#	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	123.25	4.56	11.32	17.52	116.25	-152.30	-95.79	133.89	99.62	0.35	0.03	99.55	0.15	0.05	0.02	0.00	0.00	0.18	0.06
1	A	C	C	78.13	4.06	8.43	14.32	114.33	-131.52	-83.78	134.94	91.70	5.79	2.51	87.96	1.14	3.29	1.09	0.81	0.00	3.52	2.19
2	T	C	C	105.44	2.26	8.69	12.69	114.18	-156.27	-98.09	134.84	87.77	8.13	4.10	62.45	14.15	11.36	1.48	2.49	0.00	5.35	2.72
3	G	C	C	51.14	3.25	9.36	14.25	119.06	-149.68	-120.21	163.67	86.11	8.59	5.30	58.33	17.78	10.26	2.01	3.25	0.00	5.64	2.73
4	T	C	C	103.80	2.64	9.00	13.45	115.67	-126.83	-97.44	137.24	83.38	8.48	8.14	61.75	12.98	8.50	3.77	4.36	0.00	5.54	3.08
5	S	C	C	79.53	3.48	8.31	13.61	112.32	-149.96	-98.91	126.28	84.11	4.95	10.94	54.97	17.24	12.30	4.67	5.96	0.00	3.04	1.82
6	K	C	C	155.82	1.89	9.85	13.05	109.48	-149.67	-91.13	104.02	85.12	3.56	11.32	50.70	22.09	12.89	4.72	6.14	0.01	1.99	1.46
7	A	C	C	78.19	3.43	8.46	13.77	114.29	-137.35	-89.04	137.96	87.47	3.68	8.85	60.06	18.46	9.08	3.94	4.64	0.00	1.90	1.93
8	K	C	C	139.89	2.97	9.01	13.96	116.44	-133.41	-93.33	136.01	93.57	2.64	3.79	72.56	17.87	3.03	2.04	1.69	0.00	1.26	1.55
9	P	C	C	92.95	4.00	8.63	14.58	112.96	-111.20	-70.26	145.18	89.57	1.89	8.54	71.71	8.12	9.62	2.70	5.87	0.00	1.10	0.88
10	S	C	C	83.01	2.78	9.12	13.56	109.73	-123.09	-84.50	133.18	85.53	2.56	11.91	51.01	15.50	18.74	2.94	9.28	0.00	1.39	1.14
11	K	C	C	155.13	2.01	9.40	12.70	108.97	-136.07	-90.65	95.79	82.85	4.42	12.73	48.58	18.26	15.91	3.50	9.40	0.00	2.37	1.97
12	V	C	C	100.88	3.71	7.84	13.35	115.13	97.26	-96.54	129.79	84.07	5.12	10.81	54.65	18.10	11.14	4.61	6.26	0.01	2.66	2.58
13	N	C	C	112.15	2.85	9.55	13.90	112.33	-143.29	-92.40	118.82	85.59	2.73	11.68	54.34	18.30	12.87	4.98	6.70	0.00	1.38	1.43
14	S	C	C	76.97	3.58	8.63	13.96	106.88	-162.23	-86.05	66.17	75.82	2.07	22.10	40.32	17.45	18.44	6.59	15.09	0.00	1.03	1.07
15	D	C	C	108.74	2.32	10.08	13.62	103.04	88.98	-86.13	25.23	70.20	2.58	27.22	40.11	13.71	16.62	6.94	20.08	0.01	1.38	1.16
16	F	C	C	132.96	4.65	8.45	14.70	101.15	96.40	-84.71	3.17	69.55	4.08	26.37	40.15	13.87	16.09	7.27	18.59	0.01	2.24	1.77
17	Q	C	C	126.00	3.16	9.97	14.76	107.01	77.17	-89.12	37.44	75.30	5.03	19.67	43.65	18.89	13.23	6.91	12.11	0.02	2.50	2.69
18	E	C	C	124.98	3.34	9.96	15.16	115.04	92.10	-93.39	130.06	92.43	2.75	4.82	57.02	31.63	3.95	2.65	2.04	0.00	1.25	1.46
19	P	C	C	98.75	3.70	10.74	16.11	110.36	-114.07	-72.35	143.90	88.89	2.01	9.10	55.26	13.30	20.69	3.02	5.73	0.00	1.21	0.80
20	G	C	C	43.54	6.46	10.67	18.43	117.05	-105.39	-76.23	162.72	84.20	5.85	9.95	51.57	14.36	18.86	2.98	6.64	0.00	3.95	1.64
21	L	C	C	106.59	5.47	11.87	18.84	110.28	-97.98	-88.28	124.25	72.46	18.05	9.49	51.56	13.66	7.13	4.66	5.13	0.03	13.36	4.47
22	V	C	C	97.87	5.25	12.84	19.82	117.58	-148.40	-102.74	132.14	66.54	27.38	6.07	51.96	10.32	3.05	4.64	2.29	0.04	19.67	8.04
23	T	C	C	48.22	10.52	11.04	22.81	121.87	-166.29	-107.67	141.98	81.76	13.54	4.70	71.15	8.50	1.54	4.43	0.96	0.00	11.20	2.21
24	P	C	C	79.59	3.95	17.28	21.72	102.78	-112.07	-66.89	-30.26	56.89	12.30	30.80	45.92	6.10	4.44	29.62	2.38	0.02	8.83	2.67
25	L	H	H	69.21	10.78	13.75	25.11	93.94	39.76	-65.29	-37.65	12.04	0.38	87.57	4.47	2.07	6.46	79.41	7.13	0.07	0.25	0.14
26	G	H	H	24.18	9.78	13.82	24.92	92.76	54.63	-63.34	-40.20	6.22	0.16	93.62	1.72	0.89	3.77	84.12	9.31	0.03	0.11	0.05
27	T	H	H	84.21	2.93	17.65	20.74	93.03	50.63	-69.06	-35.12	4.55	0.11	95.35	1.10	0.62	2.79	84.81	10.56	0.02	0.07	0.03
28	L	H	H	79.53	6.60	15.89	23.46	93.69	49.86	-70.35	-35.63	10.53	0.18	89.28	1.46	1.32	7.85	81.11	7.95	0.13	0.11	0.09
29	L	H	H	56.91	12.07	13.32	25.91	95.95	49.78	-80.84	-22.43	23.48	0.38	76.14	3.57	3.88	17.17	70.21	4.54	0.23	0.17	0.25
30	R	H	H	123.40	6.40	15.33	23.16	94.13	73.13	-62.45	-43.20	18.47	0.40	81.13	5.95	2.69	9.02	53.32	28.59	0.04	0.24	0.14
31	P	H	H	77.51	2.92	17.06	20.05	93.68	49.51	-66.27	-35.12	16.90	0.45	82.65	5.12	2.05	8.43	55.00	28.95	0.03	0.30	0.12
32	L	H	H	68.94	7.64	14.36	23.35	94.32	52.61	-68.86	-36.49	13.64	0.49	85.87	4.48	2.23	6.52	57.17	29.11	0.04	0.30	0.13
33	N	H	H	60.83	9.63	12.70	23.48	94.00	53.53	-69.22	-33.38	26.55	1.61	71.84	13.30	5.11	9.40	54.80	15.79	0.08	0.92	0.60
34	S	H	H	70.41	3.10	14.19	18.19	93.86	58.37	-68.68	-30.61	35.71	1.68	62.60	11.55	6.38	17.78	44.45	17.98	0.20	0.97	0.70
35	E	H	H	127.48	2.71	12.98	16.68	95.29	56.64	-76.36	-17.82	42.11	2.88	55.01	11.39	7.52	22.92	37.99	16.92	0.34	1.73	1.18
36	A	C	T	65.15	5.80	10.26	17.61	99.75	65.36	-80.97	3.53	63.76	2.22	34.02	11.01	11.84	39.59	21.91	12.82	0.22	1.12	1.49
37	G	C	T	55.24	2.67	12.93	16.85	100.60	-92.90	78.43	8.07	83.64	2.39	13.97	20.76	14.68	48.76	6.78	6.59	0.02	1.41	1.00
38	K	C	C	133.19	3.62	12.60	17.79	110.67	108.07	-95.01	103.49	77.50	13.04	9.46	50.23	15.18	12.00	4.41	5.16	0.03	8.40	4.59
39	V	C	C	83.49	7.29	9.90	18.66	112.64	122.86	-94.65	124.18	74.17	21.31	4.51	52.13	16.84	4.27	2.81	2.03	0.02	11.23	10.66
40	L	C	C	99.21	4.66	11.62	17.99	115.78	-129.30	-93.61	136.66	86.70	11.14	2.15	63.71	18.66	4.33	0.93	1.27	0.00	7.94	3.15
41	P	C	T	101.00	3.28	12.24	17.06	109.92	-103.91	-67.26	140.51	89.77	4.07	6.16	32.29	22.54	35.91	1.92	3.67	0.01	2.44	1.23
42	G	C	C	54.06	2.85	12.58	16.66	108.01	22.70	84.59	-0.69	86.59	4.90	8.52	34.21	20.94	32.61	2.79	4.96	0.01	2.64	1.83
43	W	C	C	153.34	5.13	10.74	17.33	104.29	77.71	-87.84	18.61	71.58	7.61	20.81	30.01	19.06	24.08	9.23	10.07	0.17	3.63	3.74
44	G	C	C	41.97	5.16	13.84	20.13	109.54	-67.44	65.51	-17.88	70.08	7.22	22.69	26.15	20.47	25.35	11.77	9.30	0.21	3.78	2.97
45	T	C	C	66.15	7.25	12.54	21.09	103.31	60.12	-85.05	-0.42	61.72	6.24	32.05	38.21	12.32	11.85	24.07	7.57	0.09	3.24	2.66
46	T	H	H	70.26	5.73	13.22	20.43	97.61	93.89	-66.70	-40.28	17.63	0.81	81.56	11.19	4.79	3.23	78.75	1.44	0.02	0.35	0.24
47	V	H	H	98.07	2.09	15.51	17.56	93.03	51.13	-65.91	-39.35	6.35	0.52	93.13	2.96	1.04	2.76	91.26	1.49	0.02	0.37	0.10
48	L	H	H	87.49	3.77	15.31	19.87	92.95	48.65	-66.71	-40.72	4.16	0.70	95.15	2.02	0.60	1.78	93.53	1.38	0.02	0.58	0.10
49	M	H	H	68.18	7.79	13.70	23.06	92.29	50.81	-65.40	-40.73	2.32	0.32	97.37	1.29	0.32	0.85	96.61	0.63	0.00	0.25	0.04
50	A	H	H	52.80	3.95	15.58	20.68	92.27	51.86	-64.16	-41.13	1.73	0.23	98.04	0.86	0.19	0.68	97.74	0.29	0.00	0.21	0.02
51	V	H	H	84.26	2.19	17.00	18.76	92.01	49.76	-65.15	-41.37	0.76	0.14	99.11	0.28	0.07	0.36	98.97	0.16	0.00	0.14	0.01
52	F	H	H	93.96	5.03	15.78	21.99	92.33	49.99	-65.10	-41.39	0.48	0.09	99.43	0.22	0.05	0.20	99.36	0.09	0.00	0.09	0.01
53	I	H	H	77.97	5.75	15.33	22.40	92.08	50.53	-64.53	-41.08	0.30	0.02	99.68	0.09	0.02	0.15	99.68	0.05	0.00	0.02	0.00
54	L	H	H	92.55	2.45	16.64	19.11	91.88	50.74	-64.23	-41.18	0.15	0.00	99.85	0.03	0.01	0.08	99.85	0.03	0.00	0.00	0.00
55	L	H	H	90.53	2.80	16.80	19.70	91.89	50.31	-64.80	-41.32	0.14	0.00	99.85	0.02	0.01	0.09	99.85	0.03	0.00	0.00	0.00
56	F	H	H	94.24	5.56	15.80	22.51	92.17	49.85	-65.21	-41.01	0.17	0.00	99.83	0.02	0.01	0.11	99.84	0.03	0.00	0.00	0.00
57	A	H	H	52.76	4.11	15.89	21.06	91.89	50.81	-64.03	-40.95	0.21	0.00	99.79	0.02	0.01	0.13	99.80	0.03	0.00	0.00	0.00
58	A	H	H	60.24	2.35	16.90	18.99	91.72	50.84	-64.09	-41.29	0.28	0.00	99.72	0.03	0.01	0.19	99.72	0.04	0.00	0.00	0.00
59	F	H	H	104.19	3.84	16.42	21.00	91.83	50.18	-65.01	-40.99	0.36	0.00	99.64	0.04	0.02	0.25	99.64	0.06	0.00	0.00	0.00
60	L	H	H	77.21	5.40	15.59	22.14	91.74	50.93	-64.29	-40.82	0.26	0.00	99.74	0.03	0.01	0.17	99.74	0.05	0.00	0.00	0.00
61	L	H	H	86.72	3.15	16.67	20.26	92.02	50.88	-64.53	-41.06	0.25	0.00	99.75	0.03	0.01	0.17	99.72	0.07	0.00	0.00	0.00
62	I	H	H	88.27	2.90	16.93	20.02	91.91	49.97	-64.61	-42.08	0.33	0.00	99.67	0.04	0.02	0.22	99.64	0.08	0.00	0.00	0.00
63	I	H	H	77.81	4.69	16.03	21.80	92.03	49.40	-64.66	-41.58	0.40	0.00	99.60	0.06	0.02	0.26	99.53	0.12	0.00	0.00	0.00
64	L	H	H	75.59	4.87	15.38	21.48	92.01	50.63	-64.55	-41.11	0.61	0.01	99.38	0.08	0.03	0.42	99.12	0.34	0.00	0.00	0.00
65	E	H	H	100.16	3.35	15.72	19.81	92.19	50.83	-64.96	-40.04	1.82	0.01	98.16	0.17	0.10	1.46	97.56	0.69	0.00	0.01	0.00
66	I	H	H	92.93	3.13	15.54	19.25	92.90	49.01	-66.68	-40.61	4.24	0.04	95.72	0.42	0.32	3.39	94.92	0.92	0.01	0.02	0.01
67	Y	H	H	125.88	3.91	14.47	19.20	93.77	46.96	-70.36	-36.77	12.76	0.20	87.05	2.21	1.68	9.06	85.53	1.30	0.05	0.08	0.09
68	N	H	H	85.23	4.78	13.09	19.28	95.84	49.10	-81.86	-12.32	38.39	1.02	60.59	11.70	5.92	22.16	56.54	2.61	0.09	0.45	0.52
69	S	C	H	65.15	4.05	12.63	18.04	96.98	69.10	-76.44	-15.52	53.96	1.68	44.36	19.84	11.32	24.45	37.34	5.38	0.10	0.79	0.80
70	S	C	H	57.53	4.68	11.37	17.67	104.71	80.39	-81.69	26.83	53.03	2.79	44.18	23.88	11.35	19.59	33.58	8.80	0.15	1.44	1.22
71	L	H	H	111.85	2.83	10.69	14.91	96.55	74.14	-71.72	-26.48	45.29	4.72	50.00	15.11	11.26	20.11	33.44	15.03	0.53	2.89	1.63
72	I	H	H	122.26	1.95	10.99	13.78	97.42	55.59	-77.20	-28.82	44.95	8.63	46.42	14.22	10.47	21.09	29.80	15.00	1.25	5.64	2.52
73	L	C	H	105.92	3.51	9.27	14.35	101.95	53.60	-86.04	-0.33	48.02	10.41	41.56	17.54	12.25	19.46	24.40	15.21	1.35	6.21	3.58
74	D	C	T	101.74	3.22	10.15	14.91	103.42	77.57	-82.70	33.81	72.45	3.55	23.99	17.20	13.26	41.98	13.67	10.16	0.13	2.09	1.53
75	D	C	T	124.71	1.33	12.20	14.01	98.46	-60.55	40.02	31.35	86.54	3.18	10.29	27.16	15.44	45.15	3.67	5.60	0.01	2.03	0.92
76	V	C	C	74.58	7.05	8.21	17.04	116.53	146.34	-96.64	131.75	86.04	11.03	2.93	70.01	12.43	3.04	1.66	1.36	0.00	7.28	4.22
77	S	C	C	83.70	2.04	14.08	16.95	113.57	-138.94	-92.03	129.27	86.16	11.74	2.10	77.91	5.14	2.65	1.10	0.91	0.00	8.88	3.40
78	M	C	C	88.84	10.39	9.07	20.13	113.19	-161.98	-102.32	119.10	89.63	7.93	2.44	77.44	10.03	1.94	1.70	0.85	0.00	4.75	3.28
79	S	C	C	56.01	3.13	14.63	18.52	123.92	175.30	-105.72	163.86	92.06	3.52	4.42	80.83	9.24	1.50	4.34	0.66	0.00	1.53	1.90
80	W	H	H	162.11	4.54	11.45	17.72	92.88	-106.20	-61.24	-35.43	10.18	0.16	89.66	2.34	1.73	6.45	81.47	7.80	0.06	0.09	0.06
81	E	H	H	130.19	1.49	13.70	15.17	92.45	54.07	-65.20	-38.72	7.29	0.10	92.61	1.18	0.82	5.14	82.77	9.96	0.04	0.07	0.03
82	T	H	H	59.79	4.46	11.67	17.90	93.07	50.62	-66.76	-38.82	6.01	0.13	93.86	1.31	0.76	3.80	82.28	11.70	0.02	0.10	0.03
83	L	H	H	79.86	5.99	10.25	17.95	93.22	53.23	-67.24	-35.27	8.68	0.23	91.09	2.31	1.29	5.23	81.82	9.10	0.04	0.15	0.06
84	A	H	H	71.64	2.87	11.36	15.46	94.15	57.33	-72.02	-21.04	32.41	0.89	66.70	6.34	4.01	22.54	59.77	6.25	0.18	0.52	0.40
85	K	C	H	147.28	1.84	10.85	13.61	98.90	64.04	-82.42	-8.75	53.65	1.92	44.43	14.00	7.15	33.22	38.55	5.07	0.13	1.00	0.87
86	V	C	C	99.50	4.09	7.63	13.47	108.64	84.38	-89.58	97.28	77.02	2.23	20.75	61.20	2.58	12.41	19.62	1.93	0.01	1.10	1.14
87	S	C	C	84.97	2.38	10.80	14.74	112.07	-147.95	-90.01	127.99	99.82	0.13	0.05	99.64	0.13	0.10	0.03	0.00	0.00	0.07	0.02