# 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 56.28 6.46 13.76 21.36 105.13 -116.67 -73.71 111.55 99.80 0.03 0.16 99.69 0.08 0.09 0.11 0.01 0.00 0.01 0.01 1 K H H 129.01 3.73 11.47 16.50 96.07 68.70 -68.36 -34.06 45.32 0.37 54.31 39.28 1.09 4.83 53.08 1.42 0.00 0.13 0.19 2 Q H H 128.03 1.46 11.85 13.66 94.28 55.66 -67.98 -37.47 22.72 0.26 77.02 13.35 3.42 6.35 74.84 1.81 0.00 0.11 0.11 3 S H H 64.35 2.37 12.74 15.82 94.43 51.35 -67.61 -38.49 16.24 0.21 83.55 10.30 2.13 4.33 81.09 1.97 0.00 0.09 0.08 4 M H H 81.18 6.10 12.31 19.77 92.77 52.25 -65.87 -40.70 5.87 0.07 94.05 3.44 0.87 1.78 92.73 1.11 0.00 0.03 0.02 5 K H H 112.86 3.42 15.11 19.35 92.21 51.40 -64.77 -40.78 3.13 0.04 96.84 1.54 0.42 1.16 96.30 0.55 0.00 0.02 0.01 6 A H H 56.85 2.26 16.63 18.77 91.83 50.29 -64.22 -41.28 2.03 0.01 97.95 0.80 0.23 0.86 97.76 0.34 0.00 0.00 0.00 7 R H H 110.91 5.06 17.02 22.84 92.06 49.94 -65.12 -40.51 1.26 0.00 98.73 0.44 0.13 0.55 98.70 0.18 0.00 0.00 0.00 8 E H H 70.60 9.64 16.19 26.70 91.96 50.81 -63.99 -41.11 0.89 0.00 99.10 0.29 0.08 0.40 99.11 0.11 0.00 0.00 0.00 9 V H H 78.93 3.37 19.56 22.82 91.77 49.95 -64.22 -41.75 0.48 0.00 99.52 0.12 0.03 0.23 99.54 0.06 0.00 0.00 0.00 10 K H H 114.89 2.99 20.81 23.53 91.69 49.81 -64.34 -41.36 0.33 0.00 99.67 0.07 0.02 0.17 99.69 0.05 0.00 0.00 0.00 11 R H H 72.99 12.51 18.21 30.91 91.91 49.79 -64.47 -41.93 0.28 0.00 99.72 0.05 0.02 0.16 99.73 0.05 0.00 0.00 0.00 12 V H H 53.13 9.62 19.12 29.48 91.60 50.13 -63.65 -41.81 0.27 0.00 99.73 0.04 0.02 0.16 99.73 0.05 0.00 0.00 0.00 13 A H H 57.28 2.48 22.97 24.11 91.54 49.96 -63.57 -42.12 0.32 0.00 99.68 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 14 L H H 54.12 7.57 20.62 29.12 91.87 49.67 -64.42 -41.80 0.40 0.00 99.60 0.05 0.02 0.27 99.60 0.06 0.00 0.00 0.00 15 A H H 16.24 16.07 16.29 33.19 91.74 50.82 -63.68 -41.59 0.26 0.00 99.74 0.03 0.01 0.18 99.72 0.06 0.00 0.00 0.00 16 D H H 81.94 3.86 21.76 25.60 91.84 50.73 -64.36 -40.82 0.25 0.00 99.75 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 17 K H H 119.83 2.28 22.46 23.62 91.80 49.36 -65.10 -41.29 0.47 0.00 99.53 0.03 0.02 0.37 99.49 0.09 0.00 0.00 0.00 18 Y H H 43.42 14.47 17.01 32.11 91.86 49.25 -64.82 -41.60 0.56 0.00 99.44 0.04 0.02 0.42 99.44 0.09 0.00 0.00 0.00 19 F H H 78.43 10.81 18.54 29.79 91.85 51.51 -63.30 -41.49 0.23 0.00 99.77 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 20 A H H 61.39 2.09 22.46 22.89 91.45 50.08 -64.04 -41.45 0.22 0.00 99.78 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 21 K H H 87.33 8.10 20.48 29.03 91.93 48.90 -65.50 -40.42 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.03 0.00 0.00 0.00 22 R H H 55.23 16.68 16.97 33.24 91.64 51.43 -63.29 -41.46 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 23 A H H 54.93 3.68 22.40 25.81 91.29 51.14 -63.63 -40.70 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 24 E H H 99.12 3.71 22.75 26.18 91.66 50.32 -64.60 -40.88 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 25 L H H 16.18 19.17 16.42 35.82 91.30 50.46 -64.09 -41.81 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 26 K H H 93.03 10.26 20.56 30.87 91.43 52.39 -62.69 -40.63 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 27 A H H 59.27 2.27 22.50 23.36 91.54 51.00 -64.02 -41.09 0.31 0.00 99.69 0.01 0.01 0.24 99.60 0.14 0.00 0.00 0.00 28 I H H 39.72 11.66 17.79 30.54 92.20 49.64 -65.67 -40.57 0.93 0.00 99.06 0.06 0.04 0.74 98.82 0.34 0.00 0.00 0.00 29 I H H 34.00 17.78 14.45 32.05 92.17 52.85 -67.54 -31.33 5.91 0.01 94.08 0.22 0.28 5.24 93.73 0.52 0.00 0.00 0.00 30 S H H 79.53 2.85 18.87 21.97 93.05 57.24 -81.40 -13.05 32.55 0.06 67.39 1.32 2.93 27.35 67.48 0.83 0.03 0.02 0.04 31 D C C 68.04 6.40 13.02 21.35 107.13 86.75 -97.83 106.52 97.79 0.32 1.89 82.72 11.95 2.92 1.52 0.39 0.00 0.09 0.42 32 V C T 105.29 5.59 11.41 19.23 94.44 -168.84 -71.82 -16.36 98.69 0.22 1.08 7.17 10.18 81.46 0.41 0.53 0.00 0.13 0.12 33 N C T 138.48 0.58 15.36 13.98 94.45 59.94 -89.22 0.40 99.34 0.13 0.53 5.38 11.64 82.39 0.13 0.33 0.00 0.08 0.04 34 A C S 27.35 13.01 6.96 20.27 120.54 105.99 -79.68 151.68 99.54 0.26 0.20 29.94 69.07 0.55 0.10 0.06 0.00 0.06 0.22 35 S C C 62.45 1.88 16.89 17.92 118.79 -103.27 -69.30 160.28 99.79 0.11 0.10 99.13 0.63 0.08 0.05 0.01 0.00 0.03 0.07 36 D H H 104.75 4.34 12.15 18.58 91.50 -104.58 -58.12 -38.36 1.77 0.00 98.23 0.31 0.31 0.90 98.12 0.36 0.00 0.00 0.00 37 E H H 135.31 1.15 16.44 16.49 91.69 52.90 -64.18 -40.62 0.84 0.00 99.16 0.08 0.07 0.56 98.90 0.39 0.00 0.00 0.00 38 D H H 65.18 5.87 15.94 23.15 92.10 48.42 -66.36 -39.71 0.49 0.00 99.51 0.08 0.04 0.27 99.15 0.45 0.00 0.00 0.00 39 R H H 53.46 15.91 13.39 29.23 91.57 52.19 -63.29 -42.07 0.24 0.00 99.76 0.04 0.02 0.12 99.73 0.10 0.00 0.00 0.00 40 W H H 125.34 4.71 20.16 25.09 91.85 49.99 -63.98 -41.56 0.22 0.00 99.78 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 41 N H H 87.07 2.40 22.79 23.90 91.72 49.80 -64.14 -41.19 0.27 0.00 99.73 0.02 0.01 0.18 99.77 0.03 0.00 0.00 0.00 42 A H H 9.48 15.93 16.73 33.87 91.79 50.65 -63.65 -42.36 0.27 0.00 99.73 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 43 V H H 34.34 15.40 18.41 33.82 91.72 51.10 -62.92 -42.35 0.21 0.00 99.79 0.01 0.00 0.13 99.80 0.04 0.00 0.00 0.00 44 L H H 87.02 2.87 22.59 24.43 91.60 50.05 -63.77 -41.97 0.21 0.00 99.79 0.01 0.01 0.14 99.69 0.14 0.00 0.00 0.00 45 K H H 97.41 5.63 21.28 27.36 91.69 49.51 -65.03 -40.70 0.41 0.00 99.59 0.02 0.01 0.32 99.07 0.57 0.00 0.00 0.00 46 L H H 10.10 22.80 13.67 36.29 91.18 51.14 -64.72 -38.37 1.06 0.00 98.94 0.05 0.04 0.91 96.65 2.36 0.00 0.00 0.00 47 Q H H 98.02 9.08 18.45 28.13 90.93 56.78 -66.73 -24.82 14.17 0.00 85.83 0.24 0.36 14.11 83.05 2.22 0.01 0.00 0.00 48 T C T 101.89 1.71 20.33 21.08 94.68 51.70 -90.00 -6.01 53.78 0.03 46.19 1.18 2.02 49.76 44.65 2.35 0.01 0.01 0.03 49 L C S 28.23 19.33 8.88 27.42 116.47 110.57 -72.60 142.39 99.71 0.11 0.18 25.46 73.98 0.29 0.14 0.03 0.00 0.02 0.08 50 P C C 72.35 4.55 18.86 23.91 113.23 -103.66 -64.98 148.90 98.17 0.57 1.26 96.35 1.20 0.85 0.39 0.55 0.00 0.16 0.49 51 R C T 135.17 10.84 13.78 24.97 96.27 -115.96 -66.67 -25.86 79.42 0.66 19.92 15.73 17.08 45.67 1.91 18.78 0.00 0.30 0.52 52 D C T 93.94 4.88 18.47 24.08 102.99 59.93 -92.91 52.84 82.88 0.66 16.46 20.82 12.91 48.32 1.66 15.55 0.00 0.32 0.41 53 S C C 37.41 15.03 12.90 27.86 106.07 145.14 -91.40 46.60 84.46 1.02 14.53 54.91 18.74 8.86 2.23 13.98 0.00 0.40 0.89 54 S C C 42.40 6.93 18.36 26.39 121.83 123.51 -94.78 152.23 96.22 0.52 3.26 60.71 34.03 1.25 2.78 0.50 0.00 0.10 0.63 55 P H H 70.83 10.40 15.25 26.44 92.10 -113.85 -59.60 -33.80 38.02 0.09 61.89 3.19 3.69 30.21 57.49 5.26 0.04 0.04 0.07 56 S H H 60.01 4.59 18.93 24.10 92.17 56.81 -65.84 -37.53 31.71 0.08 68.21 3.16 2.55 25.27 64.26 4.65 0.03 0.03 0.05 57 R H H 79.51 10.39 18.19 29.32 92.01 53.26 -64.98 -40.20 10.58 0.11 89.31 4.05 1.86 4.86 83.28 5.83 0.02 0.06 0.05 58 Q H H 39.50 17.49 17.63 34.65 91.85 51.47 -64.35 -41.61 7.37 0.11 92.53 2.64 1.06 3.72 87.52 4.94 0.02 0.06 0.03 59 R H H 103.06 9.25 21.38 30.82 91.80 51.06 -64.30 -41.17 8.73 0.11 91.16 2.09 1.25 5.35 86.66 4.50 0.05 0.06 0.04 60 N H H 65.31 5.77 22.79 28.91 92.36 49.28 -66.06 -39.94 16.35 0.20 83.45 4.22 2.20 10.20 79.20 3.94 0.04 0.10 0.09 61 R H H 54.61 13.26 19.73 33.23 92.30 51.26 -65.13 -41.31 19.49 0.53 79.98 5.88 3.75 11.12 75.40 3.20 0.11 0.23 0.30 62 C H H 13.06 16.84 14.93 32.61 92.08 51.11 -64.24 -41.22 14.22 0.50 85.28 7.21 2.46 5.97 80.98 2.86 0.04 0.21 0.28 63 R H H 149.08 3.16 19.91 23.58 92.43 50.54 -65.67 -39.99 10.16 0.20 89.64 2.22 1.47 6.94 84.70 4.35 0.11 0.10 0.09 64 Q H H 102.40 5.88 18.01 24.68 95.59 44.91 -73.72 -37.57 13.97 0.17 85.86 0.96 1.93 11.81 81.49 3.43 0.21 0.06 0.11 65 T H H 47.08 11.31 14.64 26.79 99.69 25.82 -101.02 -12.00 23.01 0.18 76.81 1.33 3.92 18.49 74.34 1.56 0.16 0.05 0.14 66 G C S 53.56 2.93 18.39 21.75 94.82 -117.68 78.87 10.93 99.36 0.21 0.43 35.34 36.05 28.00 0.15 0.26 0.00 0.09 0.12 67 R C C 88.16 10.41 13.69 25.30 119.14 129.22 -100.42 138.74 98.99 0.86 0.15 67.41 30.90 0.66 0.05 0.09 0.00 0.25 0.64 68 P C C 80.03 5.63 19.96 25.95 107.27 -108.71 -66.71 143.16 96.55 0.97 2.48 56.78 24.84 14.57 0.43 2.28 0.00 0.39 0.72 69 H C C 78.20 13.77 17.71 30.76 113.20 1.32 -102.37 119.08 92.28 1.94 5.79 51.27 20.89 19.99 1.22 4.45 0.00 0.75 1.43 70 G C C 17.00 13.33 18.28 31.93 119.46 160.85 -117.31 -102.29 85.43 3.31 11.25 46.25 27.52 11.54 3.85 7.25 0.01 1.41 2.17 71 F C S 62.47 13.67 19.26 32.83 98.08 -70.96 -78.84 -20.69 73.52 10.31 16.17 25.08 35.21 14.47 8.10 6.72 0.19 3.95 6.29 72 L H H 30.57 18.21 14.09 31.87 96.72 73.00 -75.73 -12.66 34.80 21.14 44.05 17.24 11.00 10.26 29.84 9.20 1.45 5.26 15.76 73 R H G 152.06 4.14 17.64 23.28 93.13 76.27 -64.46 -39.21 14.94 0.31 84.76 1.67 1.74 10.96 28.67 56.65 0.03 0.20 0.08 74 K H G 130.62 3.90 17.84 22.68 94.29 46.24 -71.68 -36.70 14.87 0.17 84.96 0.84 1.32 12.15 30.61 54.84 0.06 0.10 0.07 75 F H G 58.28 14.11 14.75 29.17 98.70 27.75 -101.77 -9.10 16.89 0.15 82.95 0.91 1.79 13.62 32.26 51.24 0.04 0.08 0.07 76 G C T 39.96 5.71 21.77 28.31 94.36 -119.12 75.23 16.77 99.13 0.34 0.53 15.95 18.06 65.23 0.17 0.30 0.00 0.18 0.12 77 L C C 20.63 18.16 16.16 34.58 133.77 112.30 -122.62 156.08 81.95 17.34 0.72 50.54 31.12 0.93 0.47 0.27 0.00 4.89 11.77 78 S C C 22.61 10.97 22.62 34.56 120.22 -108.99 -75.09 158.93 90.71 8.76 0.53 88.75 2.04 0.19 0.44 0.09 0.00 2.64 5.85 79 R H H 66.28 17.94 18.21 35.58 91.80 -112.44 -59.19 -37.92 3.85 0.01 96.14 0.55 0.99 1.88 96.41 0.17 0.00 0.00 0.00 80 I H H 78.69 7.00 23.99 31.13 92.03 53.60 -64.29 -42.17 1.37 0.00 98.63 0.14 0.15 0.93 98.63 0.14 0.00 0.00 0.00 81 K H H 75.16 9.83 23.90 33.85 91.91 48.18 -65.92 -41.03 0.46 0.00 99.53 0.07 0.03 0.28 99.48 0.14 0.00 0.00 0.00 82 V H H 2.84 25.64 16.91 43.00 91.33 50.15 -63.30 -43.50 0.16 0.00 99.84 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 83 R H H 83.26 13.01 22.38 34.82 91.56 50.83 -62.71 -42.53 0.18 0.00 99.82 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 84 E H H 90.50 3.67 24.32 27.46 91.77 49.23 -64.23 -42.28 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 85 A H H 12.38 12.26 17.96 32.18 91.43 49.85 -63.81 -41.67 0.28 0.00 99.72 0.02 0.02 0.17 99.72 0.06 0.00 0.00 0.00 86 A H H 14.33 17.76 14.36 32.33 91.89 50.99 -63.61 -41.98 0.62 0.00 99.38 0.06 0.03 0.43 99.20 0.29 0.00 0.00 0.00 87 M H H 114.11 5.03 17.91 24.00 91.00 51.27 -65.57 -30.69 3.21 0.01 96.79 0.07 0.10 3.15 96.27 0.40 0.01 0.00 0.00 88 R C T 150.85 2.22 17.02 19.10 92.41 51.85 -86.02 -2.47 65.08 0.02 34.90 0.17 0.89 64.78 33.44 0.70 0.00 0.00 0.02 89 G C T 46.18 6.92 13.89 22.25 94.70 -112.10 78.80 13.30 99.34 0.01 0.64 0.81 2.56 96.12 0.43 0.07 0.00 0.01 0.01 90 E C S 102.75 5.75 17.16 24.27 94.67 127.76 -75.61 -23.66 99.64 0.26 0.10 23.50 74.96 1.21 0.03 0.04 0.00 0.08 0.17 91 I C S 21.82 19.97 11.56 31.06 115.02 33.46 -126.69 99.40 99.28 0.60 0.12 28.01 70.53 0.70 0.03 0.06 0.00 0.17 0.50 92 P C T 77.36 5.93 19.82 26.62 112.73 -134.03 -65.38 138.73 98.78 0.31 0.91 13.30 12.73 72.54 0.12 0.92 0.00 0.17 0.21 93 G C T 42.87 5.79 19.41 26.00 96.06 21.20 85.33 -3.60 97.72 0.87 1.41 12.51 11.71 73.36 0.22 1.34 0.00 0.55 0.32 94 L C C 30.45 21.36 10.63 30.84 114.29 134.86 -79.37 133.11 92.85 4.66 2.49 78.82 10.97 2.45 0.81 1.67 0.00 2.11 3.17 95 K C C 121.74 4.36 19.11 24.70 125.01 -171.97 -118.75 146.85 87.85 7.60 4.55 76.45 7.59 3.23 1.77 2.72 0.00 4.24 4.00 96 K C C 115.81 8.55 14.15 23.81 113.61 -106.50 -73.08 141.17 78.32 5.85 15.82 57.68 11.70 8.22 2.97 13.83 0.00 3.88 1.72 97 A C C 58.37 9.61 10.06 20.42 105.74 -118.36 -76.01 115.65 81.09 2.22 16.69 46.81 15.56 17.09 1.72 16.81 0.00 1.34 0.67 98 S C C 87.22 2.16 11.50 14.83 105.61 73.84 -91.50 18.33 85.23 1.58 13.20 67.44 3.53 14.43 1.83 11.24 0.00 0.97 0.56 99 W C C 152.06 6.82 11.10 19.16 104.31 82.69 -87.24 17.30 99.86 0.09 0.05 99.66 0.15 0.10 0.02 0.01 0.00 0.04 0.02