# 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 105.82 8.29 12.77 22.08 115.96 -168.15 -93.74 131.14 99.89 0.09 0.02 99.85 0.06 0.03 0.01 0.00 0.00 0.04 0.01 1 A C C 61.86 7.04 12.15 20.61 114.81 -134.23 -85.91 136.35 92.54 5.38 2.08 89.07 0.95 3.20 1.07 0.60 0.00 3.99 1.12 2 R C C 147.93 5.60 14.06 21.40 116.31 -143.98 -96.36 128.94 82.81 14.62 2.57 64.01 14.43 4.17 1.49 1.17 0.00 11.86 2.88 3 V C C 36.45 14.85 12.44 27.91 121.63 -160.82 -111.82 136.61 84.65 13.83 1.52 77.11 6.95 0.81 1.17 0.45 0.00 11.03 2.48 4 T C C 54.74 5.31 22.50 27.77 122.74 -139.74 -88.97 159.38 82.78 15.30 1.92 81.26 2.06 0.38 1.94 0.22 0.00 9.28 4.87 5 V H H 30.89 20.18 13.36 33.11 91.80 -111.72 -58.61 -38.68 3.63 0.05 96.32 1.10 0.62 1.91 95.41 0.92 0.01 0.02 0.01 6 Q H H 110.50 3.65 20.14 24.45 91.65 53.50 -62.90 -40.74 2.08 0.02 97.90 0.38 0.22 1.40 97.05 0.92 0.01 0.01 0.01 7 D H H 68.65 3.72 20.84 24.50 92.30 48.67 -66.45 -39.17 1.70 0.03 98.27 0.39 0.20 1.09 96.98 1.31 0.01 0.02 0.01 8 A H H 5.37 19.66 13.30 33.64 91.99 52.48 -63.93 -42.76 1.36 0.02 98.61 0.42 0.19 0.72 98.18 0.46 0.00 0.01 0.00 9 V H H 37.74 13.72 14.86 29.13 92.09 50.84 -63.92 -41.02 1.26 0.02 98.72 0.33 0.16 0.72 98.38 0.38 0.00 0.01 0.01 10 E H H 148.42 0.93 19.37 18.32 92.41 49.52 -65.71 -38.92 1.73 0.02 98.25 0.27 0.16 1.22 97.79 0.54 0.01 0.01 0.00 11 K H H 122.33 4.10 17.01 22.04 95.85 43.11 -76.74 -38.22 3.51 0.01 96.48 0.18 0.27 2.98 96.11 0.44 0.01 0.00 0.01 12 I H H 42.78 14.69 11.88 26.66 101.69 28.24 -102.06 -16.99 10.79 0.05 89.16 1.11 1.78 7.39 89.34 0.31 0.02 0.01 0.03 13 G C S 53.74 2.18 18.64 20.85 97.96 -127.17 78.90 1.26 99.38 0.12 0.50 40.03 46.31 13.09 0.29 0.15 0.00 0.05 0.07 14 N C C 64.01 5.90 18.58 25.56 135.71 34.74 -144.06 154.11 98.11 0.79 1.11 51.63 45.47 0.83 0.99 0.16 0.00 0.15 0.76 15 R H H 100.41 14.62 15.64 29.84 92.71 -121.32 -63.43 -35.93 2.36 0.00 97.64 0.30 0.42 1.44 97.48 0.37 0.00 0.00 0.00 16 F H H 110.27 7.45 21.06 28.46 91.63 55.61 -63.87 -41.62 1.22 0.00 98.78 0.11 0.09 0.92 98.50 0.39 0.00 0.00 0.00 17 D H H 50.10 9.20 22.07 32.00 91.68 49.40 -65.68 -40.55 0.18 0.00 99.82 0.03 0.01 0.11 99.64 0.21 0.00 0.00 0.00 18 L H H 9.42 21.80 18.30 40.03 91.21 51.27 -63.22 -43.23 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 19 V H H 33.51 15.97 23.02 38.66 91.61 49.72 -64.19 -42.82 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 20 L H H 70.95 6.81 27.01 34.01 91.52 49.97 -63.47 -42.41 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 21 V H H 20.54 14.92 24.39 39.75 91.42 49.58 -64.19 -43.17 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 22 A H H 4.77 22.61 21.84 44.15 91.33 50.47 -63.54 -42.77 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 23 A H H 32.79 11.66 24.70 36.51 91.30 51.25 -63.03 -42.38 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 24 R H H 106.54 5.69 27.28 33.52 91.63 49.65 -64.53 -41.93 0.31 0.00 99.69 0.01 0.01 0.21 99.74 0.02 0.00 0.00 0.00 25 R H H 41.46 16.37 22.80 38.70 91.88 49.81 -64.70 -42.01 0.32 0.00 99.68 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 26 A H H 12.02 18.06 19.32 37.56 91.45 52.24 -62.37 -42.54 0.27 0.00 99.73 0.04 0.01 0.13 99.76 0.05 0.00 0.00 0.00 27 R H H 119.63 4.33 24.59 28.57 91.63 50.26 -63.82 -40.98 0.42 0.00 99.58 0.05 0.02 0.26 99.53 0.13 0.00 0.00 0.00 28 Q H H 68.21 6.82 20.23 27.87 91.86 50.42 -64.86 -40.48 0.92 0.00 99.08 0.10 0.06 0.65 98.82 0.36 0.00 0.00 0.00 29 M H H 34.93 16.07 13.91 30.16 92.22 51.10 -65.55 -38.65 2.54 0.01 97.45 0.32 0.19 1.87 96.81 0.79 0.00 0.01 0.00 30 Q H H 105.85 6.80 16.39 24.23 92.29 53.63 -68.36 -28.30 10.21 0.03 89.76 0.71 0.68 8.51 89.21 0.83 0.01 0.01 0.02 31 V C H 106.27 2.11 14.99 17.16 97.61 52.93 -86.57 -6.60 54.63 0.17 45.20 2.57 5.22 44.57 46.08 1.35 0.03 0.05 0.13 32 G C T 53.17 3.31 13.53 18.02 102.88 -91.91 89.14 8.14 88.04 0.22 11.73 14.66 10.45 62.12 11.17 1.35 0.00 0.09 0.16 33 G C C 41.89 6.54 11.09 19.14 114.21 153.87 -62.95 159.13 96.23 0.52 3.25 60.89 20.51 14.80 0.98 2.20 0.00 0.23 0.38 34 K C C 144.41 3.50 13.77 18.61 106.98 -83.36 -90.18 34.75 96.49 0.92 2.59 44.81 43.08 8.66 0.73 1.69 0.00 0.35 0.67 35 D C C 92.58 5.54 14.61 21.38 109.04 16.89 -95.48 107.19 97.61 0.80 1.58 69.17 24.21 4.05 0.44 1.21 0.00 0.35 0.56 36 P C C 62.04 12.20 11.33 24.16 106.93 -151.90 -68.01 131.35 93.73 0.55 5.72 48.79 14.62 29.29 0.94 5.77 0.00 0.28 0.31 37 L C C 100.41 6.32 16.71 23.82 98.76 -147.30 -81.59 -12.02 93.63 1.29 5.07 33.63 28.87 30.78 0.86 4.56 0.00 0.58 0.73 38 V C S 41.35 13.44 9.98 24.08 117.12 74.04 -103.25 125.90 96.73 1.43 1.83 34.67 60.28 1.94 0.96 0.66 0.00 0.47 1.02 39 P C C 81.95 4.16 14.41 19.82 110.64 -118.06 -67.20 146.20 92.85 0.64 6.50 81.24 6.18 5.51 1.84 4.50 0.00 0.33 0.39 40 E C C 128.58 5.36 11.03 17.98 105.02 -116.57 -75.50 36.87 73.58 0.86 25.57 39.61 13.97 18.71 4.32 22.43 0.00 0.40 0.56 41 E C C 138.61 2.69 12.37 16.38 102.96 74.09 -83.49 7.00 72.44 0.78 26.77 32.51 14.74 24.20 4.02 23.64 0.00 0.36 0.53 42 N C C 97.08 5.99 11.56 18.88 104.73 68.15 -93.23 60.41 78.62 0.64 20.74 40.61 16.96 19.76 3.24 18.66 0.00 0.28 0.49 43 D C C 82.27 7.80 12.68 21.71 105.75 147.31 -88.69 41.55 90.82 0.46 8.72 52.41 25.86 12.37 3.09 5.64 0.00 0.16 0.47 44 K C C 104.43 5.71 18.50 24.84 114.63 117.07 -83.64 141.13 91.82 0.71 7.47 65.30 24.16 1.68 7.40 0.70 0.00 0.16 0.59 45 T H H 43.03 16.17 16.44 32.27 93.06 -122.57 -60.71 -37.35 3.16 0.01 96.83 0.88 0.61 1.46 96.74 0.30 0.00 0.00 0.00 46 T H H 35.85 16.40 19.48 35.18 91.98 53.91 -64.11 -40.63 1.21 0.00 98.78 0.25 0.12 0.69 98.72 0.23 0.00 0.00 0.00 47 V H H 46.43 8.55 23.07 32.33 91.80 49.32 -64.59 -42.19 0.31 0.00 99.69 0.08 0.02 0.16 99.59 0.15 0.00 0.00 0.00 48 I H H 28.79 12.21 22.90 35.99 91.65 49.51 -63.50 -43.34 0.06 0.00 99.94 0.01 0.00 0.03 99.92 0.03 0.00 0.00 0.00 49 A H H 4.44 21.56 20.08 41.91 91.28 50.25 -62.51 -43.63 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 50 L H H 34.95 15.15 23.13 38.04 91.38 49.79 -63.42 -41.73 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 51 R H H 98.16 6.17 25.39 31.95 91.72 50.01 -64.40 -42.03 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 52 E H H 25.25 13.73 19.69 34.44 91.97 49.29 -64.52 -42.44 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 53 I H H 18.81 19.40 16.01 35.46 92.01 49.28 -64.24 -42.98 0.29 0.00 99.71 0.02 0.01 0.22 99.67 0.08 0.00 0.00 0.00 54 E H H 107.17 7.04 18.42 26.37 91.02 51.26 -64.42 -34.53 2.57 0.00 97.43 0.04 0.05 2.52 97.25 0.14 0.00 0.00 0.00 55 E C T 116.32 3.35 17.80 21.49 91.84 51.62 -84.44 -5.10 78.00 0.00 21.99 0.13 0.49 76.87 22.22 0.28 0.00 0.00 0.01 56 G C T 42.97 7.34 15.73 24.32 94.19 -114.83 76.92 14.96 99.66 0.00 0.34 0.39 0.84 98.55 0.20 0.02 0.00 0.00 0.00 57 L C S 61.95 9.90 17.79 28.87 94.83 127.35 -79.12 -19.36 99.20 0.36 0.44 32.76 64.35 2.13 0.26 0.18 0.00 0.12 0.20 58 I C S 14.44 23.07 12.21 34.77 120.70 61.98 -111.31 128.08 88.85 9.99 1.17 31.71 55.03 2.73 0.65 0.42 0.00 3.22 6.23 59 N C C 65.20 6.47 22.04 28.82 133.14 173.03 -130.99 166.41 91.04 7.04 1.92 84.21 5.34 1.46 1.11 0.72 0.00 4.33 2.83 60 N C T 90.52 11.39 14.45 26.19 92.77 -104.98 -67.50 -19.04 55.41 1.66 42.92 12.23 13.26 29.77 20.20 22.63 0.10 0.89 0.93 61 Q C T 133.08 1.89 18.74 20.46 93.92 68.24 -72.07 -21.60 52.83 1.74 45.43 11.38 10.92 29.83 22.97 22.96 0.13 0.95 0.87 62 I H H 57.74 12.58 14.61 27.51 98.48 52.62 -87.94 -15.61 47.28 3.67 49.05 19.21 12.11 16.66 26.75 21.66 0.14 1.99 1.47 63 L C C 38.14 18.20 10.85 28.00 111.85 86.67 -89.28 126.17 65.90 2.85 31.24 39.61 19.47 7.39 24.47 6.43 0.02 1.25 1.36 64 D C C 70.76 4.89 17.38 23.10 110.08 -139.54 -86.49 134.63 79.83 1.16 19.00 71.57 4.23 3.37 17.90 1.90 0.00 0.49 0.54 65 V H H 81.84 6.53 13.47 21.64 94.19 -136.10 -63.55 -36.18 7.13 0.09 92.79 3.74 1.36 2.24 91.18 1.42 0.00 0.04 0.02 66 R H H 151.52 1.66 16.19 17.52 92.02 53.15 -64.61 -40.66 3.69 0.05 96.27 1.21 0.52 1.89 94.67 1.66 0.00 0.03 0.01 67 E H H 85.50 4.56 14.68 20.65 92.14 49.24 -66.13 -40.23 3.20 0.05 96.76 1.28 0.39 1.48 95.02 1.78 0.00 0.03 0.01 68 R H H 94.51 7.61 13.64 22.68 92.17 51.55 -64.03 -41.27 1.70 0.02 98.28 0.72 0.21 0.68 97.81 0.57 0.00 0.01 0.00 69 Q H H 96.95 2.42 16.38 18.91 91.86 50.21 -64.15 -41.12 1.12 0.01 98.88 0.36 0.12 0.51 98.73 0.28 0.00 0.00 0.00 70 E H H 100.12 2.01 16.53 18.20 91.68 49.74 -64.75 -41.21 1.10 0.01 98.89 0.30 0.11 0.54 98.80 0.26 0.00 0.00 0.00 71 Q H H 78.62 4.93 14.59 21.02 92.16 50.14 -65.01 -40.40 1.03 0.01 98.96 0.26 0.10 0.51 98.90 0.22 0.00 0.00 0.00 72 Q H H 88.73 4.09 14.63 19.86 92.02 50.68 -65.11 -40.64 1.39 0.01 98.61 0.41 0.14 0.66 98.53 0.26 0.00 0.00 0.00 73 E H H 112.73 1.59 15.41 16.46 92.12 50.35 -64.85 -40.67 2.00 0.02 97.99 0.67 0.21 0.93 97.84 0.34 0.00 0.01 0.00 74 Q H H 101.41 2.01 14.41 16.58 92.35 49.81 -65.61 -40.27 3.16 0.03 96.82 1.14 0.36 1.48 96.51 0.50 0.00 0.01 0.01 75 E H H 95.72 3.60 12.54 17.53 92.51 50.57 -65.85 -39.16 5.41 0.04 94.55 1.82 0.63 2.73 93.87 0.91 0.00 0.02 0.01 76 A H H 66.24 2.40 11.84 15.26 92.68 52.35 -67.10 -35.38 11.87 0.08 88.05 3.12 1.43 6.99 86.75 1.63 0.01 0.03 0.04 77 A H H 79.16 1.51 11.16 13.14 94.69 54.56 -71.59 -28.03 29.73 0.22 70.05 6.94 3.72 18.86 68.29 1.96 0.02 0.08 0.13 78 E C H 135.83 1.95 9.81 12.91 98.38 60.16 -76.85 -13.58 61.58 0.33 38.10 30.51 1.75 27.17 38.47 1.75 0.00 0.13 0.20 79 L C C 109.18 4.20 10.18 16.00 101.99 79.53 -77.57 -3.32 99.92 0.02 0.06 99.78 0.07 0.10 0.04 0.00 0.00 0.01 0.00