# 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 98.29 9.65 13.96 24.24 117.65 -159.24 -93.22 133.84 99.46 0.51 0.04 99.37 0.19 0.07 0.01 0.01 0.00 0.28 0.07 1 S C C 73.12 5.12 12.90 19.67 117.53 -158.89 -98.39 145.54 87.94 7.64 4.42 77.52 2.55 7.97 1.57 2.33 0.00 5.36 2.69 2 G C C 47.69 5.56 12.11 19.11 112.15 -84.90 84.42 -26.28 86.79 7.52 5.68 46.08 21.19 20.04 1.27 4.50 0.00 4.72 2.20 3 R C C 155.44 4.30 13.36 19.07 107.00 31.19 -88.16 68.29 83.79 8.53 7.68 41.19 20.99 22.41 1.83 5.77 0.01 4.98 2.82 4 G C C 38.94 8.53 12.07 21.41 112.12 17.94 80.26 159.62 85.75 6.79 7.45 44.58 21.19 20.46 1.87 5.59 0.00 3.79 2.50 5 K C C 141.84 3.98 14.31 19.65 107.10 -81.31 -86.67 100.38 84.58 7.06 8.36 46.60 17.90 20.34 2.25 6.11 0.01 3.83 2.98 6 G C C 48.99 5.11 14.04 20.49 107.79 12.36 81.28 0.18 86.60 5.30 8.10 37.70 22.16 27.33 1.87 6.03 0.01 2.76 2.14 7 G C C 40.78 8.16 12.63 21.66 113.87 -43.02 84.51 29.62 85.54 5.69 8.76 41.61 23.31 20.99 2.05 6.64 0.01 2.91 2.48 8 K C C 140.48 3.91 14.51 19.83 109.21 -114.49 -93.27 99.48 81.53 8.46 10.01 41.68 20.32 20.27 2.83 6.88 0.02 4.38 3.63 9 G C C 43.47 6.66 13.17 20.94 113.43 -57.87 76.91 -153.37 84.46 6.40 9.14 42.08 21.03 21.91 2.48 6.46 0.01 3.39 2.65 10 L C C 101.31 7.49 12.57 20.95 106.36 -55.35 -87.01 60.27 82.26 7.23 10.51 36.40 21.08 25.85 3.54 6.31 0.02 3.71 3.08 11 G C C 43.24 5.57 13.21 20.09 113.64 -0.63 70.99 -151.14 84.57 4.86 10.57 35.23 24.88 25.44 3.89 5.97 0.02 2.34 2.24 12 K C C 150.45 2.75 13.66 17.63 106.70 -57.14 -82.31 88.72 76.97 3.59 19.45 28.77 22.26 27.00 10.14 8.21 0.05 1.61 1.96 13 G C T 49.77 3.86 13.70 18.65 105.18 11.18 57.87 -16.45 74.05 1.87 24.08 22.34 20.37 32.35 14.59 8.33 0.04 0.82 1.15 14 G C C 37.96 6.92 13.46 21.53 106.89 15.07 -2.84 -53.74 61.35 1.75 36.91 27.54 16.76 18.61 26.10 9.19 0.05 0.73 1.01 15 A H H 51.74 9.02 12.34 22.33 105.34 32.04 -77.71 57.58 43.59 2.31 54.09 25.17 9.99 10.72 43.40 8.54 0.06 1.21 0.90 16 K H H 124.77 4.12 15.32 20.53 103.92 54.48 -76.01 -6.67 34.19 2.84 62.97 22.23 6.45 7.93 53.13 7.58 0.05 1.75 0.87 17 R H H 130.18 5.18 15.51 21.78 100.98 51.44 -73.05 -31.74 27.05 2.30 70.64 18.31 4.81 6.35 62.58 5.81 0.03 1.49 0.62 18 H H H 75.24 12.22 13.95 26.45 98.44 53.87 -75.49 -35.62 22.51 1.46 76.03 15.85 3.55 5.17 69.94 4.16 0.01 0.93 0.38 19 R H H 112.69 9.68 15.74 25.91 97.68 56.55 -68.24 -37.49 12.94 0.81 86.24 8.66 2.03 3.40 81.90 3.27 0.01 0.57 0.17 20 K H H 116.71 4.19 18.18 22.81 96.50 51.33 -68.75 -37.17 9.33 0.99 89.69 5.52 1.48 3.17 85.32 3.52 0.02 0.80 0.17 21 I H H 62.74 9.44 16.18 26.71 97.55 50.66 -70.85 -38.32 8.38 1.17 90.45 4.58 1.30 3.13 86.08 3.67 0.02 1.04 0.17 22 L H H 46.89 14.83 14.12 28.97 96.74 51.17 -70.44 -36.01 10.16 1.07 88.76 5.37 1.63 3.97 83.70 4.19 0.03 0.89 0.21 23 R H H 120.94 8.42 16.91 25.86 96.03 53.90 -70.44 -33.84 14.34 0.81 84.85 5.74 2.36 7.12 78.72 5.20 0.06 0.57 0.23 24 D H H 92.26 4.37 17.60 22.70 97.54 52.06 -76.52 -23.47 24.02 0.54 75.44 5.71 3.58 15.22 68.15 6.68 0.13 0.31 0.23 25 N H H 75.96 9.67 16.78 26.73 100.87 44.50 -91.15 3.78 39.08 0.75 60.17 9.55 5.58 24.63 51.89 7.45 0.12 0.40 0.38 26 I C H 38.03 19.10 11.80 29.60 101.68 81.00 -89.34 9.43 54.66 3.88 41.46 24.39 8.50 23.22 30.92 8.88 0.16 2.06 1.86 27 Q C T 120.35 4.56 17.38 23.47 106.00 119.77 -73.07 104.04 79.08 2.51 18.42 12.03 7.46 58.53 14.08 5.18 0.08 1.45 1.17 28 G C T 49.10 4.67 19.04 24.20 99.24 23.20 82.92 -2.36 90.60 1.20 8.19 12.68 11.47 66.85 3.85 3.89 0.01 0.79 0.46 29 I C C 26.88 20.91 10.28 30.24 114.92 114.28 -90.69 126.76 94.34 4.08 1.58 78.85 14.00 1.13 1.14 0.50 0.00 1.67 2.71 30 T C C 67.47 4.50 21.97 26.21 123.60 -148.16 -91.20 159.53 95.72 2.77 1.51 93.01 2.30 0.44 1.36 0.18 0.00 0.86 1.85 31 K H H 102.81 11.93 14.83 26.88 92.78 -104.17 -59.07 -39.99 3.10 0.02 96.88 0.86 0.64 1.42 96.68 0.39 0.00 0.01 0.01 32 P H H 76.22 2.71 20.34 22.51 91.74 52.23 -63.43 -39.46 1.70 0.01 98.29 0.36 0.17 1.03 97.93 0.50 0.00 0.01 0.00 33 A H H 26.55 9.34 17.80 28.88 91.95 50.69 -64.75 -40.80 0.68 0.01 99.31 0.18 0.07 0.36 98.93 0.46 0.00 0.01 0.00 34 I H H 13.75 20.46 14.84 35.30 92.08 49.88 -64.80 -42.04 0.50 0.01 99.49 0.14 0.06 0.24 99.34 0.20 0.00 0.01 0.00 35 R H H 111.49 7.72 20.29 28.52 91.60 51.00 -63.46 -41.11 0.90 0.02 99.08 0.25 0.10 0.47 99.01 0.14 0.00 0.01 0.00 36 R H H 124.04 2.68 21.88 23.73 91.99 50.05 -64.66 -41.79 1.32 0.04 98.63 0.32 0.17 0.75 98.51 0.20 0.01 0.02 0.01 37 L H H 33.57 12.06 17.04 30.38 92.33 50.04 -65.13 -41.46 2.07 0.10 97.82 0.56 0.29 1.20 97.41 0.44 0.01 0.05 0.02 38 A H H 21.70 14.62 13.58 28.85 92.21 51.53 -64.65 -39.38 4.87 0.12 95.01 1.12 0.46 3.18 94.11 1.01 0.01 0.08 0.03 39 R H H 162.04 2.24 17.10 19.86 92.59 50.98 -66.90 -34.85 12.41 0.19 87.40 1.56 1.12 9.70 85.93 1.47 0.05 0.10 0.07 40 R H H 156.80 2.44 14.89 17.97 96.16 53.73 -75.92 -18.93 36.32 0.31 63.37 2.34 3.60 30.20 61.24 2.17 0.12 0.14 0.18 41 G C T 44.08 6.64 13.04 20.71 99.73 36.00 -83.79 -1.80 71.71 0.24 28.05 3.26 7.31 59.34 27.49 2.29 0.03 0.09 0.19 42 G C T 51.89 3.16 15.62 19.48 99.64 -112.24 80.69 9.78 96.30 0.62 3.08 32.42 16.86 47.41 1.33 1.41 0.00 0.34 0.23 43 V C C 48.80 14.81 8.90 23.27 114.89 135.10 -89.87 129.61 89.84 5.81 4.35 79.91 7.13 2.81 1.98 2.22 0.00 3.72 2.22 44 K C C 152.72 2.16 17.17 19.76 103.02 -162.31 -89.04 -15.87 85.83 8.78 5.39 60.91 19.38 5.98 1.85 3.37 0.01 7.05 1.45 45 R C C 149.32 4.32 16.49 22.04 117.53 -3.59 -113.90 131.81 68.69 25.02 6.29 53.01 10.13 5.23 2.48 3.91 0.02 21.82 3.41 46 I C C 50.04 16.81 9.79 25.72 118.44 -163.27 -108.09 126.23 62.48 33.35 4.17 55.07 4.73 1.47 3.17 1.49 0.01 26.26 7.80 47 S C C 62.61 3.92 16.36 21.06 121.14 -139.00 -99.69 162.24 82.77 13.06 4.17 75.60 4.81 2.11 3.26 1.09 0.00 11.40 1.73 48 G H H 48.41 3.38 15.94 19.86 103.64 -15.42 5.89 -64.96 39.11 0.93 59.96 6.55 11.91 22.15 52.77 5.48 0.26 0.44 0.44 49 L H H 104.45 3.02 15.83 19.29 94.35 28.79 -69.30 -34.07 26.98 0.45 72.57 4.03 4.37 19.31 66.05 5.60 0.20 0.23 0.23 50 I H H 53.69 10.11 15.08 26.33 92.63 53.50 -65.51 -39.75 15.42 0.54 84.04 4.95 2.33 9.19 77.92 4.99 0.09 0.33 0.20 51 Y H H 63.12 13.80 14.89 29.04 91.89 53.37 -63.13 -42.34 2.72 0.06 97.21 1.44 0.36 0.99 96.50 0.66 0.00 0.03 0.01 52 E H H 111.87 3.18 20.20 23.47 91.91 50.20 -64.55 -40.99 0.80 0.02 99.18 0.32 0.08 0.34 99.02 0.22 0.00 0.01 0.00 53 E H H 97.56 4.12 20.78 25.00 91.99 49.01 -65.66 -41.14 0.56 0.01 99.42 0.18 0.05 0.28 99.32 0.16 0.00 0.01 0.00 54 V H H 21.80 16.32 17.29 34.02 92.09 48.92 -64.90 -42.49 0.46 0.00 99.53 0.11 0.04 0.25 99.52 0.08 0.00 0.00 0.00 55 R H H 80.33 13.34 19.27 32.34 91.74 51.47 -62.93 -41.58 0.24 0.00 99.76 0.05 0.01 0.12 99.78 0.03 0.00 0.00 0.00 56 A H H 54.25 3.07 22.60 24.99 91.43 50.56 -63.94 -41.64 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 57 V H H 55.66 7.60 21.42 29.67 91.79 49.39 -64.89 -42.50 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.03 0.00 0.00 0.00 58 L H H 20.71 18.76 17.66 36.50 91.78 49.90 -64.77 -41.87 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 59 K H H 92.66 9.72 20.63 30.51 91.65 51.67 -62.99 -41.42 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 60 S H H 58.35 2.96 22.92 24.97 91.63 50.27 -64.63 -41.63 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.03 0.00 0.00 0.00 61 F H H 65.34 11.30 20.70 32.16 92.02 48.84 -65.31 -42.04 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 62 L H H 25.36 18.22 18.05 36.30 91.83 49.78 -64.82 -41.95 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 63 E H H 91.89 6.46 22.05 28.89 91.74 51.43 -63.46 -41.11 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 64 S H H 48.98 4.68 22.71 27.46 91.90 49.99 -65.07 -41.21 0.35 0.00 99.65 0.03 0.01 0.24 99.68 0.03 0.00 0.00 0.00 65 V H H 24.68 15.75 19.54 35.60 91.84 49.40 -64.96 -42.96 0.52 0.00 99.47 0.06 0.03 0.33 99.53 0.05 0.00 0.00 0.00 66 I H H 40.70 15.00 19.91 34.84 91.70 50.22 -63.69 -42.46 0.58 0.00 99.41 0.11 0.04 0.32 99.42 0.10 0.00 0.00 0.00 67 R H H 132.81 3.17 24.13 27.00 91.48 50.10 -63.78 -41.64 0.91 0.01 99.08 0.15 0.07 0.58 99.03 0.16 0.00 0.00 0.00 68 D H H 59.47 7.24 22.65 30.24 91.90 48.52 -65.89 -40.77 1.99 0.01 98.00 0.31 0.16 1.37 97.90 0.25 0.00 0.00 0.00 69 S H H 12.16 18.06 17.66 36.12 92.11 51.31 -64.59 -41.79 2.88 0.03 97.09 0.60 0.29 1.82 96.82 0.44 0.00 0.01 0.01 70 V H H 53.99 9.14 20.97 30.71 91.82 50.48 -64.29 -41.79 4.07 0.10 95.83 1.03 0.54 2.41 95.26 0.66 0.02 0.06 0.02 71 T H H 69.88 2.76 23.13 24.78 91.63 49.59 -64.31 -42.29 6.12 0.23 93.64 1.85 0.87 3.45 92.71 0.89 0.03 0.15 0.06 72 Y H H 61.22 10.76 18.47 30.15 92.43 48.97 -65.88 -40.94 7.28 0.40 92.32 2.55 1.24 3.90 90.33 1.59 0.04 0.25 0.10 73 T H H 22.92 14.60 14.15 29.57 92.20 51.54 -65.31 -38.91 9.72 0.37 89.91 3.84 1.43 4.77 87.44 2.16 0.03 0.23 0.10 74 E H H 121.72 2.71 18.34 21.20 92.48 51.44 -65.48 -39.11 14.38 0.23 85.39 3.06 1.77 9.37 83.33 2.22 0.05 0.13 0.08 75 H H H 127.83 2.46 16.32 18.81 93.87 48.24 -74.30 -27.07 24.56 0.29 75.15 4.05 3.57 17.07 72.99 1.98 0.07 0.12 0.15 76 A C H 38.72 11.84 9.82 22.02 98.78 61.80 -82.56 -4.54 61.12 0.80 38.09 16.95 12.15 31.06 36.70 2.34 0.04 0.28 0.47 77 K C T 173.08 0.95 15.91 16.00 96.38 -131.05 39.96 23.30 84.59 0.60 14.82 24.46 12.39 47.62 12.10 2.82 0.00 0.25 0.35 78 R C C 108.37 7.37 10.78 19.75 123.69 109.01 -106.93 148.11 87.61 1.30 11.09 49.60 20.46 17.60 7.11 3.86 0.00 0.54 0.82 79 K C S 157.34 2.62 14.88 18.67 97.39 -144.59 -82.68 -14.94 92.91 1.64 5.46 30.49 50.20 12.63 2.79 2.37 0.00 0.94 0.59 80 T C C 82.62 3.82 18.66 23.30 127.41 41.65 -128.89 143.99 76.83 17.90 5.27 42.46 26.63 8.50 2.89 2.63 0.03 13.28 3.59 81 V C C 25.09 20.76 10.77 30.85 115.94 -146.47 -102.48 127.56 75.12 23.12 1.76 65.89 7.91 0.66 1.57 0.47 0.00 16.10 7.40 82 T C C 58.68 5.29 22.83 28.05 125.75 -152.91 -95.95 164.91 88.68 10.11 1.21 87.37 1.77 0.27 1.17 0.14 0.00 7.48 1.79 83 S H H 50.50 13.34 15.58 29.05 91.22 -102.65 -58.54 -39.01 3.62 0.02 96.36 0.71 0.61 2.09 96.09 0.48 0.00 0.01 0.01 84 L H H 89.12 5.12 21.63 26.92 91.69 54.32 -63.87 -39.59 1.27 0.00 98.73 0.17 0.11 0.86 98.53 0.33 0.00 0.00 0.00 85 D H H 35.94 13.02 19.91 33.31 91.90 50.55 -65.25 -40.85 0.36 0.00 99.63 0.08 0.03 0.21 99.41 0.27 0.00 0.00 0.00 86 V H H 10.55 21.49 18.24 39.63 91.74 49.55 -64.22 -43.57 0.14 0.00 99.86 0.02 0.01 0.08 99.80 0.09 0.00 0.00 0.00 87 V H H 46.36 10.10 22.08 32.75 91.65 49.69 -63.51 -43.14 0.15 0.00 99.85 0.02 0.01 0.10 99.82 0.06 0.00 0.00 0.00 88 Y H H 92.51 4.81 23.84 28.85 91.48 49.06 -63.88 -42.22 0.25 0.00 99.75 0.03 0.01 0.17 99.71 0.08 0.00 0.00 0.00 89 A H H 9.50 14.94 17.79 34.26 91.57 50.66 -62.93 -42.99 0.56 0.00 99.43 0.06 0.03 0.38 99.35 0.17 0.00 0.00 0.00 90 L H H 25.46 15.78 16.26 32.62 92.17 49.71 -64.24 -41.26 1.57 0.01 98.42 0.24 0.13 1.05 98.08 0.49 0.00 0.00 0.00 91 K H H 129.01 3.62 18.09 22.57 92.02 50.32 -65.05 -39.48 3.89 0.02 96.09 0.49 0.29 2.83 95.32 1.05 0.01 0.01 0.01 92 R H H 144.42 3.75 16.32 21.13 92.77 50.75 -68.74 -32.30 11.89 0.06 88.05 0.92 0.87 9.83 87.16 1.16 0.02 0.02 0.03 93 Q H H 86.31 8.88 13.24 23.01 95.90 48.21 -87.33 -6.98 48.73 0.25 51.02 3.13 4.61 39.41 51.07 1.49 0.05 0.09 0.16 94 G C T 55.66 2.74 15.69 19.16 98.33 -115.12 78.23 12.71 96.27 0.43 3.31 23.66 10.45 62.63 2.00 0.89 0.00 0.21 0.15 95 R C C 111.86 8.01 12.92 22.34 122.75 126.33 -104.99 143.15 94.14 2.67 3.19 79.75 11.39 2.95 1.75 1.36 0.00 1.34 1.47 96 T C C 75.63 6.88 15.40 23.51 118.11 -134.48 -95.78 141.80 91.33 5.50 3.17 84.61 4.26 2.34 1.48 1.41 0.00 2.96 2.94 97 L C C 71.81 13.46 12.51 25.71 103.87 -137.02 -80.61 5.83 84.06 6.81 9.12 37.40 25.20 22.37 2.48 5.96 0.03 3.17 3.38 98 Y C T 133.20 7.55 14.06 22.34 107.62 46.09 -90.24 80.91 85.17 5.75 9.07 17.33 26.45 41.76 2.32 6.30 0.04 3.12 2.65 99 G C C 53.43 3.58 13.71 18.51 103.15 -24.89 81.31 2.21 89.17 4.02 6.81 34.49 24.90 30.13 1.25 5.46 0.00 2.06 1.69 100 F C C 120.15 7.06 9.76 18.07 107.69 107.92 -93.54 53.39 89.40 6.28 4.32 58.36 14.95 15.94 1.23 2.96 0.00 3.09 3.48 101 G C C 53.58 3.20 12.25 17.04 109.59 -29.35 94.46 9.39 95.43 2.85 1.71 77.44 4.90 13.27 0.42 1.05 0.00 1.80 1.11 102 G C C 48.97 4.75 13.68 20.00 113.15 -51.45 91.45 -6.50 99.81 0.16 0.03 99.25 0.44 0.17 0.01 0.01 0.00 0.10 0.03