# 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 K C C 141.89 3.09 13.98 18.38 115.90 -135.66 -90.88 135.61 99.98 0.02 0.00 99.82 0.16 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 90.65 5.19 10.61 17.64 112.91 -106.63 -66.20 147.07 92.96 0.53 6.52 86.79 1.23 5.73 1.17 4.55 0.00 0.26 0.27 2 H C C 114.98 6.97 9.36 17.82 112.12 -118.98 -84.78 129.71 87.87 1.57 10.56 59.03 14.24 13.09 1.44 10.56 0.00 0.79 0.86 3 R C C 165.88 2.82 12.88 17.05 107.26 -157.16 -93.43 66.16 86.66 2.31 11.03 56.82 17.84 10.80 1.46 10.68 0.00 1.17 1.21 4 Y C C 95.01 12.11 8.62 20.76 118.02 113.64 -97.61 136.26 92.40 3.17 4.42 70.43 17.31 3.74 1.23 3.30 0.00 1.08 2.91 5 R C C 142.84 3.41 13.79 18.70 117.50 -141.68 -94.70 140.29 99.30 0.33 0.36 86.80 11.72 0.74 0.18 0.13 0.00 0.10 0.34 6 P C T 101.29 4.15 11.96 17.81 110.18 -97.88 -60.74 138.07 96.25 0.13 3.63 4.70 5.24 86.68 1.66 1.55 0.00 0.05 0.11 7 G C T 55.97 2.25 14.46 17.38 96.99 22.21 85.01 -2.60 95.26 0.11 4.63 5.86 6.01 83.75 2.32 1.93 0.00 0.05 0.08 8 T C C 43.14 8.96 10.93 21.80 115.92 124.94 -81.74 147.35 75.19 2.30 22.51 53.62 18.56 2.42 21.74 1.26 0.00 0.50 1.89 9 V H H 88.15 3.78 16.65 21.25 93.86 -129.79 -63.29 -38.26 4.31 0.03 95.65 1.44 0.80 2.06 94.93 0.74 0.00 0.01 0.01 10 A H H 34.71 9.58 15.56 26.55 92.13 52.77 -64.22 -41.16 2.23 0.02 97.75 0.64 0.26 1.25 97.04 0.79 0.00 0.01 0.00 11 L H H 45.14 10.73 15.35 27.47 91.88 50.00 -64.95 -40.81 0.80 0.00 99.20 0.25 0.08 0.39 98.73 0.54 0.00 0.00 0.00 12 R H H 116.83 3.53 19.12 22.92 91.85 51.36 -63.98 -41.16 0.42 0.00 99.58 0.11 0.04 0.20 99.47 0.18 0.00 0.00 0.00 13 E H H 85.52 4.93 19.08 24.67 91.68 50.16 -64.58 -41.21 0.58 0.00 99.42 0.11 0.04 0.33 99.38 0.14 0.00 0.00 0.00 14 I H H 37.48 13.32 15.78 29.99 92.14 50.21 -64.79 -41.93 0.67 0.00 99.32 0.12 0.05 0.39 99.28 0.16 0.00 0.00 0.00 15 R H H 115.07 5.64 18.51 25.02 91.73 51.66 -63.85 -40.78 0.96 0.00 99.04 0.17 0.08 0.57 98.83 0.35 0.00 0.00 0.00 16 R H H 130.19 2.43 19.36 21.30 92.17 50.21 -65.03 -40.80 2.75 0.01 97.24 0.35 0.21 1.95 96.75 0.73 0.01 0.00 0.00 17 Y H H 72.97 10.09 15.57 26.82 92.72 49.27 -66.86 -39.05 5.84 0.03 94.12 1.04 0.65 3.84 93.38 1.04 0.01 0.01 0.01 18 Q H H 70.36 11.75 14.74 26.88 92.56 54.05 -65.34 -38.26 13.02 0.09 86.88 3.52 1.69 7.52 85.05 2.11 0.02 0.04 0.05 19 K H H 141.06 1.88 18.25 19.63 92.82 51.74 -69.42 -34.00 27.56 0.15 72.29 4.20 3.30 19.71 69.92 2.69 0.03 0.06 0.08 20 S H H 55.02 4.62 16.65 22.01 99.21 46.33 -86.34 -23.35 48.99 0.31 50.70 18.52 6.37 23.97 47.83 3.00 0.01 0.11 0.20 21 T H H 35.34 15.15 13.18 28.11 95.41 67.58 -66.95 -38.05 18.48 0.16 81.37 10.04 3.73 5.16 78.75 2.18 0.00 0.06 0.07 22 E H H 105.87 6.16 17.26 24.42 93.26 60.11 -63.54 -39.28 7.08 0.07 92.86 2.18 1.12 3.87 89.77 2.99 0.01 0.03 0.02 23 L H H 78.53 3.60 18.42 22.38 92.65 51.49 -65.49 -40.87 4.67 0.07 95.26 1.37 0.69 2.74 91.40 3.72 0.02 0.04 0.02 24 L H H 40.61 11.78 15.82 28.73 92.64 50.97 -65.55 -41.38 3.20 0.04 96.75 0.86 0.44 1.87 92.49 4.29 0.01 0.03 0.01 25 I H H 35.81 16.29 14.57 30.78 92.72 50.80 -65.99 -38.78 4.53 0.03 95.44 0.63 0.42 3.23 87.77 7.91 0.01 0.02 0.01 26 R H H 143.68 4.16 18.46 23.57 92.50 54.40 -67.99 -29.03 20.86 0.03 79.11 0.81 0.94 19.07 72.63 6.48 0.03 0.02 0.02 27 K H H 121.83 4.42 18.18 23.16 96.12 50.03 -88.29 -10.51 45.87 0.07 54.07 1.99 2.80 40.67 48.83 5.60 0.03 0.03 0.07 28 L C H 30.16 17.74 11.97 29.35 109.14 98.30 -78.12 113.66 66.01 0.26 33.73 33.61 25.82 4.74 34.06 1.52 0.00 0.05 0.19 29 P H H 64.11 5.91 20.27 26.93 93.80 -141.53 -63.56 -34.64 22.57 0.10 77.33 8.33 2.55 11.37 75.10 2.55 0.01 0.04 0.06 30 F H H 45.80 16.20 17.21 33.10 93.03 54.47 -66.17 -38.42 8.85 0.05 91.10 2.57 0.97 5.14 88.93 2.33 0.01 0.02 0.03 31 Q H H 60.01 13.44 18.24 31.58 91.99 54.48 -63.43 -40.65 1.54 0.01 98.45 0.60 0.17 0.68 97.49 1.06 0.00 0.00 0.00 32 R H H 121.66 3.81 22.36 25.96 91.86 50.85 -64.98 -40.78 0.83 0.00 99.17 0.23 0.08 0.43 98.78 0.48 0.00 0.00 0.00 33 L H H 46.76 10.04 20.18 31.03 92.01 50.60 -64.49 -42.50 0.61 0.00 99.39 0.14 0.05 0.33 99.22 0.27 0.00 0.00 0.00 34 V H H 15.66 18.90 17.15 36.11 91.91 50.19 -64.04 -42.55 0.41 0.00 99.59 0.08 0.03 0.22 99.54 0.13 0.00 0.00 0.00 35 R H H 107.73 8.10 20.54 29.17 91.51 51.43 -63.28 -41.20 0.49 0.00 99.51 0.07 0.03 0.30 99.43 0.17 0.00 0.00 0.00 36 E H H 95.43 3.02 22.21 24.46 91.72 49.83 -64.73 -41.55 1.04 0.00 98.96 0.12 0.06 0.72 98.81 0.28 0.00 0.00 0.00 37 I H H 33.32 12.16 17.87 31.17 92.26 49.44 -65.14 -41.61 1.90 0.01 98.09 0.27 0.15 1.26 97.70 0.61 0.00 0.00 0.00 38 A H H 15.90 15.19 13.73 29.86 91.78 52.46 -64.70 -38.24 4.86 0.02 95.12 0.76 0.40 3.34 93.02 2.45 0.01 0.01 0.01 39 Q H H 114.52 2.83 17.69 20.90 92.37 53.53 -66.13 -36.36 17.79 0.03 82.17 1.14 1.03 15.43 77.47 4.88 0.02 0.02 0.02 40 D H H 96.97 2.74 16.45 19.43 94.18 51.27 -75.50 -24.04 31.15 0.08 68.77 2.35 2.36 26.26 64.58 4.34 0.03 0.03 0.05 41 F C H 72.38 12.10 10.46 22.91 102.03 57.91 -92.17 11.97 61.55 0.81 37.64 28.80 13.21 20.29 32.87 3.98 0.02 0.27 0.57 42 K C C 138.28 3.75 13.22 18.45 102.36 109.75 -68.72 19.16 83.47 0.84 15.69 56.40 9.14 17.25 12.60 3.68 0.00 0.38 0.55 43 T C C 90.48 4.21 11.38 16.96 102.96 77.85 -90.05 -7.34 80.22 0.81 18.97 39.74 21.77 18.89 12.45 6.28 0.00 0.32 0.55 44 D C C 98.12 4.00 12.45 17.41 105.38 64.59 -86.36 66.70 74.84 0.85 24.31 42.74 17.06 15.02 15.12 9.15 0.00 0.35 0.55 45 L C C 94.17 7.37 11.30 19.88 100.29 -169.38 -75.43 -0.21 59.79 1.33 38.87 35.36 11.38 12.57 23.33 16.07 0.01 0.66 0.63 46 R C C 143.40 4.18 15.56 20.77 100.09 79.36 -78.98 -10.28 54.73 3.07 42.20 34.43 9.29 10.77 27.59 15.03 0.02 1.79 1.09 47 F C C 70.26 13.69 11.87 25.50 104.44 70.32 -84.55 29.26 52.84 3.55 43.61 37.53 8.09 7.44 32.49 11.16 0.02 2.00 1.27 48 Q C H 89.90 6.84 16.67 24.28 106.52 103.32 -79.80 128.23 50.03 1.16 48.81 39.70 5.42 4.55 46.68 2.70 0.00 0.53 0.43 49 S H H 65.41 5.97 15.79 22.68 94.64 -43.21 -65.36 -38.44 14.67 0.14 85.19 7.60 2.93 4.28 83.75 1.32 0.00 0.05 0.05 50 S H H 66.44 2.85 19.16 21.71 93.07 51.31 -66.56 -39.10 5.46 0.04 94.50 2.22 0.83 2.32 93.70 0.88 0.00 0.02 0.02 51 A H H 23.45 11.59 16.25 29.19 92.40 51.13 -65.41 -41.56 1.95 0.02 98.03 0.84 0.25 0.83 97.52 0.54 0.00 0.01 0.00 52 V H H 31.34 14.65 16.75 31.80 92.05 49.86 -64.20 -42.21 0.82 0.01 99.17 0.33 0.09 0.35 98.98 0.24 0.00 0.00 0.00 53 M H H 93.95 3.88 21.72 25.54 91.61 50.15 -64.18 -41.35 0.51 0.01 99.48 0.18 0.05 0.23 99.41 0.12 0.00 0.00 0.00 54 A H H 46.02 5.00 20.78 26.36 91.67 50.62 -64.09 -41.59 0.44 0.00 99.56 0.12 0.03 0.22 99.53 0.09 0.00 0.00 0.00 55 L H H 35.99 14.88 17.86 32.98 92.31 50.17 -64.75 -41.47 0.31 0.00 99.69 0.07 0.02 0.16 99.68 0.06 0.00 0.00 0.00 56 Q H H 73.51 11.48 19.88 31.29 91.91 50.96 -63.40 -41.22 0.30 0.00 99.70 0.06 0.02 0.16 99.71 0.05 0.00 0.00 0.00 57 E H H 110.82 2.69 23.01 24.92 91.75 49.67 -65.05 -41.28 0.39 0.00 99.61 0.06 0.02 0.22 99.64 0.06 0.00 0.00 0.00 58 A H H 41.09 6.92 20.58 28.41 91.94 50.05 -65.01 -41.41 0.60 0.00 99.40 0.09 0.03 0.35 99.46 0.07 0.00 0.00 0.00 59 S H H 20.28 15.64 17.68 33.61 92.10 50.96 -64.57 -40.99 0.83 0.00 99.16 0.15 0.05 0.47 99.24 0.09 0.00 0.00 0.00 60 E H H 87.45 8.79 20.98 30.05 91.95 51.48 -63.99 -40.69 0.41 0.00 99.59 0.05 0.02 0.25 99.62 0.06 0.00 0.00 0.00 61 A H H 56.35 3.54 22.28 25.44 91.68 51.43 -64.76 -40.79 0.23 0.00 99.77 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 62 Y H H 85.02 10.69 20.77 31.61 92.18 49.75 -65.10 -41.70 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 63 L H H 34.27 16.76 18.87 35.26 91.97 50.24 -64.30 -42.36 0.17 0.00 99.83 0.02 0.00 0.10 99.83 0.05 0.00 0.00 0.00 64 V H H 65.35 6.64 22.06 29.15 91.79 50.35 -64.21 -41.97 0.21 0.00 99.79 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 65 A H H 44.29 5.39 21.96 27.88 91.66 50.67 -64.19 -41.60 0.67 0.00 99.33 0.05 0.03 0.49 99.21 0.22 0.00 0.00 0.00 66 L H H 30.19 15.69 18.99 34.74 92.22 49.95 -65.04 -42.04 2.22 0.00 97.78 0.16 0.12 1.74 97.48 0.49 0.00 0.00 0.00 67 F H H 55.16 14.89 18.95 33.58 92.35 50.45 -65.22 -40.77 5.56 0.03 94.41 0.94 0.60 3.72 93.70 1.00 0.01 0.01 0.01 68 E H H 109.72 3.94 22.69 26.57 92.42 51.63 -65.98 -39.25 13.34 0.09 86.56 2.16 1.49 9.31 85.47 1.45 0.03 0.04 0.05 69 D H H 64.37 8.62 21.15 29.96 94.78 46.74 -72.38 -34.77 25.25 0.17 74.58 5.25 2.94 16.28 73.48 1.87 0.02 0.07 0.08 70 T H H 22.77 18.82 17.63 35.64 94.15 53.58 -69.31 -36.83 28.60 0.38 71.02 8.86 4.80 15.33 67.94 2.67 0.05 0.16 0.19 71 N H H 73.61 9.92 22.16 31.89 93.26 58.28 -64.37 -38.96 22.34 0.35 77.31 8.11 3.06 11.57 74.20 2.71 0.03 0.18 0.15 72 L H H 71.02 6.06 23.40 29.54 92.27 51.75 -65.33 -41.87 9.84 0.32 89.85 3.50 1.68 5.18 85.38 3.91 0.05 0.20 0.10 73 C H H 18.27 14.47 18.80 34.07 92.52 50.39 -65.13 -41.60 6.10 0.45 93.45 2.08 0.98 3.38 88.08 4.98 0.05 0.35 0.09 74 A H H 17.27 13.85 16.66 31.63 92.31 51.94 -64.22 -40.88 6.50 0.59 92.91 2.18 1.01 3.62 87.44 5.06 0.06 0.52 0.10 75 I H H 89.93 4.54 19.80 24.49 92.73 49.63 -65.86 -40.79 9.73 0.77 89.50 2.54 1.44 6.17 85.10 3.84 0.12 0.61 0.17 76 H H H 106.97 5.43 18.12 24.15 93.00 48.24 -69.48 -31.93 19.37 0.80 79.83 3.95 2.93 13.20 76.35 2.60 0.20 0.48 0.28 77 A C H 32.29 13.05 12.24 25.87 96.31 51.61 -82.80 -8.46 58.25 0.94 40.81 13.14 9.24 34.85 39.35 2.48 0.06 0.40 0.49 78 K C T 161.69 1.92 17.80 19.98 95.22 -125.49 58.87 31.98 82.20 0.48 17.32 14.94 13.34 53.12 15.24 2.84 0.01 0.21 0.30 79 R C C 108.52 8.48 14.19 23.69 127.19 100.56 -119.52 147.93 90.16 1.24 8.59 32.19 27.16 31.12 5.62 2.71 0.00 0.56 0.64 80 V C C 92.15 7.91 14.98 23.83 99.58 -146.18 -91.55 -8.68 92.30 4.00 3.70 46.11 38.29 8.37 1.82 1.73 0.00 2.28 1.39 81 T C C 74.07 4.59 20.90 26.07 128.22 54.94 -122.23 145.49 90.99 6.71 2.30 60.43 26.02 4.87 0.89 1.38 0.00 4.63 1.78 82 I C C 33.07 20.85 11.59 31.82 111.88 -125.65 -89.30 122.51 91.55 6.92 1.52 77.20 12.68 1.31 0.83 0.73 0.00 3.21 4.04 83 M C C 74.40 6.60 20.18 27.37 125.30 -166.03 -104.64 156.85 99.09 0.34 0.58 95.50 3.51 0.08 0.64 0.03 0.00 0.11 0.14 84 P H H 80.81 6.88 16.23 24.38 90.84 -107.39 -57.85 -38.02 2.25 0.00 97.74 0.24 0.19 1.56 97.32 0.68 0.00 0.00 0.00 85 K H H 121.25 3.41 20.71 24.40 91.55 54.54 -63.95 -38.64 0.91 0.00 99.09 0.09 0.05 0.64 98.61 0.62 0.00 0.00 0.00 86 D H H 16.26 18.31 16.51 34.98 91.99 50.90 -65.22 -41.21 0.23 0.00 99.77 0.04 0.02 0.12 99.40 0.42 0.00 0.00 0.00 87 I H H 21.83 17.96 18.14 36.06 91.64 50.71 -64.22 -42.06 0.07 0.00 99.93 0.01 0.00 0.04 99.88 0.07 0.00 0.00 0.00 88 Q H H 91.82 3.74 24.68 28.02 91.38 50.80 -63.19 -42.24 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 89 L H H 35.91 9.83 21.70 32.81 91.58 50.14 -63.89 -42.46 0.09 0.00 99.91 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 90 A H H 5.17 20.23 16.54 37.63 91.36 51.18 -62.70 -42.93 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 91 R H H 84.73 9.22 19.36 29.34 91.50 51.00 -63.63 -41.00 0.49 0.00 99.51 0.04 0.02 0.33 99.40 0.20 0.00 0.00 0.00 92 R H H 135.83 2.82 19.90 22.67 91.86 50.63 -64.82 -40.75 1.28 0.00 98.72 0.10 0.06 0.96 98.37 0.50 0.00 0.00 0.00 93 I H H 54.47 12.68 15.44 28.60 92.67 49.18 -67.30 -36.26 5.94 0.02 94.05 0.27 0.31 5.20 93.57 0.63 0.01 0.00 0.00 94 R C T 95.57 10.56 13.73 24.98 95.77 45.47 -86.19 -5.55 53.88 0.09 46.03 1.07 2.43 48.70 46.54 1.15 0.02 0.03 0.06 95 G C T 54.78 2.48 14.41 17.81 98.56 -105.36 78.25 11.35 95.61 0.17 4.23 8.73 6.14 80.84 3.49 0.65 0.00 0.07 0.09 96 E C C 110.41 5.50 10.29 17.52 108.80 127.11 -88.52 105.04 97.35 0.37 2.28 90.93 2.07 4.86 1.05 0.69 0.00 0.15 0.24 97 R C C 155.38 4.44 13.01 19.29 110.77 111.14 -92.56 111.39 99.91 0.05 0.05 99.70 0.16 0.09 0.01 0.01 0.00 0.02 0.01