	35.35	19.80	0.19	19.18	1.34
37	Q	H	H	91.74	6.14	18.30	25.13	94.34	56.84	-73.16	-29.08	19.91	22.41	57.68	12.08	3.70	5.14	37.49	19.00	0.11	21.12	1.35
38	I	H	H	28.04	19.43	12.63	31.10	96.63	57.12	-73.95	-30.36	24.19	26.09	49.72	14.91	4.51	5.85	38.06	10.95	0.21	22.77	2.74
39	A	C	H	52.91	10.69	16.47	27.45	96.16	65.11	-70.59	-24.62	41.91	18.77	39.32	19.00	7.58	15.64	30.61	8.68	0.32	15.68	2.48
40	S	C	T	79.98	3.09	19.00	22.31	99.54	54.15	-90.28	-1.26	62.89	9.02	28.09	19.71	14.93	29.07	19.45	8.15	0.32	6.27	2.09
41	S	C	C	38.30	13.94	13.28	27.47	119.08	101.61	-90.43	141.71	96.52	2.56	0.92	49.65	46.07	1.24	0.60	0.28	0.00	1.42	0.75
42	P	C	C	60.03	10.36	15.78	27.05	111.88	-104.74	-66.81	149.39	89.12	3.29	7.59	69.87	10.85	8.02	4.03	3.74	0.00	1.97	1.53
43	R	C	C	111.31	9.14	17.39	27.07	111.77	-115.83	-84.71	126.81	85.31	5.11	9.57	71.87	6.65	6.33	4.48	4.93	0.00	2.40	3.34
44	T	H	G	49.27	16.73	13.09	28.70	97.86	-143.23	-73.09	-24.90	38.89	2.68	58.43	22.43	6.85	10.61	7.59	50.06	0.00	1.79	0.66
45	E	H	G	138.23	3.01	18.68	22.51	93.90	68.07	-71.16	-21.22	32.55	2.83	64.62	8.93	7.21	18.18	8.55	54.41	0.02	2.10	0.60
46	D	H	G	87.10	6.01	18.48	25.24	98.49	48.63	-94.70	6.37	32.99	3.23	63.79	10.99	7.59	16.47	6.78	55.07	0.05	2.26	0.79
47	C	C	C	17.76	21.51	11.83	32.43	114.42	116.07	-85.15	127.45	75.99	13.92	10.09	58.21	11.45	5.16	4.98	5.68	0.02	8.28	6.22
48	V	C	T	61.90	9.78	21.71	31.85	113.29	-157.37	-95.40	126.34	72.84	18.52	8.64	20.83	13.78	39.28	5.43	3.22	0.30	11.39	5.78
49	G	C	T	27.08	10.90	21.19	32.20	101.50	9.11	88.31	1.68	84.54	8.21	7.25	15.82	23.87	45.82	3.73	3.06	0.07	5.46	2.17
50	C	C	C	17.37	20.64	13.74	33.68	101.55	132.46	-72.91	57.51	89.72	2.57	7.71	80.81	6.52	2.15	6.76	1.28	0.00	1.20	1.29
51	K	H	H	131.01	3.26	21.38	25.28	92.79	80.21	-62.23	-40.21	28.40	0.79	70.81	7.19	6.79	16.16	64.33	4.54	0.22	0.40	0.38
52	R	H	H	115.07	6.19	20.89	27.52	92.62	49.90	-67.48	-37.63	22.37	1.03	76.60	4.52	4.30	15.03	69.63	5.11	0.32	0.71	0.37
53	C	H	H	6.76	23.18	13.46	36.39	93.25	51.48	-69.49	-37.06	12.56	1.30	86.15	5.81	2.39	5.62	78.53	6.21	0.08	1.06	0.30
54	E	H	H	85.12	12.75	17.54	29.98	92.07	58.58	-63.57	-36.37	11.05	1.32	87.63	4.57	1.78	5.61	80.39	6.13	0.10	1.14	0.27
55	T	H	H	102.19	1.44	21.76	21.57	93.18	51.68	-73.14	-29.21	16.86	0.79	82.35	3.41	2.16	11.60	77.45	4.42	0.14	0.61	0.22
56	A	H	H	37.69	11.62	16.68	28.89	96.06	49.08	-82.66	-28.16	25.86	0.73	73.40	3.66	5.19	18.36	69.46	2.36	0.25	0.33	0.39
57	C	C	C	14.40	20.23	10.48	30.05	112.57	45.34	-118.09	100.08	98.18	0.91	0.91	64.71	32.39	1.05	0.75	0.19	0.00	0.31	0.61
58	P	C	T	89.84	4.12	17.44	22.62	94.02	-169.09	-66.54	-20.21	82.87	1.46	15.67	24.76	13.50	44.83	7.07	8.31	0.00	1.06	0.46
59	T	C	T	78.79	5.42	16.36	22.67	100.84	49.37	-95.18	-3.91	76.07	3.14	20.79	9.55	18.49	48.49	9.75	10.29	0.04	2.61	0.77
60	D	C	C	88.05	8.44	17.48	26.54	98.32	-117.99	39.38	49.37	72.93	6.53	20.54	40.35	15.39	17.41	9.10	11.34	0.01	5.20	1.20
61	F	C	C	56.74	15.21	15.84	30.96	99.54	146.12	-91.83	-15.74	63.14	19.40	17.46	41.11	14.39	7.69	10.81	6.49	0.02	17.78	1.71
62	L	E	E	39.77	18.92	14.80	32.83	120.69	71.24	-110.52	129.94	32.09	53.22	14.69	22.64	6.06	4.31	10.53	4.64	0.06	49.77	2.00
63	S	E	E	51.79	8.11	21.09	29.85	126.11	-171.06	-120.76	141.93	22.65	67.32	10.04	17.54	2.91	1.90	7.39	2.68	0.01	66.73	0.84
64	I	E	E	57.32	17.10	14.21	30.80	121.74	-156.86	-115.93	130.92	19.00	72.10	8.91	15.56	1.59	0.97	7.22	1.63	0.00	72.46	0.57
65	R	E	E	123.46	6.22	17.67	25.30	121.32	-167.30	-115.24	131.54	17.29	74.17	8.54	14.04	1.41	0.94	6.96	1.60	0.00	74.59	0.45
66	V	E	E	60.87	11.80	13.20	25.98	119.49	-157.28	-109.49	129.57	20.37	70.65	8.98	16.10	2.11	1.40	6.76	2.08	0.00	70.96	0.59
67	Y	E	E	117.35	6.55	13.45	21.71	116.43	-160.80	-105.84	125.48	30.48	61.07	8.45	23.40	4.29	2.69	6.35	2.43	0.01	59.74	1.09
68	L	C	E	98.68	6.06	10.97	18.72	114.04	-163.67	-103.92	119.43	52.48	39.17	8.35	30.10	12.32	10.81	5.31	3.24	0.04	36.67	1.51
69	G	C	C	49.58	3.20	11.74	15.98	117.15	-66.80	100.43	-168.16	79.83	11.97	8.20	33.55	22.22	24.48	4.22	3.68	0.01	10.57	1.27
70	A	C	T	88.76	2.19	10.78	14.10	105.93	-45.83	-86.61	25.05	77.08	4.54	18.38	24.86	23.59	29.36	10.34	7.28	0.03	3.36	1.17
71	E	C	C	138.18	2.62	10.28	14.55	115.46	60.66	-95.85	131.34	64.23	12.65	23.12	27.67	18.13	19.24	14.83	7.68	0.18	10.08	2.18
72	T	C	C	87.00	5.16	9.62	16.62	118.96	-156.31	-105.88	137.67	55.59	21.12	23.30	37.71	9.95	7.57	17.35	6.45	0.08	18.30	2.58
73	T	C	C	87.63	4.92	9.91	16.78	117.60	-156.76	-105.19	133.96	47.61	24.61	27.77	32.59	7.83	6.81	21.59	6.62	0.09	22.06	2.40
74	R	C	C	156.41	3.44	10.68	16.05	116.90	-158.00	-100.82	136.29	44.46	25.80	29.73	27.24	8.47	8.89	21.93	7.80	0.13	23.46	2.07
75	S	C	C	77.93	3.96	9.99	15.82	117.41	-144.20	-98.64	137.22	47.94	23.72	28.34	29.09	8.40	10.42	20.01	8.34	0.13	21.45	2.15
76	M	C	C	126.94	4.14	9.47	15.23	110.25	-152.05	-97.81	109.41	56.46	20.12	23.42	28.59	11.23	16.73	16.42	7.12	0.18	17.40	2.34
77	G	C	C	52.15	3.26	10.53	15.18	111.79	-101.44	88.71	141.53	67.36	19.59	13.04	31.69	15.07	21.34	7.43	5.19	0.09	17.33	1.87
78	L	C	C	114.98	4.04	7.97	13.83	113.24	-121.94	-92.75	127.88	63.49	23.41	13.11	42.49	10.21	10.84	7.35	5.60	0.05	20.76	2.69
79	A	C	C	81.77	2.80	8.81	13.40	116.58	-156.86	-100.32	136.38	70.42	19.75	9.82	57.97	3.42	8.65	5.93	3.26	0.01	17.32	3.44
80	Y	C	C	151.42	5.06	10.66	17.36	115.78	-140.14	-101.86	132.11	98.82	1.00	0.18	98.71	0.19	0.15	0.13	0.01	0.00	0.73	0.07