# 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 F C C 117.81 7.95 11.75 20.84 115.88 -164.40 -94.86 131.26 99.79 0.17 0.04 98.95 0.81 0.09 0.02 0.01 0.00 0.08 0.03 1 V C C 97.62 4.38 11.66 17.65 113.39 -141.53 -90.15 136.63 97.09 1.74 1.17 92.47 1.61 3.43 0.29 0.59 0.00 1.23 0.39 2 N C C 105.96 5.26 11.80 18.75 111.10 -135.77 -91.49 114.95 89.95 8.61 1.44 66.74 15.64 7.04 0.24 1.42 0.00 7.93 0.98 3 Q C C 85.05 10.05 13.89 24.73 120.29 -173.75 -110.38 136.21 57.54 41.41 1.05 45.80 9.45 2.11 0.27 0.90 0.00 38.35 3.11 4 H E E 90.77 10.50 17.66 28.66 121.10 -156.87 -107.41 135.46 38.73 60.91 0.36 34.29 3.13 0.38 0.22 0.20 0.00 52.57 9.21 5 L C C 34.35 18.12 16.47 34.48 116.70 -147.75 -99.23 131.97 56.62 43.16 0.22 52.91 3.09 0.29 0.11 0.12 0.00 37.20 6.29 6 C C C 37.59 11.11 22.11 33.25 131.40 -163.15 -119.09 166.66 94.50 4.70 0.80 84.21 10.13 0.41 0.82 0.13 0.00 2.87 1.43 7 G H H 23.41 15.24 19.04 33.47 97.68 -61.02 -35.41 -63.99 7.34 0.04 92.62 0.68 1.46 5.29 91.19 1.31 0.03 0.01 0.03 8 S H H 63.80 6.48 21.97 28.89 92.56 31.59 -66.96 -36.81 3.60 0.02 96.38 0.28 0.36 2.90 95.11 1.33 0.02 0.01 0.01 9 H H H 68.06 10.95 21.21 32.34 92.29 51.84 -66.23 -38.84 0.76 0.01 99.23 0.18 0.07 0.42 98.51 0.81 0.00 0.00 0.00 10 L H H 12.25 22.92 18.56 41.24 92.00 52.90 -63.97 -43.29 0.08 0.00 99.92 0.02 0.00 0.04 99.90 0.04 0.00 0.00 0.00 11 V H H 30.60 16.19 21.70 37.52 91.80 50.26 -63.56 -43.09 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 12 E H H 92.98 4.89 25.84 30.80 91.64 50.08 -64.16 -42.16 0.02 0.00 99.98 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 13 A H H 13.85 15.13 21.09 36.96 91.67 50.76 -64.06 -43.01 0.04 0.00 99.96 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 14 L H H 10.44 22.89 19.55 42.20 92.06 50.50 -64.46 -43.03 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 15 Y H H 86.85 11.90 20.46 32.30 91.62 51.13 -63.67 -41.59 0.16 0.00 99.84 0.01 0.00 0.13 99.79 0.07 0.00 0.00 0.00 16 L H H 85.76 5.33 22.24 27.63 92.29 49.13 -66.37 -40.92 0.63 0.00 99.37 0.01 0.02 0.63 99.18 0.15 0.00 0.00 0.00 17 V H H 36.58 14.26 18.13 32.55 96.51 39.77 -78.39 -38.97 2.80 0.01 97.20 0.04 0.11 2.88 96.76 0.20 0.01 0.00 0.00 18 C H H 17.42 17.02 13.31 30.94 99.57 33.04 -102.74 -14.32 22.94 0.32 76.75 2.45 4.09 17.15 74.90 0.86 0.18 0.08 0.28 19 G H G 32.02 8.10 14.96 24.64 107.73 101.95 39.08 -115.81 39.23 0.52 60.26 9.83 3.98 23.94 5.69 56.02 0.00 0.32 0.23 20 E H G 159.20 1.19 15.58 16.35 93.14 7.37 -71.15 -22.08 33.87 0.24 65.89 1.25 2.80 28.54 5.39 61.76 0.01 0.14 0.12 21 R H G 138.81 4.62 15.23 20.83 95.32 53.23 -91.62 -3.31 34.18 0.25 65.57 1.41 3.52 28.01 5.18 61.60 0.01 0.13 0.13 22 G C T 24.94 10.11 15.05 26.20 113.31 -114.87 89.91 9.50 88.40 1.82 9.77 17.00 19.56 51.79 2.40 7.30 0.01 0.92 1.03 23 F C C 69.81 13.05 14.80 28.25 119.46 -33.86 -107.90 135.02 87.83 8.83 3.34 58.14 19.19 10.11 1.01 2.44 0.00 4.09 5.02 24 F C C 87.48 9.96 16.26 27.11 114.54 -166.12 -106.15 120.53 87.03 10.26 2.72 51.78 24.36 11.01 0.77 2.10 0.01 5.31 4.67 25 Y C C 95.75 10.39 13.18 24.55 118.82 -141.01 -108.77 131.68 88.72 9.54 1.73 57.62 24.98 5.95 0.55 1.29 0.00 4.93 4.67 26 T C C 67.39 6.14 13.37 21.15 116.92 -162.75 -111.14 123.87 94.44 5.02 0.54 73.01 19.78 1.60 0.23 0.33 0.00 2.45 2.60 27 P C T 81.94 6.68 10.16 18.40 99.47 -126.39 -65.31 -18.41 80.18 1.39 18.43 24.70 16.74 39.49 8.56 9.01 0.01 0.69 0.79 28 K C T 161.94 1.42 11.95 13.62 98.66 51.14 -80.79 -5.15 74.05 1.30 24.65 19.84 16.52 38.24 13.61 10.27 0.03 0.61 0.87 29 T C C 79.14 4.22 10.90 16.71 115.66 65.37 -106.72 135.82 65.72 3.23 31.05 33.96 17.92 14.78 18.89 11.16 0.05 1.49 1.74 30 R C C 138.39 6.03 10.49 18.13 109.94 -141.96 -83.96 128.02 56.58 3.83 39.59 37.09 9.88 10.23 29.96 9.16 0.04 2.11 1.54 31 R C C 118.55 7.11 11.78 20.24 113.44 -151.01 -94.68 135.40 54.18 3.65 42.17 34.99 10.00 10.21 32.91 8.44 0.04 2.04 1.36 32 E C C 98.93 5.54 14.51 21.19 107.52 -133.46 -81.47 120.91 52.17 2.58 45.25 37.21 7.38 8.47 36.76 7.73 0.02 1.42 1.01 33 A H H 47.14 10.07 11.96 22.94 95.88 -110.39 -68.45 -33.36 29.08 1.00 69.92 18.50 5.53 6.76 57.50 10.79 0.02 0.56 0.34 34 E H H 112.41 3.98 14.86 19.89 94.00 58.30 -67.44 -35.63 23.30 0.85 75.85 11.87 4.25 8.09 60.73 14.22 0.04 0.54 0.26 35 D H H 85.27 4.34 15.05 20.38 94.47 53.06 -71.40 -27.33 25.32 0.90 73.78 12.04 4.24 9.51 58.20 15.10 0.05 0.56 0.30 36 L H H 66.10 10.87 11.91 23.42 95.29 56.68 -74.62 -22.80 31.89 1.22 66.89 15.32 5.71 12.31 53.33 12.06 0.07 0.69 0.51 37 Q C H 99.37 6.81 13.55 21.48 97.60 60.78 -78.02 -13.69 51.77 1.59 46.64 21.25 9.52 23.05 37.44 7.04 0.10 0.72 0.87 38 G C T 45.16 4.76 14.47 20.31 102.24 49.43 -49.24 -31.19 76.23 0.86 22.92 23.66 15.07 38.19 16.72 5.44 0.02 0.37 0.55 39 S C C 69.44 5.38 13.10 19.72 103.72 53.59 -83.78 12.54 84.21 1.39 14.39 39.62 19.41 25.98 8.05 5.47 0.00 0.58 0.89 40 L C C 84.80 8.65 11.53 21.16 104.99 89.60 -85.87 15.03 83.38 2.23 14.39 50.48 23.49 9.59 9.29 4.65 0.00 0.81 1.69 41 Q C C 101.17 5.21 14.38 20.80 110.88 96.75 -84.16 129.98 77.76 1.04 21.20 58.39 13.31 6.11 15.18 5.92 0.00 0.44 0.66 42 P C C 75.26 6.67 13.06 21.05 100.76 -108.41 -66.46 -24.07 53.75 1.23 45.02 33.33 7.16 13.36 24.90 19.99 0.01 0.69 0.57 43 L H H 91.01 6.92 12.86 20.96 100.58 59.06 -74.96 -19.71 44.73 2.03 53.23 25.14 7.10 12.46 29.68 23.67 0.03 1.16 0.76 44 A H C 57.23 6.98 12.64 20.95 102.13 68.10 -75.27 -19.83 48.21 2.68 49.10 29.57 7.91 10.79 28.04 21.16 0.02 1.50 1.00 45 L C C 96.55 6.72 11.35 19.33 103.39 63.36 -85.85 3.85 60.09 2.84 37.08 37.02 10.54 12.92 24.43 12.23 0.02 1.42 1.42 46 E C C 126.16 4.06 11.59 17.29 105.01 88.88 -84.76 33.45 71.33 1.75 26.92 37.01 15.80 19.08 19.74 6.61 0.02 0.77 0.97 47 G C C 50.62 3.69 12.46 17.50 109.53 22.70 43.54 -23.71 78.35 1.04 20.61 32.23 21.30 25.43 12.65 7.28 0.01 0.44 0.66 48 S C C 75.79 4.07 12.14 17.68 106.72 34.34 -86.74 80.75 77.49 2.27 20.24 49.83 13.89 13.60 12.43 7.90 0.00 1.16 1.19 49 L C C 90.28 8.88 10.04 19.88 108.92 75.39 -86.73 110.35 73.71 5.04 21.25 55.45 9.99 7.63 15.00 6.58 0.01 2.66 2.68 50 Q C C 108.47 5.55 13.06 20.10 112.56 101.75 -89.31 126.21 76.23 3.82 19.95 53.80 12.24 9.69 15.13 5.27 0.01 2.10 1.76 51 K C C 137.66 4.87 14.21 20.53 105.73 -119.16 -82.14 79.22 78.68 3.27 18.06 48.95 17.11 12.62 13.33 4.84 0.02 1.72 1.41 52 R C C 105.91 9.70 14.91 25.37 117.48 143.08 -103.30 136.29 83.35 2.67 13.98 58.96 16.63 7.04 11.88 2.85 0.00 1.21 1.42 53 G C C 16.70 12.27 18.97 31.73 123.43 -128.57 -81.88 174.50 77.27 3.79 18.94 57.52 15.84 2.19 19.87 0.81 0.00 0.97 2.79 54 I H H 24.19 20.78 19.38 39.48 92.88 -85.69 -62.10 -38.24 3.96 0.09 95.95 1.14 0.84 2.13 94.57 1.24 0.02 0.04 0.03 55 V H H 23.50 19.70 19.84 38.74 92.20 52.85 -64.12 -41.86 2.53 0.08 97.39 0.56 0.36 1.67 95.37 1.97 0.02 0.05 0.02 56 E H H 67.76 9.10 21.99 31.60 92.03 50.06 -65.47 -40.32 1.67 0.06 98.27 0.33 0.22 1.16 96.01 2.21 0.02 0.04 0.01 57 Q H H 55.84 10.23 21.36 32.21 92.66 50.60 -67.14 -39.06 3.34 0.08 96.58 0.46 0.41 2.63 93.86 2.51 0.05 0.04 0.03 58 C H H 13.14 19.41 16.57 35.91 96.49 43.79 -82.31 -29.51 20.13 0.18 79.69 1.02 1.45 18.52 75.92 2.71 0.19 0.07 0.13 59 C H H 35.09 15.42 16.43 31.84 98.61 48.65 -86.53 -23.70 48.10 0.30 51.60 2.43 4.02 40.67 50.13 2.27 0.15 0.10 0.22 60 T C T 85.16 4.04 19.57 23.82 101.48 37.21 -96.63 -20.89 65.30 1.07 33.63 7.81 23.59 33.86 31.27 2.20 0.14 0.31 0.81 61 S C S 60.00 5.20 19.09 24.96 131.32 19.20 -137.84 157.89 97.85 1.13 1.02 16.32 73.67 8.11 0.45 0.41 0.00 0.56 0.48 62 I C C 95.30 8.31 18.02 26.97 114.15 -98.90 -77.88 137.11 94.68 5.15 0.16 87.36 6.03 1.25 0.05 0.10 0.00 3.93 1.29 63 C C C 16.12 19.98 11.61 31.34 122.88 -153.81 -105.69 140.86 74.28 25.61 0.11 71.88 2.58 0.13 0.07 0.05 0.00 16.75 8.55 64 S C C 44.62 4.67 22.72 27.19 122.92 -133.39 -86.17 164.08 74.19 25.70 0.11 75.40 1.10 0.05 0.08 0.02 0.00 14.79 8.56 65 L H H 67.69 14.43 14.13 28.67 91.71 -102.31 -59.15 -37.31 1.21 0.00 98.79 0.09 0.10 0.97 98.37 0.46 0.00 0.00 0.00 66 Y H H 146.96 2.10 18.55 20.25 91.73 52.94 -63.67 -41.25 0.44 0.00 99.55 0.02 0.02 0.38 99.01 0.56 0.00 0.00 0.00 67 Q H H 73.06 6.88 17.21 25.30 92.00 48.30 -65.86 -40.91 0.20 0.00 99.79 0.02 0.01 0.16 99.05 0.76 0.00 0.00 0.00 68 L H H 13.52 20.43 12.48 33.01 91.92 50.25 -64.37 -42.44 0.31 0.00 99.69 0.03 0.02 0.23 98.91 0.81 0.00 0.00 0.00 69 E H H 80.13 8.19 15.86 25.23 91.40 51.62 -63.22 -40.14 1.41 0.00 98.59 0.08 0.07 1.26 96.45 2.14 0.00 0.00 0.00 70 N H H 105.09 1.60 18.15 18.72 92.48 51.31 -66.48 -36.00 8.29 0.01 91.70 0.24 0.26 7.89 85.94 5.66 0.00 0.00 0.00 71 Y H H 75.48 11.55 14.27 26.55 93.87 51.30 -70.51 -32.57 20.38 0.03 79.58 1.06 1.07 17.79 75.42 4.60 0.02 0.01 0.03 72 C H H 36.09 15.03 11.65 26.59 99.14 46.20 -93.06 -5.06 45.73 0.54 53.74 18.28 2.53 25.24 50.70 2.63 0.02 0.17 0.42 73 N C C 100.32 5.14 15.33 21.75 103.55 102.46 -79.44 69.24 99.88 0.07 0.05 99.53 0.23 0.16 0.03 0.01 0.00 0.03 0.02