#	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	108.11	6.64	14.10	22.02	116.65	-156.41	-95.35	133.20	99.62	0.37	0.00	99.67	0.06	0.01	0.00	0.00	0.00	0.24	0.02
1	S	C	C	70.09	6.47	12.15	20.26	119.65	-150.48	-100.04	140.39	80.13	19.50	0.37	76.81	1.31	1.21	0.07	0.22	0.00	19.57	0.81
2	H	E	E	88.64	10.19	12.28	23.42	122.82	-163.21	-114.13	139.86	46.57	53.03	0.40	32.87	11.86	1.64	0.05	0.37	0.00	52.55	0.66
3	T	E	E	72.92	7.49	17.05	25.74	122.14	-148.31	-110.67	137.48	19.66	80.15	0.19	17.14	1.83	0.19	0.03	0.12	0.00	80.35	0.33
4	V	E	E	33.38	18.03	13.86	31.81	123.88	-165.62	-119.77	133.83	4.92	95.03	0.06	4.63	0.22	0.02	0.02	0.02	0.00	94.96	0.13
5	K	E	E	105.41	7.02	22.07	29.89	118.00	-154.13	-105.24	129.52	3.31	96.64	0.06	3.15	0.12	0.02	0.02	0.01	0.00	96.56	0.11
6	I	E	E	28.27	19.39	14.63	34.01	117.40	-160.19	-104.48	125.16	14.39	85.44	0.17	13.90	0.48	0.07	0.06	0.06	0.00	84.99	0.43
7	Y	C	E	86.30	10.17	18.63	29.48	115.37	-167.95	-99.00	143.90	53.79	44.19	2.02	37.88	12.81	2.86	0.42	1.44	0.00	43.79	0.81
8	D	C	S	95.88	6.04	20.51	26.97	101.55	-58.31	-86.35	-12.11	74.97	21.83	3.19	13.23	45.52	16.56	0.42	2.35	0.01	20.85	1.05
9	T	C	C	66.31	8.99	20.44	29.61	119.16	53.70	-114.55	125.00	74.03	21.19	4.78	39.50	20.06	15.63	0.91	3.80	0.01	18.48	1.61
10	C	C	C	16.66	22.48	13.77	35.50	117.17	-162.70	-95.92	131.05	70.64	26.48	2.89	61.11	5.62	2.93	1.05	1.95	0.00	21.32	6.01
11	I	C	C	66.95	10.80	22.84	33.74	112.07	-158.77	-96.77	112.78	70.20	26.13	3.67	36.08	17.36	19.08	1.58	2.14	0.09	17.69	5.96
12	G	C	C	29.62	10.33	23.01	33.36	98.19	1.04	75.62	18.42	86.91	8.72	4.37	32.18	31.19	24.69	2.23	1.93	0.01	5.75	2.01
13	C	C	C	14.40	22.42	15.35	36.89	99.28	132.38	-79.48	-9.25	68.11	2.21	29.68	50.54	11.47	5.44	28.57	2.05	0.00	0.92	1.00
14	T	H	H	68.53	8.30	22.00	30.68	93.35	86.39	-64.33	-38.59	20.17	0.31	79.52	7.94	6.73	7.00	76.74	1.30	0.04	0.10	0.16
15	Q	H	H	86.89	5.87	24.16	30.12	92.27	51.69	-66.44	-40.19	7.21	0.33	92.47	3.61	1.67	3.01	89.93	1.46	0.04	0.18	0.11
16	C	H	H	4.88	23.58	16.91	40.59	91.78	51.46	-64.75	-42.85	2.11	0.34	97.56	0.85	0.38	1.18	95.34	1.90	0.02	0.28	0.05
17	V	H	H	26.70	19.15	18.43	36.91	91.69	51.53	-63.85	-39.66	1.97	0.45	97.58	0.64	0.25	1.25	95.49	1.87	0.03	0.43	0.05
18	R	H	H	159.30	2.32	23.61	25.74	91.66	52.77	-66.65	-33.14	5.89	0.31	93.80	0.78	0.41	4.90	92.25	1.27	0.07	0.23	0.09
19	A	H	H	38.83	11.24	18.82	30.65	93.69	50.81	-81.33	-19.43	17.96	0.31	81.73	0.94	1.69	15.56	80.68	0.66	0.17	0.08	0.22
20	C	C	C	8.76	24.02	10.00	33.22	111.04	84.61	-94.40	116.18	98.24	1.00	0.76	68.84	28.13	1.15	0.71	0.12	0.00	0.33	0.71
21	P	C	T	94.52	3.42	20.54	24.62	93.03	-160.38	-66.96	-19.80	92.82	0.78	6.40	22.60	20.69	49.23	2.99	3.65	0.00	0.40	0.43
22	T	C	T	58.61	9.78	16.96	27.50	98.55	52.42	-94.88	-1.83	90.54	0.78	8.68	5.00	29.63	56.14	4.11	4.28	0.00	0.42	0.43
23	D	C	C	86.10	8.64	20.93	30.01	94.64	-116.01	58.89	42.10	84.66	5.18	10.16	40.35	24.16	20.27	3.04	7.32	0.01	3.72	1.12
24	V	C	C	12.40	20.73	18.07	39.03	96.92	139.78	-83.33	-24.18	73.10	18.71	8.19	34.13	31.87	7.67	3.09	4.86	0.02	17.12	1.25
25	L	E	E	7.18	24.82	16.41	41.47	127.17	47.20	-123.68	136.39	23.47	69.77	6.77	15.85	6.77	3.51	2.91	3.28	0.02	65.23	2.44
26	E	E	E	86.86	7.46	25.91	34.06	128.48	-171.37	-126.01	144.25	16.14	80.73	3.13	13.25	2.32	1.09	1.42	1.24	0.00	79.94	0.73
27	M	E	E	57.12	18.52	16.48	34.27	115.43	-125.71	-89.35	130.11	20.93	77.45	1.61	18.04	2.67	0.72	0.91	0.70	0.00	74.78	2.18
28	V	C	E	37.25	12.15	16.11	29.83	121.06	-162.11	-111.93	134.50	52.39	47.12	0.49	45.27	5.64	0.51	0.18	0.27	0.00	46.82	1.31
29	P	C	C	80.77	5.10	18.52	24.36	111.94	-108.86	-67.83	141.21	71.74	25.79	2.48	59.08	7.76	3.34	0.59	1.76	0.00	26.09	1.38
30	W	C	C	89.61	15.31	9.56	24.19	112.31	-148.17	-96.45	119.24	68.45	16.09	15.46	37.57	15.04	16.92	3.10	12.20	0.05	9.91	5.21
31	D	C	T	118.02	1.86	14.88	17.20	101.13	37.68	-79.01	64.69	78.58	5.41	16.01	13.11	17.22	48.08	2.39	13.70	0.03	3.52	1.97
32	G	C	T	58.49	1.97	14.26	16.74	98.60	-51.17	83.69	1.31	82.81	2.84	14.35	13.97	21.38	47.57	2.12	12.16	0.01	1.78	1.02
33	C	C	C	42.19	13.65	7.89	21.29	119.56	121.05	-93.87	145.22	79.19	14.23	6.58	52.95	16.99	8.40	2.46	4.41	0.01	7.40	7.38
34	R	C	C	152.53	2.47	16.45	19.40	116.66	-134.74	-95.27	141.19	72.19	19.09	8.72	46.50	14.86	10.40	3.55	5.27	0.07	10.20	9.15
35	A	C	T	67.01	8.74	12.26	22.03	108.90	-95.97	-62.89	132.88	80.79	6.23	12.98	8.58	11.54	60.20	3.83	9.15	0.06	4.32	2.31
36	G	C	T	49.75	4.73	16.51	22.21	98.33	21.37	85.11	-3.09	82.83	5.03	12.14	11.21	12.80	58.97	2.76	9.09	0.02	4.11	1.06
37	Q	C	C	97.42	6.77	17.26	24.84	104.44	91.62	-92.27	3.54	66.46	22.64	10.90	42.94	13.86	9.86	3.51	7.61	0.06	17.51	4.66
38	I	E	E	47.41	17.51	12.69	29.31	116.44	84.82	-97.04	128.39	40.65	54.37	4.98	29.43	6.57	2.82	3.54	2.28	0.07	36.92	18.36
39	A	C	C	46.24	11.20	17.56	29.07	114.66	-148.88	-92.78	141.86	58.02	37.05	4.94	39.93	12.91	5.94	2.41	2.65	0.03	32.20	3.93
40	S	C	C	62.89	8.07	19.34	28.05	117.81	-128.43	-107.12	141.84	69.35	27.85	2.80	42.15	22.14	6.31	0.99	1.90	0.01	22.28	4.20
41	S	C	C	42.42	13.98	16.40	30.35	122.43	-137.94	-108.16	140.24	89.61	10.01	0.38	71.45	17.83	0.66	0.18	0.22	0.00	8.39	1.27
42	P	C	C	43.57	14.78	15.55	30.45	112.81	-106.36	-67.65	149.85	85.57	9.32	5.11	73.66	7.31	4.14	2.21	2.90	0.00	6.95	2.83
43	R	C	C	113.50	7.88	18.99	27.35	112.21	-118.97	-85.01	129.74	83.42	9.34	7.24	72.99	5.96	3.85	3.13	4.11	0.00	4.81	5.15
44	T	H	G	53.11	16.15	13.13	28.29	96.66	-139.91	-69.69	-27.04	39.83	3.49	56.68	24.98	6.77	9.05	6.22	49.86	0.00	2.41	0.70
45	E	H	G	138.44	2.98	18.58	22.25	93.68	66.55	-71.06	-22.13	32.31	3.30	64.39	8.70	7.46	18.49	6.81	55.36	0.02	2.52	0.64
46	D	H	G	85.44	6.53	18.50	25.74	98.34	49.32	-94.98	5.29	32.60	3.35	64.06	10.33	7.52	17.06	5.51	56.40	0.04	2.42	0.73
47	C	C	C	17.14	21.71	11.75	32.56	114.79	115.02	-85.31	128.81	75.79	13.31	10.90	58.01	11.66	5.08	4.94	6.55	0.01	7.97	5.78
48	V	C	T	63.27	9.40	22.06	31.79	113.39	-155.86	-96.76	125.71	72.49	19.01	8.51	21.37	13.85	38.26	5.14	3.32	0.27	11.44	6.34
49	G	C	T	25.34	11.15	21.34	32.64	100.33	7.00	87.87	0.65	84.53	8.10	7.37	17.38	23.61	44.53	3.65	3.23	0.05	5.24	2.31
50	C	C	C	16.68	20.86	14.04	34.16	97.30	130.49	-69.65	-18.53	88.02	2.55	9.43	76.76	7.96	2.71	8.62	1.49	0.00	1.09	1.37
51	K	H	H	130.68	3.27	21.63	25.54	92.88	73.98	-61.94	-40.91	24.73	0.60	74.68	5.65	6.07	14.81	68.94	3.73	0.22	0.29	0.30
52	R	H	H	116.09	5.72	21.37	27.46	92.29	50.23	-67.02	-38.54	18.95	0.73	80.32	3.54	3.57	13.10	74.54	4.25	0.26	0.49	0.26
53	C	H	H	5.67	23.53	13.70	37.12	92.45	51.05	-67.19	-39.62	10.32	1.20	88.48	4.35	1.95	4.96	82.25	5.16	0.07	1.04	0.22
54	E	H	H	81.33	13.19	17.78	30.57	91.74	57.04	-63.78	-37.36	9.01	1.25	89.74	3.36	1.44	4.81	83.74	5.23	0.08	1.13	0.21
55	T	H	H	102.38	1.37	22.11	21.68	93.09	51.29	-72.23	-30.18	14.75	0.79	84.46	2.82	1.85	10.31	80.24	3.83	0.13	0.63	0.19
56	A	H	H	39.13	11.24	16.92	28.82	95.88	47.38	-82.11	-23.31	24.27	0.70	75.03	3.21	4.57	17.76	71.43	2.11	0.24	0.32	0.36
57	C	C	C	12.61	21.30	9.98	30.43	112.24	52.38	-112.25	101.39	98.11	0.98	0.91	65.94	30.96	1.15	0.76	0.18	0.00	0.35	0.65
58	P	C	T	91.40	3.66	17.96	22.47	93.88	-169.20	-66.73	-21.04	87.91	1.16	10.93	25.17	17.66	45.18	5.50	5.29	0.00	0.79	0.41
59	T	C	T	76.32	5.67	16.52	23.09	100.76	48.97	-96.46	-4.10	81.40	2.79	15.81	8.69	24.58	48.85	8.05	6.79	0.04	2.31	0.69
60	D	C	C	88.63	8.60	17.62	26.89	97.16	-118.44	55.08	41.27	75.72	7.50	16.78	41.49	18.41	15.91	7.88	9.03	0.02	5.87	1.41
61	F	C	C	50.79	15.23	16.61	31.97	98.45	141.93	-90.95	-17.40	62.28	21.60	16.12	40.49	14.77	7.24	9.53	6.26	0.03	20.13	1.56
62	L	E	E	27.54	20.89	15.01	35.03	121.35	67.15	-112.47	131.29	27.69	58.18	14.13	19.75	5.35	3.86	9.47	4.57	0.04	55.38	1.58
63	S	E	E	48.44	8.59	22.62	31.67	125.15	149.99	-120.16	139.38	18.99	71.63	9.38	14.58	2.52	1.70	6.59	2.53	0.00	71.39	0.68
64	I	E	E	44.79	18.70	14.80	32.95	121.97	-158.48	-115.74	130.34	15.43	77.31	7.26	12.35	1.35	0.84	6.06	1.26	0.00	77.73	0.42
65	R	E	E	114.77	6.87	18.99	27.04	120.42	-165.74	-114.33	130.65	12.99	80.65	6.36	10.49	1.02	0.70	5.50	1.05	0.00	80.90	0.33
66	V	E	E	50.16	13.08	13.45	27.47	119.79	-160.58	-110.98	128.74	15.20	78.74	6.06	12.20	1.41	0.90	4.95	1.22	0.00	78.90	0.42
67	Y	E	E	113.04	6.43	13.74	21.95	117.16	-158.74	-106.66	126.51	23.94	70.15	5.91	18.63	3.36	1.93	4.66	1.61	0.00	68.99	0.82
68	L	E	E	93.63	6.50	10.69	18.88	114.10	-166.66	-106.32	121.78	44.85	48.14	7.01	24.50	10.83	10.81	4.45	2.77	0.02	45.42	1.20
69	G	C	T	54.20	2.30	11.84	15.06	112.98	-48.59	81.80	-145.10	80.73	12.43	6.84	26.84	20.79	33.01	3.66	3.03	0.01	11.69	0.98
70	A	C	T	91.37	1.73	10.22	12.83	107.86	-26.54	-90.29	60.35	84.16	5.56	10.28	25.18	24.71	34.49	5.12	4.86	0.01	4.72	0.92
71	E	C	C	139.78	2.50	9.42	13.72	115.53	120.71	-99.18	133.48	63.98	23.80	12.22	29.62	18.84	16.81	6.89	4.88	0.06	20.94	1.97
72	T	C	C	92.46	3.81	9.51	15.38	119.39	-155.71	-106.12	136.97	50.92	37.91	11.17	36.48	8.60	5.62	7.15	4.01	0.02	36.09	2.02
73	T	E	E	88.63	5.16	9.41	16.59	118.84	-158.29	-110.17	135.27	43.02	43.20	13.78	30.77	7.14	5.44	9.10	4.73	0.03	41.02	1.78
74	R	E	E	151.82	3.67	11.19	16.89	121.02	-159.88	-111.84	138.35	39.38	45.01	15.62	26.15	7.46	6.62	9.64	5.70	0.03	42.85	1.56
75	S	C	E	76.34	4.78	10.02	16.78	117.88	-141.08	-100.41	138.45	43.34	40.82	15.84	29.31	7.35	7.36	8.99	6.38	0.03	38.77	1.81
76	M	C	C	120.64	4.80	9.76	16.33	113.47	-161.96	-106.84	123.32	55.36	31.41	13.23	33.27	10.76	12.03	7.42	5.48	0.05	28.99	1.99
77	G	C	C	49.31	3.84	10.68	16.05	116.72	-122.85	50.85	159.05	63.76	28.17	8.07	33.36	16.00	15.35	3.48	4.19	0.03	25.99	1.60
78	L	C	C	118.13	3.85	8.57	14.23	112.96	-113.81	-93.83	125.36	60.63	28.75	10.62	39.55	11.34	10.47	4.90	5.49	0.04	25.68	2.53
79	A	C	C	79.61	3.28	8.84	13.96	116.00	-158.74	-100.96	134.00	67.80	23.66	8.54	55.08	3.82	8.41	4.68	3.35	0.01	21.32	3.33
80	Y	C	C	148.55	5.58	10.81	17.93	113.05	-142.49	-93.59	126.12	98.72	1.03	0.24	98.58	0.19	0.20	0.17	0.02	0.00	0.76	0.08