# 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 98.96 7.10 12.12 20.37 111.51 -155.57 -89.13 132.40 99.70 0.09 0.21 99.49 0.15 0.14 0.14 0.01 0.00 0.04 0.02 1 S C C 68.59 3.91 10.91 16.16 107.65 -121.54 -81.82 127.28 76.79 1.35 21.86 69.56 1.35 5.49 20.55 1.80 0.00 0.67 0.58 2 D C C 96.95 3.24 10.39 15.01 100.16 55.39 -76.46 -16.01 59.97 1.60 38.44 43.48 8.05 8.00 35.56 3.47 0.00 0.81 0.63 3 K H H 121.82 4.30 11.01 16.77 95.56 65.07 -69.09 -34.57 34.51 1.65 63.84 21.81 6.56 7.91 56.08 6.12 0.02 0.99 0.51 4 R H H 135.81 3.33 12.75 17.34 94.89 57.73 -69.68 -35.81 30.58 2.08 67.34 19.46 5.40 7.27 59.33 6.56 0.03 1.41 0.53 5 K H H 113.74 3.80 14.41 19.25 95.17 55.53 -70.23 -35.84 29.89 2.80 67.31 20.13 5.02 6.45 59.73 6.02 0.03 1.96 0.67 6 I H H 74.92 7.31 13.38 21.97 97.07 55.19 -71.54 -35.90 32.22 2.46 65.32 22.96 4.99 5.55 60.41 3.92 0.02 1.54 0.62 7 Q H H 94.02 5.72 16.34 22.83 95.67 55.54 -68.60 -38.45 38.30 1.53 60.17 25.90 5.40 7.02 57.56 2.81 0.01 0.86 0.43 8 H H H 96.43 6.16 16.73 23.65 94.01 53.17 -68.31 -38.62 36.25 0.97 62.78 23.53 5.57 7.42 60.33 2.35 0.01 0.46 0.34 9 E H H 96.94 5.76 18.45 24.70 93.12 52.50 -66.25 -39.91 13.48 0.29 86.23 6.73 2.38 5.10 83.64 1.89 0.01 0.14 0.10 10 G H H 22.67 9.86 17.16 28.03 92.96 51.52 -65.01 -41.16 11.13 0.34 88.54 5.30 1.75 4.81 85.88 1.95 0.02 0.19 0.11 11 I H H 62.27 9.32 18.60 28.67 92.58 49.85 -65.62 -41.95 5.39 0.39 94.21 2.93 0.88 2.21 91.85 1.76 0.01 0.29 0.08 12 I H H 73.82 6.52 20.12 27.35 92.35 49.78 -64.69 -42.03 3.57 0.41 96.02 1.81 0.57 1.55 93.86 1.79 0.01 0.35 0.06 13 A H H 39.60 8.36 18.94 28.31 92.20 51.12 -65.08 -40.98 5.09 0.42 94.49 1.96 0.69 2.70 91.79 2.42 0.02 0.35 0.08 14 L H H 60.75 10.97 18.79 30.00 92.76 50.18 -66.78 -38.98 9.18 0.47 90.34 2.47 1.16 5.85 87.10 2.88 0.05 0.34 0.13 15 I H H 71.80 9.18 19.44 29.00 93.69 50.81 -69.24 -38.32 21.25 0.79 77.96 6.10 3.25 12.74 74.85 2.27 0.07 0.42 0.31 16 N H H 79.72 6.56 21.20 27.94 95.88 48.33 -77.82 -19.20 44.38 0.95 54.67 16.50 4.65 23.02 52.85 2.12 0.02 0.42 0.43 17 Y H H 68.84 14.31 17.79 31.79 94.48 68.07 -66.64 -40.23 31.27 0.88 67.85 17.82 5.82 8.24 65.33 2.03 0.02 0.39 0.36 18 S H H 44.00 11.96 18.92 30.68 93.06 53.89 -65.16 -41.10 16.44 0.55 83.01 8.84 2.84 5.67 80.28 1.88 0.01 0.31 0.16 19 T H H 71.90 4.03 22.69 26.27 92.96 49.06 -66.63 -41.39 9.30 0.48 90.22 4.37 1.65 4.25 87.19 2.05 0.03 0.33 0.12 20 L H H 52.49 8.54 20.99 30.42 92.19 49.34 -65.02 -42.58 5.43 0.34 94.23 2.66 0.96 2.47 91.88 1.70 0.02 0.24 0.07 21 C H H 17.01 16.77 17.85 35.06 92.04 49.55 -64.17 -42.36 4.26 0.24 95.50 2.10 0.70 1.89 93.79 1.28 0.02 0.17 0.05 22 A H H 40.95 8.30 20.25 29.36 91.69 50.76 -63.54 -41.47 3.47 0.16 96.37 1.36 0.52 1.83 94.64 1.48 0.02 0.11 0.04 23 Q H H 101.90 2.82 23.45 25.44 92.07 49.62 -65.39 -40.90 5.62 0.19 94.19 1.33 0.70 3.69 92.22 1.82 0.05 0.11 0.06 24 K H H 68.75 11.23 19.95 31.40 92.53 48.50 -66.44 -39.74 10.08 0.19 89.73 2.23 1.23 6.85 87.56 1.90 0.05 0.09 0.08 25 C H H 19.06 16.76 15.02 32.13 91.98 52.24 -65.39 -39.04 12.77 0.39 86.84 5.36 2.07 6.39 82.48 3.29 0.05 0.20 0.17 26 D H H 86.25 3.24 20.57 23.62 91.98 53.68 -64.72 -37.74 14.18 0.48 85.34 4.52 2.05 8.30 77.39 7.17 0.09 0.32 0.17 27 V H H 79.41 3.88 18.26 22.48 92.75 50.79 -67.95 -37.65 16.06 0.55 83.39 3.75 2.26 10.58 75.82 6.90 0.15 0.35 0.20 28 L H H 40.33 14.24 11.81 26.33 95.47 51.88 -76.29 -22.05 26.72 1.02 72.26 7.16 4.43 16.68 64.60 5.87 0.23 0.55 0.48 29 K C T 128.25 5.91 13.71 21.11 100.07 87.65 -66.51 22.16 66.50 0.77 32.73 6.07 5.51 53.00 30.79 3.76 0.07 0.36 0.45 30 G C T 62.40 1.07 14.80 15.09 97.20 25.26 62.05 -0.91 83.52 0.38 16.11 8.98 9.12 64.94 13.22 3.31 0.01 0.17 0.26 31 H C C 102.95 6.30 9.61 17.50 108.42 84.45 -95.85 65.48 86.48 1.09 12.43 57.64 15.63 12.95 8.67 3.85 0.00 0.44 0.83 32 D C C 105.66 3.33 11.51 16.30 103.68 -134.16 -79.42 9.69 65.78 1.11 33.11 32.01 14.82 19.46 18.02 14.51 0.02 0.48 0.69 33 D C T 109.35 2.83 12.68 16.74 99.69 83.75 -79.81 -5.07 58.36 1.03 40.61 18.85 14.62 25.43 23.13 16.80 0.06 0.48 0.62 34 K C H 124.47 4.34 14.02 19.57 102.54 69.34 -86.53 1.30 51.82 3.08 45.10 27.39 10.35 14.96 28.49 15.80 0.08 1.61 1.32 35 I C C 56.60 13.95 9.73 23.47 107.18 92.97 -87.95 82.52 53.67 4.32 42.01 36.68 9.32 8.78 32.83 8.24 0.04 2.39 1.72 36 T C C 84.67 4.74 15.30 21.05 104.58 103.98 -92.47 -0.35 61.60 3.13 35.28 41.47 9.35 10.89 29.74 5.62 0.02 1.70 1.23 37 D C C 88.01 5.65 14.10 20.81 107.79 69.75 -88.08 34.49 71.50 2.11 26.39 39.19 21.32 11.05 22.37 4.19 0.02 0.93 0.94 38 T C C 68.22 4.88 16.75 22.22 115.23 37.32 -93.61 154.92 68.97 2.08 28.95 46.94 16.86 4.55 28.15 1.79 0.01 0.74 0.97 39 E H H 87.49 12.58 13.88 26.33 94.03 -109.34 -61.35 -39.50 4.35 0.04 95.62 1.81 0.84 1.77 94.64 0.91 0.00 0.01 0.01 40 E H H 107.10 4.79 18.71 24.19 92.59 52.14 -64.95 -40.59 2.31 0.03 97.66 0.76 0.33 1.25 96.75 0.89 0.00 0.01 0.01 41 Q H H 80.23 4.49 20.31 25.20 92.10 49.43 -65.50 -40.75 1.22 0.02 98.77 0.47 0.17 0.60 98.01 0.74 0.00 0.01 0.00 42 C H H 15.47 15.68 16.61 33.24 92.13 51.03 -63.86 -43.10 0.69 0.01 99.30 0.29 0.09 0.30 99.09 0.22 0.00 0.00 0.00 43 L H H 42.19 14.51 19.47 33.88 92.21 50.21 -64.18 -42.05 0.40 0.00 99.60 0.14 0.05 0.19 99.54 0.08 0.00 0.00 0.00 44 R H H 122.80 4.32 23.73 28.16 91.76 50.38 -64.27 -41.71 0.28 0.00 99.72 0.08 0.03 0.14 99.70 0.05 0.00 0.00 0.00 45 V H H 48.32 7.47 22.75 31.08 91.73 48.63 -64.26 -42.93 0.25 0.00 99.75 0.06 0.02 0.14 99.75 0.03 0.00 0.00 0.00 46 C H H 14.84 16.88 19.74 37.02 91.78 49.12 -64.13 -42.66 0.28 0.00 99.71 0.05 0.02 0.17 99.73 0.03 0.00 0.00 0.00 47 A H H 24.59 12.99 19.54 33.13 91.73 50.68 -63.31 -41.83 0.34 0.00 99.66 0.05 0.02 0.22 99.67 0.04 0.00 0.00 0.00 48 E H H 95.30 3.38 23.29 26.07 91.74 49.96 -64.66 -41.33 0.48 0.00 99.52 0.06 0.03 0.33 99.52 0.06 0.00 0.00 0.00 49 K H H 77.47 7.92 20.47 29.07 92.24 49.14 -65.90 -41.10 1.05 0.01 98.95 0.13 0.07 0.76 98.90 0.14 0.00 0.00 0.00 50 I H H 24.68 16.99 15.21 32.56 92.30 49.29 -65.28 -41.31 1.79 0.01 98.20 0.30 0.16 1.20 97.84 0.48 0.00 0.01 0.00 51 R H H 111.55 8.50 16.79 25.95 92.23 51.87 -64.80 -38.79 4.20 0.03 95.78 0.60 0.34 3.09 94.50 1.43 0.01 0.01 0.01 52 Q H H 123.75 1.87 18.24 19.42 93.15 49.69 -69.74 -34.10 14.37 0.03 85.60 0.74 0.73 12.69 84.08 1.71 0.02 0.01 0.02 53 T H H 65.74 7.37 15.59 23.90 99.13 41.79 -88.88 -25.07 25.14 0.12 74.74 2.19 2.54 20.06 73.26 1.78 0.05 0.05 0.07 54 F C H 70.67 13.16 12.36 25.57 105.69 48.43 -100.02 32.28 53.46 3.16 43.38 25.99 14.34 14.35 39.12 3.36 0.09 1.37 1.38 55 E C C 119.00 4.55 17.76 23.04 101.95 -144.38 -66.69 52.55 57.25 4.73 38.03 37.75 6.73 11.89 34.63 4.51 0.03 3.16 1.31 56 F C H 75.75 12.49 13.07 25.91 109.77 75.78 -87.97 116.77 52.64 6.12 41.24 34.14 7.92 10.74 35.67 5.65 0.04 4.22 1.61 57 T C H 60.82 8.32 15.90 25.07 112.84 73.72 -93.95 142.17 51.54 4.90 43.56 33.74 7.93 10.06 38.39 5.29 0.03 3.25 1.31 58 N H H 83.14 8.52 15.10 24.26 97.75 -105.42 -72.08 -22.65 42.85 2.65 54.51 22.51 9.97 12.04 46.21 6.80 0.07 1.62 0.79 59 D H H 80.91 4.99 16.11 21.96 97.17 65.34 -71.07 -29.04 30.93 1.94 67.13 14.28 6.27 12.13 55.19 10.15 0.11 1.30 0.58 60 I H H 63.52 8.03 14.59 24.14 94.95 61.37 -68.12 -38.38 20.86 2.71 76.43 8.75 4.01 9.07 60.75 14.51 0.19 2.12 0.61 61 Y H H 74.11 12.19 12.98 25.68 94.59 54.30 -69.88 -34.29 21.25 3.70 75.04 8.42 3.99 9.60 58.06 15.99 0.31 2.83 0.81 62 L H H 89.69 6.55 13.89 21.61 95.70 56.82 -73.17 -26.43 33.79 3.36 62.85 11.18 6.11 17.45 49.12 12.44 0.32 2.39 0.99 63 K C H 141.54 2.35 15.07 17.82 97.89 54.15 -80.00 -17.56 51.21 3.12 45.66 14.68 13.45 25.39 36.16 6.92 0.36 1.64 1.41 64 N C C 67.42 8.08 10.75 20.46 110.73 56.08 -115.60 94.57 96.55 1.40 2.05 60.89 33.51 2.27 1.24 0.71 0.00 0.56 0.83 65 P C T 87.58 5.58 11.68 19.25 96.88 -165.56 -66.36 -17.03 84.56 1.07 14.37 26.63 9.86 48.49 3.32 10.61 0.00 0.60 0.50 66 N C T 112.70 3.05 13.63 17.77 100.21 64.57 -86.58 14.85 82.53 2.35 15.12 24.60 10.27 48.39 3.36 11.04 0.00 1.43 0.90 67 L C C 69.11 11.58 9.14 21.16 109.39 124.70 -84.01 114.42 78.23 7.83 13.94 54.56 12.81 10.37 3.31 11.09 0.01 4.88 2.97 68 T C C 90.22 3.97 12.75 18.30 114.56 -167.65 -99.27 126.98 82.34 11.03 6.63 57.48 15.09 9.12 2.24 4.57 0.01 6.68 4.80 69 K C C 128.57 4.89 10.21 17.13 116.59 -130.58 -92.24 133.95 94.53 5.12 0.35 67.02 27.16 0.88 0.12 0.21 0.00 3.18 1.42 70 P C C 90.39 4.85 9.38 16.18 111.08 -106.79 -66.62 146.42 98.19 1.53 0.28 95.85 1.40 1.21 0.09 0.11 0.00 0.93 0.41 71 N C C 125.44 2.18 11.77 15.31 105.88 -114.50 -83.18 101.19 99.84 0.12 0.03 99.45 0.29 0.15 0.01 0.01 0.00 0.06 0.03