# 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 A C C 12.95 22.08 17.77 39.16 116.24 -158.54 -93.92 136.52 99.65 0.35 0.01 99.59 0.13 0.02 0.00 0.00 0.00 0.23 0.02 1 R E E 105.17 8.69 23.16 32.22 123.98 -162.29 -117.42 136.55 13.92 85.95 0.13 13.32 0.58 0.08 0.09 0.05 0.00 73.17 12.70 2 I E E 21.24 21.01 14.16 34.86 117.00 -159.89 -115.09 122.12 6.58 93.15 0.27 3.93 1.68 0.47 0.22 0.14 0.00 78.55 15.00 3 A C T 46.92 12.34 15.98 29.11 94.52 -20.09 53.95 42.60 99.12 0.51 0.37 0.41 2.18 96.75 0.02 0.25 0.00 0.30 0.08 4 G C T 57.95 2.64 18.14 20.95 94.70 -47.99 81.85 2.56 99.71 0.09 0.20 0.39 2.53 96.85 0.01 0.16 0.00 0.06 0.01 5 V E E 44.67 13.70 12.29 26.74 122.86 108.03 -110.20 139.01 9.27 90.61 0.11 4.43 4.48 0.57 0.06 0.07 0.00 73.13 17.26 6 E E E 125.15 3.79 20.90 25.30 109.41 -126.91 -83.37 119.60 33.75 66.21 0.04 28.93 3.52 0.26 0.01 0.03 0.00 64.20 3.05 7 I C C 12.29 23.55 10.23 33.36 116.56 -160.58 -98.41 129.43 94.30 5.67 0.03 92.81 1.95 0.05 0.01 0.01 0.00 4.72 0.45 8 P C C 59.73 5.09 21.66 27.18 112.01 -110.86 -66.45 140.32 97.99 1.86 0.15 97.06 0.87 0.32 0.02 0.09 0.00 1.11 0.51 9 R C T 112.91 13.56 13.58 26.82 92.33 -128.55 -63.59 -25.16 99.20 0.23 0.57 1.92 11.83 85.45 0.06 0.50 0.00 0.12 0.12 10 N C T 117.78 2.80 19.58 22.44 94.84 56.59 -87.83 1.40 99.04 0.50 0.45 3.88 7.41 87.77 0.04 0.44 0.00 0.36 0.09 11 K C C 58.83 14.33 14.82 29.65 118.88 115.87 -77.63 146.02 96.61 3.21 0.18 66.39 30.18 0.35 0.07 0.11 0.00 1.74 1.17 12 R E B 86.32 10.47 24.42 34.86 115.40 -109.46 -75.51 144.21 10.98 88.93 0.09 8.11 0.17 0.01 0.08 0.00 0.00 4.93 86.70 13 V H H 3.24 26.46 18.36 45.78 91.49 -119.97 -58.91 -39.88 1.78 0.01 98.21 0.12 0.11 1.47 94.49 3.80 0.00 0.00 0.00 14 D H H 34.37 18.25 23.76 40.73 91.04 55.75 -62.87 -40.12 0.62 0.00 99.37 0.02 0.02 0.61 95.95 3.39 0.00 0.00 0.00 15 V H H 42.94 9.68 27.19 37.88 91.71 49.88 -65.54 -40.88 0.24 0.00 99.76 0.01 0.01 0.23 95.51 4.24 0.00 0.00 0.00 16 A H H 3.01 23.28 22.35 45.47 91.65 51.27 -64.52 -41.99 0.57 0.00 99.42 0.03 0.03 0.49 93.64 5.81 0.00 0.00 0.00 17 L H H 2.49 26.47 20.80 47.48 91.17 52.37 -65.66 -35.41 2.78 0.02 97.20 0.09 0.13 2.75 75.40 21.61 0.01 0.01 0.01 18 T H H 47.02 14.01 23.26 36.91 91.27 60.19 -69.22 -23.19 18.48 0.03 81.48 0.27 0.43 19.44 55.34 24.44 0.03 0.02 0.02 19 Y C T 88.13 12.87 23.64 36.39 93.58 59.54 -80.01 -12.98 50.66 0.09 49.25 0.73 2.15 49.41 30.08 17.47 0.04 0.04 0.09 20 I C S 8.18 24.66 16.82 41.64 115.02 88.72 -89.40 130.64 92.65 2.93 4.42 8.29 77.60 4.97 4.75 0.36 0.10 0.49 3.45 21 Y C T 89.49 13.74 23.69 36.45 107.99 -98.08 -67.68 119.32 97.51 0.47 2.02 0.74 8.99 88.26 0.75 0.67 0.00 0.17 0.41 22 G C T 34.72 9.66 22.83 32.76 95.90 10.15 85.96 -1.74 99.52 0.06 0.42 1.63 10.45 87.55 0.14 0.18 0.00 0.03 0.02 23 I C C 10.69 23.70 13.05 36.79 117.68 116.10 -101.80 127.38 97.23 2.40 0.37 77.18 18.27 0.82 0.24 0.11 0.00 0.52 2.85 24 G C C 28.56 6.15 23.71 29.75 126.62 -153.68 -90.51 166.95 99.64 0.19 0.17 98.30 1.28 0.12 0.12 0.01 0.00 0.04 0.13 25 K H H 110.96 11.72 15.99 27.78 92.05 -99.31 -59.97 -37.87 2.43 0.00 97.56 0.45 0.39 1.27 97.61 0.28 0.00 0.00 0.00 26 A H H 71.38 1.95 22.60 23.12 91.85 52.10 -64.11 -41.11 1.77 0.00 98.22 0.28 0.16 1.12 98.00 0.44 0.00 0.00 0.00 27 R H H 79.47 11.40 20.66 32.09 92.15 47.82 -66.57 -40.38 0.52 0.00 99.47 0.12 0.04 0.27 99.26 0.30 0.00 0.00 0.00 28 A H H 2.33 25.52 14.77 40.75 91.03 51.55 -62.50 -43.35 0.12 0.00 99.88 0.02 0.01 0.05 99.89 0.03 0.00 0.00 0.00 29 K H H 96.02 9.09 23.43 32.67 91.27 50.76 -63.11 -41.24 0.07 0.00 99.93 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 E H H 93.51 3.30 25.89 28.49 91.41 50.15 -63.61 -42.67 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 31 A H H 4.00 20.84 19.09 40.52 91.47 49.80 -63.75 -43.60 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 32 L H H 9.05 22.42 16.99 39.28 91.76 49.69 -63.13 -42.66 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 33 E H H 130.82 2.65 21.69 24.57 91.57 50.07 -63.43 -40.50 0.35 0.00 99.65 0.02 0.01 0.27 99.54 0.17 0.00 0.00 0.00 34 K H H 123.91 4.74 19.90 25.52 91.47 51.35 -66.50 -31.88 2.56 0.00 97.43 0.04 0.06 2.58 97.03 0.29 0.00 0.00 0.00 35 T H H 21.43 18.77 13.76 32.45 95.67 44.26 -92.36 -4.05 37.69 0.01 62.30 0.24 0.86 37.24 60.88 0.76 0.01 0.00 0.01 36 G C T 55.26 2.05 22.82 24.56 94.58 -116.10 75.08 21.71 99.92 0.00 0.07 3.24 1.16 95.56 0.02 0.01 0.00 0.00 0.00 37 I C C 13.85 23.34 10.33 33.09 119.44 145.23 -93.08 137.27 99.49 0.48 0.02 95.72 3.61 0.03 0.01 0.00 0.00 0.08 0.55 38 N C C 82.74 4.49 24.77 29.02 109.41 -121.66 -81.16 122.42 99.88 0.10 0.01 99.65 0.23 0.02 0.00 0.00 0.00 0.02 0.06 39 P C T 40.56 19.55 13.41 32.63 91.65 -146.18 -64.14 -20.86 99.86 0.04 0.10 0.54 2.55 96.82 0.01 0.06 0.00 0.02 0.01 40 A C T 76.30 3.65 21.51 25.99 92.63 60.25 -88.65 -2.36 99.91 0.04 0.06 0.45 2.10 97.38 0.00 0.05 0.00 0.02 0.00 41 T C C 28.71 14.03 15.14 30.65 117.71 116.25 -70.93 143.51 99.37 0.61 0.02 66.79 32.60 0.11 0.00 0.01 0.00 0.23 0.26 42 R E B 86.96 8.08 23.97 32.37 118.72 -118.84 -80.33 148.77 17.98 81.99 0.02 14.95 0.16 0.00 0.02 0.00 0.00 4.22 80.64 43 V H G 8.11 25.19 13.33 39.14 90.65 -116.77 -58.29 -36.61 9.42 0.05 90.53 0.44 0.67 6.62 0.42 91.82 0.00 0.04 0.00 44 K H G 114.71 8.18 20.37 29.41 89.71 63.63 -66.94 -19.98 8.92 0.02 91.06 0.10 0.40 7.03 0.26 92.20 0.00 0.01 0.00 45 D H G 91.31 4.15 21.54 26.22 94.46 56.27 -92.35 -2.69 9.09 0.03 90.88 0.49 0.90 5.57 0.31 92.71 0.00 0.01 0.01 46 L C C 11.43 24.20 8.13 31.03 116.65 108.86 -75.57 138.84 99.32 0.43 0.26 67.23 31.75 0.19 0.09 0.13 0.00 0.07 0.54 47 T C C 68.18 2.84 21.40 23.30 123.61 -136.35 -85.65 165.44 99.61 0.28 0.10 99.03 0.57 0.03 0.08 0.01 0.00 0.04 0.26 48 E H H 130.18 4.95 14.39 21.42 90.72 -102.86 -57.83 -38.62 0.95 0.00 99.05 0.14 0.15 0.53 98.97 0.20 0.00 0.00 0.00 49 A H H 72.21 1.69 19.21 19.73 91.30 53.06 -64.08 -40.17 0.34 0.00 99.66 0.03 0.02 0.23 99.51 0.20 0.00 0.00 0.00 50 E H H 38.65 14.39 16.44 31.36 92.03 48.73 -66.01 -40.47 0.13 0.00 99.87 0.02 0.01 0.08 99.71 0.19 0.00 0.00 0.00 51 V H H 13.23 19.87 15.40 35.41 91.48 50.97 -63.04 -43.04 0.06 0.00 99.94 0.01 0.00 0.03 99.91 0.04 0.00 0.00 0.00 52 V H H 74.11 3.33 22.85 25.68 91.28 50.56 -63.58 -41.74 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 53 R H H 105.52 5.35 22.53 28.10 91.52 50.26 -64.55 -41.44 0.23 0.00 99.77 0.01 0.00 0.19 99.73 0.06 0.00 0.00 0.00 54 L H H 4.36 24.21 16.40 40.94 91.62 50.13 -63.95 -42.84 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 55 R H H 86.15 13.81 20.34 33.45 91.46 52.11 -62.08 -41.89 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 56 E H H 104.08 2.03 23.07 23.31 91.54 50.30 -64.13 -41.97 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 57 Y H H 45.97 10.89 18.16 30.53 91.85 49.01 -64.88 -42.09 0.44 0.00 99.56 0.05 0.02 0.30 99.53 0.11 0.00 0.00 0.00 58 V H H 10.62 21.39 12.97 34.15 92.67 48.35 -65.95 -40.85 1.31 0.00 98.68 0.17 0.10 0.91 98.51 0.31 0.00 0.00 0.00 59 E H H 107.46 6.46 16.41 23.89 92.72 49.39 -69.19 -32.81 7.49 0.01 92.49 0.52 0.41 6.33 91.98 0.73 0.01 0.01 0.01 60 N H H 119.52 1.23 17.41 17.35 98.74 35.67 -89.72 -29.93 32.05 0.03 67.92 0.88 1.56 29.03 67.35 1.13 0.02 0.01 0.03 61 T C H 72.98 6.22 15.24 22.55 104.92 25.62 -109.49 -20.03 50.25 0.16 49.59 4.31 5.28 38.54 50.22 1.46 0.02 0.05 0.11 62 W C C 68.05 16.59 11.14 27.01 120.44 48.72 -122.19 128.00 91.08 3.12 5.80 66.35 18.96 5.51 4.80 1.43 0.00 1.70 1.24 63 K C C 129.86 4.32 18.91 24.52 116.92 -156.07 -101.46 126.74 85.72 10.94 3.34 81.53 2.76 1.72 2.48 0.86 0.00 7.59 3.05 64 L C C 48.76 16.81 10.95 27.14 116.87 -163.04 -99.97 134.54 75.51 15.56 8.92 67.35 4.62 2.86 8.03 1.77 0.01 10.87 4.48 65 E C H 118.00 4.90 15.80 21.73 111.49 -131.19 -79.20 132.70 55.27 5.65 39.08 31.74 10.07 13.68 33.76 5.44 0.11 3.87 1.32 66 G H H 44.41 3.85 16.36 20.93 107.43 23.96 81.73 -76.48 49.13 1.63 49.24 16.81 14.27 19.78 41.55 6.00 0.13 0.78 0.68 67 E H H 106.14 4.82 17.01 22.43 101.53 33.02 -76.87 2.34 35.52 0.83 63.65 23.56 4.62 8.01 58.20 4.85 0.01 0.45 0.30 68 L H H 34.44 16.98 13.08 29.80 93.91 86.24 -65.17 -39.30 10.37 0.18 89.45 6.47 1.47 2.88 87.30 1.73 0.00 0.09 0.06 69 R H H 114.70 9.35 17.89 27.77 92.05 53.65 -63.35 -40.67 2.38 0.03 97.59 1.26 0.32 0.83 97.02 0.56 0.00 0.01 0.01 70 A H H 61.16 2.89 20.59 22.96 92.04 50.38 -65.11 -40.55 1.01 0.01 98.98 0.44 0.12 0.41 98.74 0.29 0.00 0.00 0.00 71 E H H 82.80 7.53 20.24 28.36 92.19 49.72 -65.92 -41.09 0.63 0.00 99.37 0.22 0.06 0.29 99.25 0.18 0.00 0.00 0.00 72 V H H 20.38 18.09 16.86 34.93 91.73 49.53 -64.19 -42.58 0.56 0.00 99.44 0.16 0.05 0.28 99.37 0.13 0.00 0.00 0.00 73 A H H 43.63 7.58 20.70 29.01 91.59 51.14 -63.08 -41.63 0.61 0.00 99.39 0.12 0.04 0.35 99.37 0.12 0.00 0.00 0.00 74 A H H 51.73 3.14 22.66 25.24 91.61 50.28 -64.16 -41.24 0.69 0.00 99.31 0.11 0.04 0.42 99.31 0.11 0.00 0.00 0.00 75 N H H 33.52 13.87 19.69 33.91 91.99 50.09 -65.23 -40.94 0.98 0.00 99.02 0.12 0.05 0.67 99.07 0.10 0.00 0.00 0.00 76 I H H 26.54 18.24 17.95 35.91 91.83 50.93 -63.68 -41.92 0.39 0.00 99.61 0.05 0.02 0.23 99.65 0.05 0.00 0.00 0.00 77 K H H 119.25 3.05 23.25 25.94 91.58 50.98 -63.59 -41.37 0.26 0.00 99.74 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 78 R H H 108.10 4.92 21.72 26.85 91.86 49.49 -64.98 -40.93 0.42 0.00 99.58 0.04 0.02 0.29 99.56 0.09 0.00 0.00 0.00 79 L H H 14.13 18.93 14.56 33.84 91.80 50.90 -64.22 -41.45 0.44 0.00 99.56 0.05 0.03 0.28 99.45 0.20 0.00 0.00 0.00 80 M H H 79.25 10.75 16.86 27.99 92.22 50.83 -64.46 -40.46 0.90 0.00 99.10 0.09 0.05 0.64 98.72 0.50 0.00 0.00 0.00 81 D H H 113.34 1.45 19.82 20.40 91.57 51.93 -66.58 -30.78 4.86 0.00 95.13 0.14 0.19 4.41 94.81 0.44 0.00 0.00 0.00 82 I H H 73.06 9.23 15.65 25.84 94.63 49.02 -86.70 -8.64 35.01 0.04 64.95 0.60 1.83 31.61 65.28 0.62 0.02 0.01 0.03 83 G C T 39.78 6.45 19.76 27.06 97.66 -106.97 82.67 14.52 99.02 0.08 0.90 20.56 6.20 72.38 0.65 0.15 0.00 0.03 0.03 84 C C C 20.84 16.67 14.09 31.29 119.05 151.91 -78.41 151.38 95.84 1.31 2.85 86.80 7.83 0.64 2.77 0.29 0.00 0.28 1.39 85 Y H H 99.66 10.01 21.60 32.32 92.81 -119.12 -63.15 -36.69 9.65 0.06 90.30 1.46 2.25 6.21 88.73 1.26 0.03 0.02 0.04 86 R H H 82.63 12.73 21.12 33.45 92.45 54.13 -65.16 -41.61 4.58 0.02 95.40 0.45 0.47 3.54 94.28 1.23 0.01 0.01 0.01 87 G H H 7.95 13.26 17.73 32.66 91.99 51.41 -64.07 -42.22 2.93 0.02 97.04 0.62 0.32 1.82 95.46 1.75 0.00 0.01 0.00 88 L H H 49.52 7.88 20.17 29.29 91.85 50.06 -64.34 -42.23 1.85 0.02 98.13 0.41 0.24 1.07 97.13 1.14 0.00 0.01 0.00 89 R H H 61.94 9.36 17.29 28.10 92.39 49.92 -64.76 -42.09 2.16 0.03 97.80 0.47 0.27 1.35 96.63 1.26 0.01 0.01 0.01 90 H H H 65.81 11.85 14.75 27.23 92.43 49.89 -64.92 -41.08 2.22 0.02 97.76 0.30 0.16 1.59 95.27 2.67 0.00 0.01 0.00 91 R H H 135.01 6.22 16.03 23.61 91.22 52.05 -66.02 -30.35 8.21 0.02 91.77 0.34 0.38 7.44 89.12 2.68 0.02 0.01 0.01 92 R C T 139.65 3.65 15.45 19.99 93.59 49.73 -90.01 0.80 65.17 0.03 34.80 0.39 1.16 64.94 31.32 2.15 0.01 0.01 0.03 93 G C T 56.31 2.16 16.20 18.85 95.24 -106.04 81.74 12.21 99.78 0.00 0.21 1.26 1.20 97.42 0.09 0.03 0.00 0.00 0.00 94 L C C 58.24 9.86 11.29 22.89 118.04 140.76 -89.35 138.18 99.75 0.22 0.03 92.71 6.97 0.08 0.01 0.01 0.00 0.06 0.14 95 P C C 72.99 5.34 18.11 24.26 112.82 -104.73 -65.50 145.81 98.87 0.92 0.21 95.28 3.17 0.42 0.06 0.10 0.00 0.32 0.64 96 V C C 46.10 16.76 11.49 27.52 117.22 -149.35 -102.85 138.16 84.44 14.16 1.39 74.04 7.24 1.43 0.67 0.63 0.00 2.86 13.14 97 R C S 138.68 5.77 16.03 22.83 109.15 -102.02 -76.68 121.33 86.49 4.88 8.63 24.83 31.69 30.84 3.66 4.17 0.02 2.28 2.52 98 G C T 42.86 6.42 14.16 21.48 100.32 2.04 80.42 -0.66 85.05 2.06 12.89 18.76 29.84 37.30 5.86 6.03 0.02 0.89 1.30 99 Q C C 103.98 6.07 13.22 20.57 98.71 107.72 -76.86 -21.08 71.05 1.78 27.16 29.21 23.42 19.38 17.71 8.34 0.04 0.71 1.19 100 R C C 147.97 3.82 14.54 19.41 98.70 58.49 -84.53 -8.33 65.58 2.48 31.93 36.91 15.19 14.27 24.52 6.61 0.04 1.07 1.40 101 T C H 58.59 9.02 11.63 21.82 103.08 82.79 -81.93 -18.75 50.98 2.05 46.97 30.26 12.17 9.78 39.71 6.16 0.04 0.97 0.92 102 R H H 145.45 4.50 14.76 20.40 97.52 54.54 -71.64 -28.86 45.88 1.51 52.60 23.91 11.72 11.70 45.39 5.85 0.05 0.75 0.63 103 T H H 70.32 5.11 14.89 21.12 99.76 53.44 -74.94 -35.63 45.98 1.29 52.74 24.54 10.75 12.00 45.81 5.68 0.04 0.60 0.59 104 N H H 68.15 7.30 13.97 22.59 95.47 60.08 -71.72 -30.83 44.87 1.11 54.02 25.28 9.57 11.65 46.08 6.36 0.03 0.50 0.54 105 A H H 45.00 9.82 11.89 22.76 94.86 61.83 -68.68 -28.06 43.27 1.12 55.61 22.07 8.74 13.88 44.97 9.22 0.04 0.55 0.53 106 R H H 149.53 3.62 13.99 18.80 94.88 61.99 -73.69 -19.72 48.05 1.55 50.39 24.23 10.18 15.21 40.23 8.63 0.05 0.75 0.73 107 T C H 92.99 3.08 13.03 17.14 99.35 50.30 -91.78 -3.64 57.89 1.96 40.15 29.12 13.61 16.61 31.95 6.78 0.04 0.85 1.02 108 R C C 119.71 7.70 8.69 17.65 115.71 97.68 -85.69 137.75 81.17 1.49 17.34 47.50 22.56 10.75 14.62 3.03 0.00 0.57 0.97 109 K C C 163.63 1.37 11.65 13.76 107.69 -142.64 -87.66 89.63 90.59 1.77 7.65 56.78 23.77 9.84 5.71 1.95 0.00 0.70 1.24 110 G C C 39.00 4.87 9.55 16.17 128.10 -23.95 -114.35 176.71 96.93 1.44 1.63 48.63 44.53 3.97 0.67 0.82 0.00 0.62 0.76 111 P C C 104.67 2.50 10.49 14.43 109.68 -56.91 -70.04 142.80 95.04 1.61 3.35 63.78 18.90 12.38 0.81 2.49 0.00 0.86 0.77 112 R C C 170.44 2.76 8.32 13.06 111.51 -130.57 -87.89 129.02 95.05 2.41 2.54 86.71 2.97 5.89 0.76 1.23 0.00 1.24 1.21 113 K C C 154.29 2.45 11.25 15.38 109.94 -132.16 -85.70 122.27 99.84 0.11 0.04 99.46 0.27 0.17 0.01 0.01 0.00 0.05 0.03