# 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 50.53 11.04 13.64 25.21 116.17 -142.18 -84.61 142.37 99.83 0.11 0.06 99.70 0.12 0.07 0.03 0.01 0.00 0.05 0.02 1 K C C 122.44 5.97 12.85 20.41 116.02 -139.98 -92.30 139.25 85.95 2.61 11.44 81.71 1.29 3.33 9.80 1.34 0.00 1.14 1.39 2 S C C 55.08 7.66 10.98 19.99 113.82 -120.64 -80.22 151.13 69.65 2.49 27.86 55.27 7.10 6.95 24.20 4.09 0.00 1.18 1.21 3 K H H 139.66 3.98 13.77 19.14 95.56 -122.51 -67.75 -26.64 42.86 1.18 55.96 19.17 10.07 15.46 46.09 8.03 0.06 0.58 0.53 4 N H H 77.72 8.46 13.60 23.10 97.92 57.52 -83.75 -7.80 39.37 1.18 59.46 18.00 8.95 14.60 49.20 8.04 0.09 0.57 0.56 5 H H H 77.48 10.70 13.93 25.31 100.02 73.92 -79.67 -13.83 35.30 1.44 63.25 23.09 7.18 7.33 55.62 5.47 0.03 0.69 0.59 6 T H H 60.89 8.02 16.23 25.21 102.64 84.02 -82.57 -25.93 32.93 1.43 65.64 22.90 5.69 6.08 60.70 3.40 0.02 0.71 0.50 7 T H H 57.92 9.51 16.64 26.75 99.39 53.90 -75.29 -34.19 27.48 1.01 71.51 17.31 5.54 6.38 66.86 3.04 0.02 0.50 0.35 8 H H H 80.53 10.62 16.32 27.29 96.38 55.59 -70.68 -36.65 24.77 0.80 74.44 13.19 5.47 7.92 69.34 3.35 0.03 0.39 0.31 9 N H H 75.10 7.42 18.02 26.01 96.13 52.19 -71.40 -33.52 26.35 0.65 72.99 13.46 5.38 9.16 67.95 3.42 0.03 0.32 0.28 10 Q H H 74.93 8.44 17.71 26.84 95.39 54.60 -69.50 -34.55 23.81 0.56 75.63 12.47 4.83 8.09 70.91 3.17 0.02 0.26 0.24 11 S H H 30.01 12.27 14.53 27.67 96.12 58.33 -69.56 -36.87 21.58 0.53 77.89 12.77 3.84 6.50 73.32 3.09 0.01 0.26 0.21 12 R H H 123.57 4.69 17.86 23.19 93.98 56.30 -66.47 -38.24 14.95 0.44 84.61 6.36 2.90 6.93 80.06 3.30 0.05 0.23 0.17 13 K H H 92.29 4.80 17.15 22.80 93.09 52.51 -66.41 -39.88 12.50 0.54 86.96 5.05 2.58 6.29 81.81 3.67 0.09 0.30 0.20 14 W H H 64.01 11.54 13.00 25.71 93.14 51.33 -66.64 -40.44 10.57 0.66 88.76 4.92 2.01 4.91 83.28 4.19 0.07 0.41 0.21 15 H H H 93.73 7.87 13.97 22.90 94.65 48.69 -69.92 -38.13 12.21 0.85 86.94 5.02 2.09 6.40 80.29 5.27 0.11 0.54 0.28 16 R H H 155.28 2.28 15.51 18.14 95.53 49.15 -74.11 -32.10 18.92 0.46 80.62 3.41 2.95 13.51 74.71 4.79 0.17 0.23 0.23 17 N H H 91.81 4.47 13.99 19.63 100.19 31.71 -99.97 0.32 41.64 0.31 58.04 3.87 6.34 31.62 55.27 2.46 0.11 0.11 0.21 18 G C T 45.67 4.65 14.20 20.11 99.09 -113.53 77.52 13.13 97.46 0.66 1.88 33.90 25.66 38.14 0.73 0.97 0.00 0.33 0.27 19 I C C 63.61 11.10 10.45 22.57 116.37 136.87 -90.02 135.11 94.74 3.47 1.79 71.15 19.63 3.70 0.72 1.02 0.00 1.54 2.23 20 K C C 137.76 3.18 16.53 20.83 116.59 -133.86 -87.66 139.27 96.37 2.40 1.22 78.17 15.91 2.19 0.54 0.61 0.00 1.01 1.57 21 K C C 98.33 11.62 11.68 23.71 114.71 -108.52 -75.95 137.21 98.93 0.59 0.47 84.10 14.30 0.60 0.27 0.17 0.00 0.24 0.32 22 P C C 49.06 9.65 11.44 22.77 113.69 -108.36 -64.78 148.47 91.45 0.64 7.91 83.26 4.35 4.24 3.04 4.37 0.00 0.28 0.46 23 R C G 173.07 2.33 13.69 17.19 93.52 -120.34 -63.12 -30.95 52.05 0.80 47.15 22.30 11.45 17.83 11.89 35.68 0.00 0.38 0.47 24 S H G 63.89 5.84 11.62 18.90 98.27 64.22 -76.85 -14.90 42.39 0.88 56.73 15.95 9.13 17.51 14.22 42.32 0.01 0.43 0.43 25 Q H G 90.47 8.79 11.27 21.05 98.40 62.17 -79.67 1.25 38.94 0.96 60.10 21.88 7.10 10.02 16.15 43.96 0.00 0.51 0.37 26 R C C 133.55 6.11 13.81 21.20 96.90 92.58 -75.60 -16.47 56.24 1.19 42.58 29.21 12.00 14.77 15.33 27.41 0.01 0.53 0.74 27 Y C C 84.10 11.06 10.75 22.61 110.44 65.64 -98.29 105.31 70.75 1.24 28.01 43.17 15.44 11.85 10.71 17.26 0.00 0.48 1.07 28 E H G 132.81 3.09 15.19 19.70 94.75 -160.33 -66.28 -31.12 30.96 0.38 68.66 6.97 4.83 18.24 9.80 59.79 0.00 0.21 0.16 29 S H G 65.20 5.96 15.43 22.63 92.05 64.04 -71.46 -16.76 32.12 0.25 67.63 3.62 3.45 23.18 8.44 61.07 0.00 0.14 0.11 30 L H G 28.65 18.13 10.29 27.95 95.74 55.01 -93.01 -3.50 36.10 0.38 63.52 7.97 5.18 21.53 5.88 59.07 0.00 0.21 0.17 31 K C T 131.87 4.78 13.97 21.31 110.61 119.11 -63.38 130.75 95.03 0.32 4.65 3.62 4.17 87.80 1.60 2.35 0.00 0.13 0.33 32 G C T 61.66 1.24 17.36 17.85 94.59 18.03 83.95 -1.10 98.33 0.13 1.54 3.05 5.94 89.47 0.27 1.14 0.00 0.08 0.06 33 V C C 38.99 16.35 8.84 24.75 119.52 122.07 -79.56 144.44 97.15 2.47 0.38 63.34 32.21 0.53 0.20 0.14 0.00 0.43 3.16 34 D C C 65.95 6.01 15.84 23.30 110.28 -105.45 -69.59 133.60 99.81 0.15 0.04 99.06 0.76 0.02 0.02 0.00 0.00 0.04 0.09 35 P H H 81.45 5.89 14.52 21.98 92.13 -129.97 -59.27 -34.72 4.31 0.01 95.69 0.40 0.32 3.40 94.67 1.19 0.00 0.00 0.00 36 K H H 115.06 4.57 17.85 23.24 92.10 55.46 -64.72 -39.56 1.76 0.00 98.24 0.14 0.12 1.42 97.05 1.27 0.00 0.00 0.00 37 F H H 58.87 11.26 15.85 28.02 92.62 49.37 -66.41 -40.81 0.53 0.00 99.47 0.11 0.05 0.30 98.46 1.08 0.00 0.00 0.00 38 L H H 51.21 9.86 16.64 27.74 91.99 51.36 -63.63 -41.93 0.44 0.00 99.56 0.08 0.03 0.26 99.01 0.62 0.00 0.00 0.00 39 R H H 115.45 4.79 20.58 25.76 91.90 50.18 -64.76 -41.01 1.85 0.00 98.14 0.14 0.10 1.50 97.59 0.67 0.00 0.00 0.00 40 N H H 50.44 10.36 18.66 29.78 92.53 49.41 -66.27 -39.86 7.11 0.01 92.87 0.54 0.37 6.02 92.32 0.73 0.01 0.00 0.01 41 M H H 47.33 13.24 17.69 31.37 92.22 52.75 -63.94 -40.75 4.45 0.04 95.51 1.24 0.54 2.48 94.28 1.43 0.01 0.02 0.01 42 R H H 107.61 5.37 21.21 26.80 91.92 51.56 -64.36 -41.41 3.52 0.05 96.42 0.94 0.41 2.09 94.43 2.08 0.01 0.03 0.01 43 F H H 73.14 7.09 19.41 27.56 92.46 49.55 -65.36 -40.86 3.47 0.06 96.46 0.93 0.45 2.05 93.73 2.78 0.01 0.04 0.02 44 A H H 19.35 13.82 14.59 29.57 92.04 53.31 -64.38 -39.48 4.54 0.07 95.39 1.26 0.57 2.58 92.29 3.22 0.01 0.04 0.02 45 K H H 111.16 6.40 18.07 25.27 92.26 52.62 -67.33 -33.96 11.11 0.11 88.78 1.77 1.19 7.93 84.16 4.81 0.04 0.06 0.05 46 K H H 128.39 3.33 18.32 21.90 93.14 53.91 -71.25 -24.76 22.56 0.18 77.26 2.89 2.67 17.05 73.51 3.63 0.06 0.08 0.10 47 H C H 85.08 10.53 13.45 24.40 101.19 49.49 -94.83 4.20 50.01 0.98 49.01 14.66 12.34 24.52 44.62 2.81 0.09 0.34 0.61 48 N C C 68.47 7.07 14.40 22.58 119.71 79.02 -100.55 143.64 75.59 1.79 22.61 59.45 7.30 6.72 22.89 1.84 0.00 0.62 1.18 49 K H H 138.03 4.08 14.47 20.08 92.76 -111.89 -62.76 -35.16 22.50 0.36 77.14 6.63 5.27 11.85 72.83 3.02 0.07 0.15 0.19 50 K H H 134.26 1.63 17.92 18.64 92.51 53.24 -65.77 -39.39 15.59 0.16 84.24 3.20 2.58 10.03 81.15 2.84 0.05 0.07 0.09 51 G H H 14.94 8.89 14.96 26.00 92.59 50.98 -64.08 -41.84 10.55 0.16 89.29 4.64 1.67 4.55 86.60 2.37 0.01 0.08 0.07 52 L H H 43.10 13.02 14.58 28.33 92.21 51.10 -64.32 -41.16 2.89 0.03 97.08 1.19 0.40 1.26 96.27 0.85 0.00 0.02 0.01 53 K H H 119.95 2.96 19.89 22.94 91.56 50.77 -64.31 -40.90 1.54 0.02 98.44 0.53 0.18 0.75 98.01 0.51 0.00 0.01 0.00 54 K H H 118.56 2.63 20.66 22.82 91.90 49.61 -65.39 -40.91 1.24 0.01 98.75 0.40 0.13 0.62 98.43 0.40 0.00 0.00 0.00 55 M H H 47.77 13.05 16.81 30.43 92.24 50.05 -65.33 -41.44 1.07 0.01 98.92 0.33 0.10 0.54 98.76 0.26 0.00 0.00 0.00 56 Q H H 76.77 9.48 19.10 29.06 91.92 50.81 -63.90 -41.13 1.29 0.01 98.70 0.32 0.11 0.72 98.59 0.24 0.00 0.00 0.00 57 A H H 55.30 2.78 21.31 23.37 91.67 50.23 -64.03 -41.44 1.98 0.01 98.01 0.42 0.18 1.18 97.94 0.27 0.00 0.00 0.00 58 N H H 70.42 6.34 20.72 27.44 92.28 49.10 -66.39 -40.07 2.88 0.01 97.11 0.65 0.27 1.64 97.21 0.21 0.00 0.00 0.00 59 N H H 47.24 14.00 17.79 31.81 92.05 51.39 -64.96 -40.47 1.83 0.00 98.17 0.47 0.17 0.92 98.27 0.16 0.00 0.00 0.00 60 A H H 50.68 5.86 21.09 27.48 91.83 51.52 -63.92 -41.28 0.74 0.00 99.26 0.16 0.06 0.39 99.27 0.12 0.00 0.00 0.00 61 K H H 121.69 2.54 23.60 25.37 91.63 49.63 -65.19 -40.94 0.47 0.00 99.53 0.09 0.04 0.25 99.54 0.08 0.00 0.00 0.00 62 A H H 24.01 12.30 18.77 32.08 92.01 50.05 -64.34 -41.98 0.33 0.00 99.67 0.06 0.02 0.18 99.69 0.05 0.00 0.00 0.00 63 M H H 56.56 13.57 19.96 33.39 91.89 50.47 -63.72 -41.57 0.31 0.00 99.69 0.05 0.02 0.18 99.71 0.05 0.00 0.00 0.00 64 S H H 58.61 3.86 23.91 27.46 91.57 50.16 -63.97 -41.48 0.40 0.00 99.60 0.06 0.02 0.23 99.65 0.04 0.00 0.00 0.00 65 A H H 42.68 6.41 22.52 29.36 91.57 50.06 -64.58 -41.56 0.33 0.00 99.67 0.04 0.02 0.19 99.71 0.04 0.00 0.00 0.00 66 R H H 61.41 15.76 20.40 35.49 92.01 50.82 -64.21 -41.78 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 67 A H H 32.40 10.67 20.70 32.22 91.55 51.40 -63.28 -41.88 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 68 E H H 107.71 2.68 25.09 26.81 91.44 50.16 -64.47 -41.32 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 69 A H H 27.84 11.25 20.10 32.20 92.02 50.32 -64.67 -42.07 0.34 0.00 99.66 0.03 0.01 0.22 99.67 0.06 0.00 0.00 0.00 70 I H H 31.01 16.80 18.01 34.65 92.18 50.04 -64.50 -41.88 0.59 0.00 99.41 0.07 0.03 0.38 99.37 0.14 0.00 0.00 0.00 71 K H H 114.38 4.90 21.13 26.76 91.63 51.42 -64.20 -39.97 1.71 0.01 98.29 0.19 0.11 1.21 98.04 0.45 0.00 0.00 0.00 72 A H H 53.41 4.50 19.64 24.32 92.11 51.06 -66.20 -37.79 8.84 0.03 91.13 0.75 0.56 7.15 90.40 1.10 0.01 0.01 0.01 73 L H H 47.24 13.01 15.25 28.78 93.86 49.37 -73.19 -32.23 22.34 0.26 77.40 4.35 2.56 15.05 76.16 1.62 0.04 0.11 0.13 74 V H H 59.84 11.28 13.75 25.48 97.15 53.61 -77.40 -24.62 48.29 1.32 50.39 24.84 8.31 15.18 48.63 1.82 0.03 0.48 0.70 75 A C C 79.18 2.58 16.14 19.02 96.84 61.43 -75.14 -22.35 73.18 0.85 25.97 47.59 8.66 14.40 26.41 2.15 0.00 0.35 0.44 76 S C C 61.30 5.69 13.35 20.19 105.45 56.20 -90.98 49.38 77.06 0.71 22.22 51.23 10.51 14.13 19.66 3.76 0.00 0.31 0.40 77 R C C 139.74 7.35 14.00 22.48 96.63 -140.61 -60.84 -5.26 61.53 1.14 37.34 39.03 11.14 11.01 30.59 7.16 0.01 0.52 0.55 78 K C H 109.44 6.09 17.89 24.65 95.92 86.35 -70.17 -30.53 49.76 1.75 48.49 33.79 6.78 9.39 39.19 9.23 0.01 0.97 0.63 79 L H H 41.13 16.05 15.44 31.18 94.29 60.56 -71.33 -33.59 34.79 1.38 63.83 24.18 4.46 6.83 51.28 11.99 0.01 0.80 0.44 80 D H H 56.48 13.22 18.16 31.10 93.11 64.11 -65.08 -36.35 21.59 0.85 77.56 12.53 3.23 6.31 62.93 14.21 0.01 0.53 0.24 81 R H H 106.75 8.75 21.17 30.12 92.69 55.73 -67.68 -34.07 16.88 0.68 82.43 7.28 2.58 7.20 68.32 13.92 0.03 0.47 0.19 82 L H H 50.39 11.99 20.51 32.60 92.92 53.53 -66.93 -39.48 10.54 0.49 88.96 4.50 1.53 4.70 76.07 12.70 0.02 0.37 0.11 83 A H H 16.34 16.74 17.83 34.80 92.55 53.87 -64.68 -39.10 6.62 0.42 92.96 2.53 0.96 3.28 80.56 12.24 0.02 0.35 0.07 84 Y H H 76.31 12.00 19.35 31.57 92.56 52.39 -67.04 -35.65 8.15 0.61 91.23 2.12 1.07 5.02 77.96 13.12 0.06 0.55 0.11 85 I H H 74.75 8.81 19.92 29.08 93.49 52.30 -73.22 -29.72 14.91 1.07 84.01 3.05 2.14 10.15 73.64 9.73 0.19 0.81 0.28 86 A H H 41.70 11.88 17.07 29.28 94.62 53.46 -78.67 -20.48 34.54 1.78 63.68 6.36 8.18 22.34 55.36 5.54 0.47 0.89 0.86 87 H C C 57.30 13.43 12.80 26.82 112.04 82.56 -97.36 113.21 94.21 1.30 4.48 46.59 44.39 2.98 3.93 0.80 0.00 0.41 0.90 88 P C T 92.24 4.04 15.41 20.83 93.38 -149.50 -62.02 -30.78 53.78 0.40 45.82 7.58 6.97 37.65 31.68 15.60 0.04 0.19 0.30 89 K H H 128.59 3.38 17.25 21.22 94.23 54.64 -71.64 -21.60 47.02 0.45 52.52 5.85 5.68 33.43 38.49 15.94 0.09 0.21 0.31 90 L H H 34.92 15.78 13.12 28.78 94.47 58.46 -68.74 -33.81 32.98 0.76 66.26 11.03 6.33 15.40 49.86 16.54 0.08 0.37 0.38 91 G H H 24.62 12.64 15.55 28.46 93.42 61.00 -61.00 -40.68 27.29 0.70 72.02 12.91 4.39 10.21 57.36 14.46 0.02 0.38 0.26 92 K H H 130.08 3.13 20.35 23.55 93.53 50.63 -69.37 -36.59 22.69 0.82 76.49 7.08 3.87 11.61 61.04 15.50 0.10 0.49 0.30 93 R H H 110.43 7.85 20.12 28.14 94.81 48.73 -73.75 -32.04 22.62 1.27 76.11 9.06 3.74 10.18 61.00 14.69 0.08 0.83 0.41 94 A H H 15.30 18.61 15.18 33.39 94.10 61.86 -65.79 -39.39 20.85 1.35 77.80 12.39 3.60 6.21 67.84 8.67 0.03 0.87 0.39 95 R H H 109.44 10.16 21.19 31.00 93.85 55.25 -68.18 -34.61 18.97 1.15 79.88 10.26 3.04 6.80 70.76 8.02 0.03 0.79 0.31 96 A H H 44.79 7.36 19.28 27.54 93.63 60.69 -64.96 -40.39 14.50 0.97 84.53 7.39 2.82 5.47 75.02 8.36 0.04 0.68 0.23 97 R H H 95.97 8.77 20.36 29.44 93.05 51.11 -67.58 -39.52 14.71 1.44 83.85 7.31 2.64 5.94 74.42 8.21 0.06 1.10 0.32 98 I H H 47.75 13.74 17.22 31.04 93.27 49.67 -66.26 -40.87 16.88 1.72 81.40 7.97 3.05 7.19 72.45 7.55 0.10 1.26 0.43 99 A H H 42.61 9.98 16.37 27.19 93.14 52.38 -66.43 -36.59 25.83 1.36 72.81 9.22 4.74 13.52 63.54 7.47 0.17 0.77 0.57 100 K C T 127.97 3.94 18.20 22.84 94.54 53.10 -70.77 -25.16 56.02 0.78 43.19 5.04 6.37 43.01 36.72 7.81 0.16 0.39 0.50 101 G C T 35.80 8.31 16.57 25.44 98.49 40.11 -60.96 -10.81 69.82 0.64 29.54 10.22 8.47 50.42 23.01 7.13 0.03 0.31 0.42 102 L C C 60.48 13.37 13.10 26.61 99.81 77.73 -75.87 -4.26 71.63 3.05 25.32 45.94 12.11 13.46 14.12 11.15 0.01 1.45 1.76 103 R C C 135.93 6.53 16.69 24.31 99.17 69.58 -64.59 -17.60 69.58 5.91 24.52 44.05 11.20 14.32 9.35 15.19 0.02 3.38 2.49 104 L C C 91.38 7.66 15.48 23.96 97.24 70.04 -77.58 -13.90 68.23 7.44 24.34 30.75 16.88 22.35 7.23 15.72 0.08 4.32 2.67 105 C C C 61.74 10.16 12.69 23.56 105.61 55.62 -97.65 46.90 76.44 6.82 16.73 39.24 20.08 17.97 4.32 11.67 0.04 3.45 3.22 106 R C C 127.49 6.50 11.50 19.74 116.48 128.71 -90.18 133.88 97.11 2.51 0.38 71.40 25.17 0.78 0.14 0.21 0.00 1.23 1.07 107 P C C 86.47 5.28 10.18 17.38 112.37 -108.07 -66.11 149.07 98.65 1.10 0.25 97.43 0.78 0.70 0.09 0.07 0.00 0.51 0.42 108 K C C 159.66 2.11 12.07 15.66 107.25 -108.38 -75.72 128.26 99.90 0.08 0.02 99.69 0.17 0.08 0.01 0.00 0.00 0.03 0.02