#	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	109.32	6.71	18.14	25.38	109.99	83.87	-90.24	109.19	99.90	0.10	0.00	99.83	0.10	0.01	0.00	0.00	0.00	0.05	0.01
1	I	C	C	45.04	17.81	9.83	26.93	118.72	-141.74	-95.87	135.61	85.63	14.31	0.06	86.47	0.39	0.03	0.03	0.01	0.00	2.35	10.71
2	K	C	C	134.33	2.29	19.29	21.66	123.08	-152.29	-105.69	147.17	98.26	1.67	0.07	98.05	0.53	0.08	0.02	0.02	0.00	0.59	0.71
3	K	C	T	129.05	7.17	12.60	21.36	110.99	-91.13	-61.01	136.28	99.07	0.77	0.16	0.34	2.06	96.99	0.01	0.10	0.00	0.41	0.09
4	G	C	T	46.70	3.46	17.40	21.60	97.00	24.99	89.59	-6.40	99.56	0.38	0.06	0.40	2.15	97.10	0.00	0.06	0.00	0.27	0.01
5	S	C	C	31.36	10.83	13.97	26.71	118.32	133.31	-72.12	148.00	93.23	6.75	0.02	92.52	0.80	0.04	0.00	0.01	0.00	6.45	0.17
6	L	E	E	83.71	7.56	20.83	29.06	117.66	-127.38	-96.68	133.65	3.26	96.70	0.03	3.20	0.13	0.02	0.01	0.02	0.00	95.28	1.34
7	V	E	E	13.73	22.06	14.63	36.92	129.56	-173.29	-124.77	146.23	3.32	96.43	0.24	3.03	0.25	0.11	0.10	0.10	0.00	96.29	0.11
8	K	E	E	85.61	7.91	23.75	32.20	117.46	-135.82	-103.07	131.20	3.58	95.85	0.57	3.03	0.41	0.24	0.23	0.26	0.00	95.71	0.12
9	I	E	E	25.79	19.63	14.66	34.58	110.79	-133.41	-87.42	121.92	9.03	90.55	0.42	8.04	0.88	0.26	0.11	0.26	0.00	89.98	0.47
10	L	C	C	73.46	7.96	19.21	28.07	99.47	-177.46	-85.99	-27.16	61.61	37.69	0.70	41.14	18.19	1.74	0.12	0.60	0.00	37.47	0.75
11	R	C	C	88.38	8.55	15.89	25.59	118.50	35.73	-124.98	122.36	78.97	17.74	3.30	39.01	35.18	5.98	1.10	2.04	0.07	14.30	2.33
12	P	C	T	80.77	8.28	14.49	24.02	94.10	-143.11	-63.89	-25.53	83.47	5.16	11.38	27.17	20.27	36.86	1.97	9.04	0.02	3.29	1.38
13	E	C	T	123.61	3.64	17.08	21.28	94.58	61.87	-80.93	-9.53	81.99	4.13	13.88	20.58	22.22	39.97	2.52	10.67	0.03	2.28	1.74
14	S	C	C	27.29	13.79	12.60	27.16	106.83	82.07	-85.52	94.69	79.34	5.42	15.25	30.02	28.02	22.26	3.17	11.19	0.04	2.56	2.75
15	F	C	T	99.09	9.45	17.32	27.61	95.71	-136.95	-64.88	-7.10	77.90	6.52	15.58	16.33	25.14	37.85	3.37	10.80	0.09	3.88	2.54
16	W	C	T	71.42	14.56	16.27	31.02	97.82	95.27	-82.05	-11.81	70.50	15.42	14.08	16.75	22.02	33.64	3.24	9.54	0.23	10.32	4.26
17	Y	C	C	75.48	13.23	15.41	28.89	107.58	69.83	-91.20	90.28	61.98	25.05	12.97	34.68	14.90	13.80	3.42	9.09	0.14	18.11	5.86
18	N	C	C	102.45	5.67	19.29	25.64	98.02	-108.42	12.42	23.81	69.80	24.65	5.55	31.93	26.24	12.58	1.65	3.66	0.02	22.11	1.83
19	E	E	E	80.26	9.16	17.26	27.38	124.05	113.90	-106.38	147.05	47.84	48.09	4.07	28.64	13.91	7.06	1.51	2.53	0.02	44.79	1.53
20	V	E	E	72.88	10.98	17.82	29.27	120.65	-134.59	-102.18	138.10	26.96	71.98	1.06	22.89	2.77	0.79	0.66	0.45	0.00	71.53	0.91
21	G	E	E	13.62	13.14	18.55	32.52	141.45	147.13	-160.72	174.46	9.97	89.12	0.91	7.90	1.52	0.47	0.71	0.26	0.00	88.72	0.41
22	T	E	E	55.86	8.74	22.68	32.07	123.78	-92.61	-109.96	140.07	5.39	94.06	0.55	4.55	0.47	0.11	0.50	0.11	0.00	93.98	0.27
23	V	E	E	25.57	20.15	15.70	35.46	110.44	-136.51	-89.18	123.88	6.54	92.04	1.42	4.59	1.40	0.41	1.02	0.38	0.00	92.01	0.20
24	V	E	E	45.11	11.17	19.25	31.19	128.82	0.36	-125.76	148.16	5.17	93.64	1.19	3.54	1.09	0.39	0.85	0.27	0.00	93.66	0.19
25	N	E	E	70.18	9.33	18.72	28.90	124.90	-143.65	-116.05	141.05	5.54	93.73	0.73	4.46	0.50	0.18	0.55	0.18	0.00	93.94	0.19
26	V	E	E	47.38	12.46	12.69	26.25	122.07	-159.77	-117.16	135.51	10.20	88.94	0.85	8.43	1.23	0.44	0.60	0.30	0.00	88.39	0.61
27	E	E	E	111.17	4.71	12.91	19.34	115.24	-151.49	-103.33	126.44	28.34	70.88	0.78	22.39	4.40	1.38	0.29	0.49	0.00	70.37	0.68
28	T	E	E	79.64	5.41	9.70	16.79	118.22	-169.70	-115.45	122.99	47.57	50.63	1.80	31.94	10.46	6.51	0.43	1.40	0.00	47.86	1.39
29	S	C	T	92.62	1.38	10.80	12.54	100.78	-14.85	7.70	33.67	94.49	4.09	1.42	34.26	21.64	38.69	0.20	1.24	0.00	3.45	0.52
30	K	C	T	174.31	0.92	11.12	12.04	96.91	-51.45	58.33	10.21	95.73	3.08	1.19	29.99	25.54	40.15	0.12	1.20	0.00	2.61	0.38
31	V	E	E	76.93	5.03	8.92	16.10	119.66	107.93	-105.73	133.49	48.89	50.38	0.73	32.08	13.99	4.53	0.18	0.70	0.00	45.51	3.01
32	L	E	E	106.43	4.80	12.20	18.77	112.11	-143.90	-92.36	121.14	34.44	65.25	0.30	26.75	6.60	1.42	0.09	0.28	0.00	61.78	3.08
33	Y	E	E	97.42	8.05	13.96	23.52	125.24	170.22	-124.38	139.22	41.82	58.06	0.12	31.28	9.52	0.67	0.02	0.11	0.00	57.55	0.84
34	P	E	E	67.32	8.15	16.25	25.34	114.58	-110.37	-72.24	144.29	37.88	62.01	0.10	31.17	4.83	0.41	0.01	0.09	0.00	63.09	0.39
35	V	E	E	31.27	16.19	14.13	30.89	124.38	-160.24	-120.31	137.60	8.24	91.69	0.07	7.12	0.87	0.13	0.02	0.05	0.00	91.45	0.36
36	L	E	E	76.12	8.01	20.42	29.31	116.58	-144.90	-102.95	126.55	3.19	96.78	0.03	2.93	0.23	0.03	0.01	0.01	0.00	96.56	0.23
37	V	E	E	24.52	18.67	15.16	34.06	121.43	-167.96	-114.15	130.72	5.87	94.09	0.04	5.40	0.39	0.04	0.02	0.02	0.00	93.88	0.24
38	R	E	E	111.22	6.71	21.18	28.66	119.53	-159.26	-107.01	132.54	18.10	81.75	0.15	15.88	1.54	0.21	0.04	0.08	0.00	81.59	0.64
39	F	C	C	40.79	17.87	11.04	28.71	116.53	-145.53	-94.21	131.94	51.77	47.35	0.88	47.41	2.67	0.74	0.25	0.56	0.00	46.50	1.87
40	D	C	S	97.22	3.60	17.44	21.66	99.92	-162.30	-84.13	-22.80	78.54	20.16	1.29	29.97	37.14	11.78	0.18	1.15	0.00	18.60	1.18
41	K	C	S	129.39	3.28	16.18	20.02	124.04	14.09	-122.79	137.44	76.64	21.64	1.72	25.95	37.71	14.01	0.28	1.49	0.00	18.63	1.92
42	V	C	C	73.94	11.73	9.86	21.75	115.78	-150.26	-98.60	126.28	71.90	25.82	2.28	49.79	15.80	6.40	0.58	1.87	0.00	21.74	3.82
43	N	C	C	109.15	3.13	13.59	17.80	107.41	118.46	-104.89	89.40	75.44	22.97	1.59	55.24	12.60	7.06	0.36	1.42	0.00	19.66	3.66
44	Y	C	C	113.22	8.37	8.75	18.29	113.21	145.57	-111.76	121.50	68.53	28.60	2.87	47.81	13.71	6.51	0.93	2.26	0.01	19.77	8.99
45	S	C	T	90.97	1.81	11.64	14.59	111.98	-138.75	-86.40	124.73	81.40	14.98	3.63	20.26	18.12	44.18	0.84	2.64	0.02	11.03	2.92
46	G	C	T	60.21	1.70	13.05	15.31	100.50	7.28	82.08	1.57	86.32	10.31	3.37	15.58	26.29	45.05	0.54	2.66	0.01	8.31	1.55
47	L	C	C	87.00	7.50	9.80	18.80	118.21	117.96	-96.89	136.44	61.99	34.78	3.23	41.63	14.29	5.25	1.39	2.22	0.04	21.23	13.96
48	N	C	C	90.88	5.61	13.61	20.62	113.73	-141.29	-93.52	125.34	70.79	23.71	5.49	53.76	9.13	6.46	2.07	3.72	0.01	17.16	7.69
49	S	C	C	58.19	10.31	12.42	23.34	99.47	-158.17	-85.22	-5.50	73.05	8.35	18.60	36.32	15.53	22.35	3.13	15.04	0.02	5.26	2.35
50	T	C	T	83.63	6.23	14.97	22.17	99.74	80.38	-85.92	-2.02	76.73	5.29	17.98	21.77	21.41	34.55	2.73	14.56	0.03	3.07	1.87
51	N	C	C	95.82	5.66	16.16	22.70	103.49	61.51	-96.90	37.02	77.87	7.20	14.93	38.62	17.97	22.00	2.01	12.88	0.01	4.14	2.37
52	F	C	C	57.09	15.25	10.35	25.56	120.50	131.19	-98.34	142.10	83.14	16.14	0.72	73.88	7.38	0.81	0.36	0.38	0.00	6.29	10.89
53	S	C	C	47.38	5.09	18.67	24.35	125.59	-152.07	-104.05	160.13	95.60	4.02	0.39	94.39	1.66	0.28	0.14	0.18	0.00	2.02	1.33
54	L	H	G	96.23	10.45	12.57	23.70	92.17	-108.56	-60.76	-30.15	8.65	0.39	90.96	0.83	0.94	5.84	0.48	91.59	0.00	0.32	0.01
55	D	H	G	118.89	1.44	17.47	18.39	90.97	62.83	-73.61	-13.52	9.44	0.42	90.14	0.47	0.91	7.07	0.36	90.82	0.00	0.37	0.01
56	E	H	G	64.61	11.43	13.69	26.17	94.93	60.51	-90.06	-2.54	9.38	0.68	89.95	1.14	1.35	5.49	0.40	90.97	0.00	0.63	0.01
57	L	E	E	39.79	18.05	10.67	28.32	122.69	89.74	-103.03	138.28	15.55	83.94	0.52	13.45	2.70	0.18	0.16	0.29	0.00	82.34	0.89
58	V	E	E	74.29	6.14	18.44	25.66	121.38	-162.41	-115.71	134.61	3.38	96.58	0.04	3.08	0.18	0.02	0.02	0.01	0.00	96.50	0.18
59	E	E	E	110.62	8.17	14.87	24.30	114.29	-127.89	-82.87	130.90	4.68	95.24	0.08	4.41	0.18	0.03	0.04	0.03	0.00	94.92	0.38
60	I	E	E	68.78	10.79	10.84	22.62	119.23	-166.59	-108.38	140.24	41.27	57.96	0.77	37.09	2.63	0.43	0.32	0.38	0.00	58.44	0.70
61	K	C	C	150.68	2.20	14.68	17.85	113.62	-126.45	-94.85	130.78	61.46	36.53	2.01	51.94	7.41	1.30	0.81	1.14	0.00	35.92	1.48
62	V	C	C	81.19	8.57	9.12	18.79	119.08	-147.19	-99.12	143.30	79.67	16.05	4.29	70.55	6.75	2.18	1.88	2.20	0.01	14.43	2.00
63	E	C	C	130.56	3.21	11.90	16.60	112.96	-119.91	-82.64	134.94	89.11	6.37	4.51	79.78	7.07	2.46	2.05	2.21	0.00	4.61	1.81
64	I	C	C	113.42	4.64	9.26	15.71	113.75	-128.68	-89.00	134.90	87.61	5.48	6.91	74.80	8.65	4.00	3.30	3.51	0.00	3.23	2.51
65	K	C	C	143.64	3.11	9.66	14.54	113.54	-134.20	-89.86	131.68	87.41	3.93	8.67	66.08	13.69	7.53	3.88	4.71	0.00	2.19	1.92
66	S	C	C	78.94	3.34	8.97	14.15	113.29	-122.53	-87.35	138.23	88.22	2.68	9.09	56.87	21.44	10.06	3.44	5.43	0.00	1.43	1.31
67	D	C	C	114.40	2.26	9.94	13.52	107.49	-122.22	-84.95	98.36	88.28	2.64	9.09	59.98	19.52	8.86	3.58	5.32	0.00	1.35	1.38
68	T	C	C	95.27	3.55	8.78	14.14	111.38	116.66	-90.05	126.51	85.84	3.00	11.16	60.56	15.78	9.27	4.28	6.93	0.00	1.53	1.65
69	S	C	C	78.31	3.40	9.28	14.43	111.84	-108.84	-82.14	137.25	84.85	3.74	11.42	61.34	12.70	10.39	3.65	8.04	0.00	2.20	1.68
70	A	C	C	80.62	3.26	9.15	14.19	110.33	-107.61	-83.87	129.47	85.44	4.90	9.67	57.14	17.93	10.09	2.75	7.13	0.00	3.03	1.93
71	K	C	C	150.27	2.57	9.44	13.81	113.04	-118.77	-90.73	131.25	85.62	7.88	6.50	61.12	16.66	7.16	2.19	4.64	0.00	4.43	3.80
72	S	C	C	72.25	3.91	9.05	14.77	119.10	-130.71	-97.05	144.79	93.37	5.91	0.72	71.34	21.14	1.25	0.28	0.43	0.00	3.71	1.85
73	P	C	C	103.49	2.70	10.07	14.50	112.94	-103.97	-69.98	145.95	90.92	7.78	1.31	77.56	9.65	3.51	0.42	0.93	0.00	5.31	2.62
74	V	C	C	107.39	4.11	8.02	14.00	113.63	-123.88	-89.98	135.32	91.58	7.24	1.18	67.20	21.02	2.89	0.48	0.74	0.00	3.58	4.09
75	K	C	C	152.60	2.03	9.75	13.46	116.34	-129.78	-95.92	130.84	96.53	3.06	0.42	66.94	28.85	0.96	0.19	0.20	0.00	1.56	1.29
76	P	C	C	95.49	3.28	8.91	14.14	115.31	-107.53	-67.12	149.09	96.97	1.03	2.00	83.08	10.99	3.10	1.07	0.75	0.00	0.57	0.45
77	P	C	C	103.71	2.74	9.06	13.69	112.92	-102.34	-67.00	146.22	91.23	2.52	6.26	77.36	8.07	5.91	3.67	2.36	0.00	1.44	1.18
78	V	C	C	113.36	2.66	8.05	12.61	114.36	-123.38	-88.19	136.90	79.30	8.57	12.12	63.55	10.28	4.76	8.94	3.73	0.01	5.17	3.55
79	K	C	C	150.55	2.36	8.31	12.50	113.49	-129.54	-88.06	135.61	72.75	9.51	17.73	56.85	10.11	5.02	14.53	4.22	0.01	6.90	2.37
80	S	C	C	84.89	2.41	8.62	12.75	113.94	-140.22	-91.95	133.06	67.31	9.10	23.59	51.57	9.56	5.52	19.98	4.60	0.02	6.92	1.83
81	E	C	C	136.75	2.60	9.08	13.21	113.11	-148.86	-94.84	127.74	55.30	9.07	35.64	38.98	10.24	6.30	31.11	4.73	0.03	6.92	1.69
82	V	C	C	99.21	3.58	8.42	13.75	114.47	-143.95	-90.96	132.54	51.83	8.66	39.52	37.71	8.47	5.86	35.19	4.46	0.03	6.74	1.55
83	K	C	H	142.31	2.39	10.04	13.83	112.99	-148.00	-88.17	131.07	48.35	7.81	43.83	36.06	6.79	5.86	39.21	4.54	0.03	6.10	1.42
84	A	C	H	73.26	3.69	8.88	14.17	108.87	-126.70	-82.70	132.86	47.34	6.46	46.20	34.07	7.27	6.67	40.80	5.00	0.03	4.92	1.24
85	E	C	H	132.35	2.72	9.27	13.50	108.32	-137.24	-83.59	121.09	47.39	6.49	46.12	33.87	7.12	7.12	40.50	5.16	0.03	4.92	1.29
86	K	C	H	145.27	2.37	8.99	12.89	108.04	-131.89	-85.84	107.84	49.83	5.92	44.25	34.51	7.80	8.25	38.33	5.52	0.04	4.21	1.34
87	E	C	H	135.42	2.62	8.72	12.98	111.15	-146.78	-88.76	123.30	54.64	5.22	40.14	33.25	9.72	12.14	33.98	5.98	0.04	3.58	1.30
88	N	C	C	116.39	2.51	8.77	12.84	109.87	-130.97	-89.60	114.51	65.18	5.43	29.38	38.62	10.71	15.79	24.77	4.94	0.03	3.70	1.44
89	K	C	C	143.27	2.83	8.05	12.82	112.58	-154.84	-93.16	127.94	72.23	7.90	19.87	48.87	13.14	9.95	16.54	3.92	0.03	5.39	2.15
90	K	C	C	149.27	2.12	8.02	11.88	114.12	-141.38	-90.62	135.43	77.44	9.80	12.76	55.61	12.48	8.93	9.93	3.40	0.02	6.85	2.78
91	E	C	C	152.18	1.58	8.16	11.32	112.03	-124.35	-84.46	134.43	82.69	8.24	9.06	47.77	12.24	23.19	5.75	3.04	0.01	5.77	2.23
92	G	C	C	57.89	1.88	8.71	11.99	112.93	-40.23	-44.69	160.50	92.91	3.08	4.01	69.06	3.38	21.12	1.96	1.35	0.00	2.16	0.97
93	A	C	C	81.72	3.25	10.23	15.06	108.94	-81.58	-82.07	126.51	99.79	0.17	0.03	99.62	0.16	0.09	0.01	0.00	0.00	0.09	0.03