#	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	113.11	5.96	12.99	20.49	116.70	-154.56	-95.19	133.12	99.44	0.54	0.01	99.50	0.12	0.03	0.00	0.00	0.00	0.28	0.05
1	Q	C	C	114.28	5.47	10.42	17.69	116.58	-149.60	-95.90	135.88	81.83	14.61	3.55	78.88	1.26	2.18	1.81	1.30	0.00	9.27	5.28
2	S	C	C	66.08	5.62	9.87	17.13	114.40	-139.20	-88.42	144.37	80.81	9.39	9.80	62.41	9.91	8.33	3.78	5.98	0.00	6.94	2.64
3	D	C	C	110.76	3.43	11.83	16.85	102.69	-142.56	-86.61	0.05	75.11	5.21	19.68	35.17	18.51	22.83	5.18	13.50	0.01	3.30	1.49
4	D	C	C	101.09	4.16	13.41	18.91	104.90	70.77	-89.47	25.99	72.76	6.07	21.17	28.61	19.85	26.18	5.79	13.86	0.03	3.91	1.76
5	I	C	C	66.16	12.33	11.72	24.41	111.01	100.36	-96.93	104.92	71.14	13.50	15.36	35.31	19.53	18.37	4.55	9.74	0.04	9.13	3.32
6	G	C	C	33.91	8.17	16.42	25.44	120.70	127.64	-112.27	154.85	78.22	19.02	2.76	52.13	17.27	8.76	0.68	2.12	0.00	17.38	1.64
7	M	E	E	65.61	12.65	13.30	26.59	125.71	-160.67	-122.08	144.09	48.26	51.12	0.62	38.86	7.48	1.49	0.14	0.51	0.00	50.13	1.39
8	K	E	E	119.63	5.03	15.52	22.21	121.17	-148.91	-110.12	138.05	5.70	94.22	0.08	5.03	0.40	0.05	0.09	0.02	0.00	53.27	41.13
9	N	C	C	48.03	10.87	9.55	21.42	123.55	-133.33	-83.23	173.28	92.25	7.68	0.07	92.09	0.72	0.16	0.01	0.04	0.00	5.96	1.01
10	S	C	T	98.53	1.36	11.27	13.48	91.07	-91.65	-64.42	-20.31	98.29	1.14	0.57	1.25	4.60	92.47	0.01	0.60	0.00	0.94	0.13
11	S	C	T	86.22	1.35	11.28	12.82	93.16	55.71	-87.74	-1.40	99.27	0.14	0.59	0.56	4.12	94.57	0.01	0.64	0.00	0.09	0.02
12	G	C	S	46.81	3.63	11.57	16.89	97.19	-104.68	86.47	6.58	98.63	0.76	0.61	13.63	83.00	2.20	0.04	0.48	0.00	0.46	0.20
13	V	C	C	72.07	5.53	12.69	20.20	117.34	138.22	-84.86	139.70	90.14	9.77	0.09	83.80	6.52	0.25	0.03	0.06	0.00	6.56	2.78
14	V	E	E	72.97	8.78	14.98	25.17	114.82	-129.60	-92.46	129.65	4.04	95.92	0.03	3.69	0.22	0.01	0.05	0.01	0.00	55.45	40.56
15	V	E	E	35.06	14.86	14.41	30.04	123.02	-169.02	-115.73	138.21	45.76	54.07	0.17	42.01	2.32	0.31	0.05	0.11	0.00	53.97	1.22
16	D	C	C	68.69	9.51	19.95	29.94	113.59	-131.11	-88.76	127.14	64.73	34.71	0.56	54.28	8.11	1.48	0.15	0.45	0.00	33.35	2.17
17	A	C	C	28.97	17.51	16.88	34.02	105.23	-163.46	-93.08	28.28	76.75	22.04	1.20	45.14	26.07	6.48	0.30	1.04	0.00	18.00	2.97
18	Y	C	C	83.15	12.51	20.65	33.24	117.82	126.06	-101.99	127.71	72.89	26.27	0.84	42.13	27.46	4.51	0.26	0.74	0.00	18.34	6.56
19	I	C	C	41.48	16.37	17.86	34.31	118.53	-162.96	-110.31	124.67	80.12	19.55	0.33	58.59	21.65	0.78	0.16	0.22	0.00	14.98	3.63
20	P	C	C	43.56	12.16	18.08	31.03	111.37	-112.55	-66.86	141.86	82.98	13.95	3.07	74.77	5.15	2.50	1.41	1.63	0.00	11.01	3.54
21	R	C	C	122.81	9.41	16.28	26.24	96.93	-134.87	-69.46	-25.87	67.99	9.97	22.04	28.40	27.65	13.52	9.03	11.83	0.19	5.81	3.57
22	K	C	C	126.45	4.00	18.32	23.09	99.41	63.63	-78.81	0.09	55.37	20.08	24.56	22.73	20.21	14.71	9.71	13.16	0.81	11.50	7.17
23	C	C	C	36.67	13.22	12.45	26.19	103.00	56.00	-87.34	10.99	53.62	24.73	21.66	33.64	11.46	7.87	10.13	11.27	0.24	11.82	13.57
24	S	C	C	47.42	10.68	13.21	24.51	101.32	77.93	-76.06	-34.82	67.27	13.13	19.60	32.52	13.94	21.61	8.65	9.76	0.27	6.14	7.11
25	A	C	T	77.82	4.48	14.92	20.10	94.82	48.59	-71.15	-24.57	84.33	1.48	14.19	5.51	16.51	62.68	5.36	8.10	0.03	0.85	0.97
26	T	C	T	78.78	4.58	14.92	20.47	99.46	44.62	-96.20	0.04	87.83	1.24	10.92	6.12	18.68	63.60	3.74	6.36	0.01	0.69	0.79
27	N	C	C	99.02	7.42	14.20	22.80	96.02	-119.66	61.15	31.77	91.03	5.94	3.03	37.32	33.02	21.02	0.64	2.38	0.00	3.07	2.55
28	R	C	C	111.90	7.65	16.20	25.07	120.53	144.12	-103.98	141.82	84.45	14.35	1.20	63.68	16.72	3.60	0.38	0.95	0.00	8.44	6.23
29	L	C	C	76.84	10.65	17.37	28.55	112.17	-124.83	-83.32	128.42	72.78	26.51	0.71	57.83	13.30	1.76	0.26	0.54	0.00	13.33	12.97
30	I	C	C	36.33	16.38	13.52	30.16	120.81	-156.92	-106.36	134.50	74.28	25.30	0.42	60.56	12.61	0.78	0.22	0.25	0.00	13.06	12.51
31	G	C	C	24.20	6.95	18.02	26.05	127.80	-153.00	-98.46	170.76	85.94	13.50	0.55	70.72	13.72	1.12	0.26	0.33	0.00	6.81	7.05
32	P	C	T	92.41	6.94	12.99	21.33	92.48	-93.22	-61.29	-30.05	85.95	0.69	13.35	2.68	11.49	71.92	1.64	11.39	0.01	0.39	0.48
33	K	C	T	168.91	0.81	16.39	15.62	95.78	46.56	-79.79	-13.87	86.81	0.58	12.61	2.58	10.66	73.69	1.67	10.67	0.00	0.32	0.40
34	D	C	S	64.62	9.72	13.49	24.03	104.36	50.71	-106.44	12.61	71.03	12.17	16.79	22.16	26.48	23.63	3.19	12.11	0.19	5.53	6.71
35	H	C	C	90.01	11.63	16.19	27.81	98.89	-145.97	-71.00	21.41	70.77	14.60	14.63	38.75	13.05	19.48	3.58	10.76	0.06	8.41	5.90
36	A	C	C	36.61	12.87	17.19	30.50	98.83	120.77	-75.66	-10.67	71.31	14.27	14.41	32.68	20.66	19.78	2.25	11.71	0.05	10.31	2.55
37	A	C	C	40.08	11.95	20.47	32.46	113.14	78.15	-92.41	118.94	56.78	32.75	10.47	35.90	12.20	10.03	1.55	8.56	0.02	29.96	1.79
38	V	E	E	30.77	17.56	17.63	35.07	123.58	133.33	-113.83	137.03	21.90	77.51	0.59	18.60	2.89	0.61	0.17	0.40	0.00	76.25	1.07
39	Q	E	E	83.20	10.55	21.82	32.66	121.91	-157.16	-111.12	133.52	6.21	93.72	0.07	5.71	0.44	0.07	0.04	0.04	0.00	92.85	0.85
40	L	E	E	32.13	19.13	17.00	35.95	124.95	-170.17	-121.90	136.21	6.78	93.20	0.03	6.41	0.31	0.03	0.01	0.01	0.00	92.97	0.26
41	S	E	E	42.85	9.91	22.53	33.10	115.33	-133.17	-91.02	129.61	8.18	91.79	0.03	7.45	0.55	0.06	0.00	0.02	0.00	91.58	0.34
42	V	E	E	26.95	19.42	17.47	36.55	104.61	-170.89	-106.15	-2.71	11.40	88.49	0.11	9.62	1.65	0.19	0.03	0.07	0.00	87.75	0.69
43	A	E	E	19.90	14.54	18.22	33.36	131.28	-8.74	-126.89	154.70	14.28	85.62	0.09	11.47	2.57	0.23	0.02	0.06	0.00	85.33	0.33
44	R	E	E	122.14	6.76	21.02	28.52	117.21	-124.20	-93.67	132.34	9.92	90.03	0.05	8.07	1.45	0.13	0.01	0.03	0.00	90.08	0.22
45	V	E	E	36.80	15.51	10.99	26.85	124.83	-163.02	-115.00	144.41	5.73	94.23	0.03	5.30	0.47	0.03	0.03	0.01	0.00	78.89	15.27
46	N	C	C	63.15	4.36	13.80	19.71	124.22	-125.97	-81.77	174.78	95.78	4.18	0.04	95.85	0.48	0.09	0.01	0.02	0.00	3.16	0.41
47	D	C	T	133.01	1.13	11.08	12.94	90.22	-87.13	-63.87	-19.86	99.17	0.35	0.48	0.70	4.93	93.61	0.03	0.42	0.00	0.26	0.04
48	K	C	T	162.59	0.66	12.95	12.20	92.99	54.33	-89.30	1.77	99.45	0.10	0.45	0.51	4.88	94.10	0.02	0.41	0.00	0.06	0.02
49	G	C	S	33.48	8.97	10.57	20.84	96.58	-105.09	84.94	7.40	98.81	0.66	0.53	20.21	75.77	2.94	0.05	0.44	0.00	0.38	0.22
50	K	C	C	105.74	3.66	15.88	20.93	118.66	137.97	-85.31	144.25	91.46	8.37	0.17	85.19	5.82	0.62	0.06	0.11	0.00	6.38	1.84
51	M	E	E	72.69	12.88	12.03	25.46	114.01	-114.87	-79.49	133.21	6.12	93.82	0.06	5.30	0.38	0.04	0.07	0.02	0.00	61.41	32.78
52	I	E	E	61.57	9.91	12.64	24.22	115.53	-145.52	-95.51	132.53	39.43	60.38	0.19	36.15	2.22	0.36	0.04	0.15	0.00	59.86	1.21
53	E	C	E	135.75	3.53	14.73	19.50	111.00	-113.94	-77.92	128.53	60.78	37.20	2.02	32.65	19.67	9.47	0.24	1.94	0.00	34.98	1.05
54	N	C	S	111.62	4.09	14.82	20.01	100.12	10.88	52.19	15.68	69.34	28.16	2.50	14.74	35.66	19.36	0.14	2.39	0.00	26.74	0.97
55	N	C	E	87.87	6.36	15.13	22.56	105.10	98.15	-99.91	60.62	59.68	37.98	2.33	32.23	17.33	10.48	0.18	2.37	0.00	36.68	0.72
56	Y	E	E	82.13	14.80	13.60	28.19	121.82	105.93	-108.30	137.52	32.62	67.14	0.24	27.12	4.37	0.63	0.04	0.20	0.00	67.01	0.63
57	V	E	E	48.02	11.90	19.72	32.37	122.81	-163.80	-118.85	133.65	3.69	96.30	0.01	3.39	0.18	0.02	0.00	0.00	0.00	96.26	0.14
58	T	E	E	37.16	16.27	20.09	36.16	120.63	-152.05	-107.10	132.59	0.87	99.13	0.00	0.81	0.02	0.00	0.00	0.00	0.00	99.13	0.03
59	F	E	E	26.01	18.26	22.25	40.35	127.42	-170.85	-125.56	140.83	1.09	98.90	0.00	1.02	0.04	0.00	0.00	0.00	0.00	98.90	0.04
60	A	E	E	16.46	18.59	24.52	42.69	119.05	-143.24	-104.11	132.05	4.78	95.20	0.03	4.30	0.28	0.02	0.01	0.01	0.00	95.26	0.13
61	F	E	E	17.94	21.26	22.17	42.84	122.88	-166.18	-113.10	134.64	20.24	79.65	0.12	19.05	0.83	0.10	0.05	0.06	0.00	78.26	1.65
62	C	C	C	20.69	15.82	20.72	36.59	127.91	-143.42	-101.76	165.06	78.65	20.10	1.25	74.63	3.41	0.44	1.09	0.27	0.00	18.54	1.62
63	G	H	H	30.84	8.91	20.69	30.31	93.66	-89.71	-57.52	-43.29	7.39	0.07	92.54	0.87	1.54	5.17	89.44	2.87	0.05	0.03	0.03
64	A	H	H	51.40	5.32	21.58	27.31	91.70	51.63	-64.76	-39.17	3.08	0.04	96.89	0.37	0.38	2.33	93.68	3.18	0.02	0.02	0.01
65	I	H	H	15.52	18.51	14.47	33.34	92.12	50.17	-65.91	-41.44	2.09	0.05	97.85	0.37	0.28	1.43	93.70	4.15	0.01	0.04	0.01
66	R	H	H	86.47	13.86	14.66	28.37	91.60	52.13	-63.20	-39.94	4.09	0.08	95.83	0.73	0.49	2.83	92.15	3.67	0.05	0.05	0.02
67	S	H	H	88.00	1.55	17.13	18.47	90.85	54.20	-67.67	-26.55	22.94	0.13	76.93	1.38	1.62	20.14	73.70	2.91	0.10	0.06	0.08
68	R	C	T	150.29	2.91	14.79	18.54	95.59	53.47	-87.46	-2.38	69.26	0.19	30.55	1.72	4.72	60.90	30.35	2.06	0.03	0.07	0.16
69	G	C	T	48.84	4.41	15.50	21.27	99.36	-105.95	82.87	7.47	95.60	0.48	3.92	10.69	15.07	70.02	2.85	0.89	0.00	0.21	0.26
70	G	C	C	31.79	10.29	15.45	26.28	107.62	122.92	-75.92	108.30	95.47	1.24	3.29	76.99	11.68	6.78	2.04	1.13	0.00	0.55	0.83
71	V	C	C	47.28	16.49	14.84	30.39	103.95	109.83	-95.97	11.40	88.98	1.04	9.98	80.39	5.15	3.13	9.00	1.26	0.00	0.38	0.68
72	D	H	H	73.44	9.90	18.72	28.67	96.30	99.70	-68.33	-39.25	21.75	0.13	78.12	16.09	2.79	3.11	76.94	0.99	0.00	0.04	0.06
73	S	H	H	68.93	3.23	21.77	24.63	93.56	50.02	-66.99	-36.77	3.80	0.01	96.19	1.15	0.47	2.04	94.94	1.38	0.00	0.01	0.01
74	A	H	H	28.50	11.23	19.01	31.15	92.18	53.55	-65.04	-41.54	1.55	0.01	98.44	0.44	0.16	0.86	97.07	1.45	0.00	0.01	0.00
75	F	H	H	27.18	20.17	17.94	37.58	91.98	50.75	-63.72	-42.82	0.63	0.00	99.37	0.15	0.06	0.36	98.83	0.60	0.00	0.00	0.00
76	M	H	H	74.00	9.06	21.28	30.72	91.69	50.91	-63.78	-41.66	0.56	0.01	99.43	0.14	0.05	0.31	99.27	0.23	0.00	0.00	0.00
77	L	H	H	76.60	3.73	22.87	26.36	91.57	50.38	-63.77	-42.60	0.44	0.01	99.55	0.09	0.03	0.26	99.45	0.15	0.00	0.00	0.00
78	L	H	H	24.31	13.72	18.63	33.51	92.05	49.19	-64.24	-42.92	0.31	0.00	99.68	0.07	0.03	0.19	99.57	0.14	0.00	0.00	0.00
79	A	H	H	11.38	15.98	15.02	32.16	91.99	49.74	-63.69	-42.11	0.43	0.01	99.56	0.09	0.03	0.27	99.43	0.18	0.00	0.00	0.00
80	Q	H	H	106.49	3.57	17.43	21.73	92.62	48.79	-65.40	-41.22	0.98	0.01	99.01	0.12	0.06	0.73	98.76	0.32	0.00	0.00	0.00
81	E	H	H	128.34	2.62	16.58	19.71	91.97	50.42	-66.39	-34.87	4.43	0.01	95.56	0.11	0.13	4.26	95.18	0.31	0.00	0.00	0.00
82	H	C	T	90.82	8.21	13.25	22.70	94.21	46.79	-89.11	-1.81	72.96	0.04	27.00	0.46	1.15	70.20	27.53	0.61	0.00	0.01	0.03
83	G	C	T	50.65	3.00	16.16	19.96	95.41	-114.70	77.12	13.97	98.12	0.03	1.85	2.18	2.31	93.97	1.22	0.29	0.00	0.01	0.02
84	L	C	S	54.68	11.15	12.92	25.26	96.05	123.46	-79.35	-24.20	85.24	1.86	12.90	29.01	30.57	25.36	3.74	9.52	0.00	0.85	0.96
85	M	C	T	48.33	15.82	10.33	25.63	116.65	47.58	-111.31	126.48	63.12	11.26	25.62	17.99	17.73	29.55	5.21	18.52	0.40	5.69	4.89
86	E	C	T	131.23	3.38	14.15	18.89	110.90	-158.23	-88.90	129.99	73.01	5.79	21.20	23.36	16.09	34.20	3.28	17.81	0.03	3.73	1.51
87	R	C	C	174.36	2.30	14.12	17.46	105.08	-10.98	-77.06	85.70	81.83	3.12	15.04	45.32	5.46	31.23	2.43	12.43	0.00	2.24	0.90
88	L	C	C	77.69	12.27	10.49	22.91	113.06	-127.44	-91.88	121.41	99.72	0.25	0.03	99.56	0.21	0.05	0.01	0.00	0.00	0.14	0.03