# 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 103.18 5.80 12.10 19.22 107.99 -150.69 -83.49 106.91 99.69 0.11 0.20 99.58 0.11 0.10 0.14 0.01 0.00 0.04 0.03 1 A C H 67.24 3.34 10.75 15.48 100.40 129.76 -71.75 -37.45 49.70 0.71 49.60 43.78 0.95 4.81 48.71 1.17 0.00 0.29 0.28 2 T H H 94.21 1.69 10.58 12.84 95.71 54.45 -68.05 -37.55 27.21 0.37 72.43 16.95 3.26 6.81 71.38 1.31 0.00 0.16 0.13 3 M H H 115.62 2.12 11.16 14.16 93.65 54.12 -66.64 -38.02 9.51 0.13 90.35 5.50 1.30 2.73 89.20 1.16 0.00 0.06 0.04 4 E H H 102.00 3.65 11.97 16.93 92.87 52.65 -65.34 -39.34 3.64 0.06 96.30 2.06 0.48 1.16 95.49 0.75 0.00 0.03 0.01 5 L H H 89.02 2.72 13.55 17.10 92.48 51.31 -65.63 -40.64 1.44 0.03 98.53 0.73 0.18 0.55 98.16 0.36 0.00 0.01 0.01 6 V H H 81.28 2.42 14.71 17.41 92.06 50.31 -64.95 -41.88 0.60 0.01 99.39 0.26 0.06 0.24 99.28 0.15 0.00 0.00 0.00 7 L H H 83.32 3.99 14.65 19.60 92.08 50.04 -65.23 -41.46 0.30 0.00 99.69 0.09 0.02 0.15 99.63 0.12 0.00 0.00 0.00 8 V H H 76.12 4.04 15.10 20.10 92.01 49.93 -64.31 -41.76 0.23 0.00 99.77 0.04 0.01 0.13 99.71 0.10 0.00 0.00 0.00 9 F H H 119.48 2.19 16.23 18.33 91.91 49.83 -64.68 -41.90 0.32 0.00 99.68 0.03 0.01 0.22 99.59 0.14 0.00 0.00 0.00 10 L H H 90.12 2.81 16.35 19.30 91.97 49.38 -64.90 -41.78 0.49 0.00 99.51 0.04 0.02 0.36 99.35 0.24 0.00 0.00 0.00 11 C H H 59.26 5.47 15.15 21.71 92.23 49.75 -65.32 -40.60 0.81 0.00 99.19 0.05 0.03 0.62 98.42 0.88 0.00 0.00 0.00 12 S H H 57.99 4.18 15.71 20.82 92.36 51.59 -65.84 -39.92 3.36 0.00 96.64 0.08 0.08 3.25 94.43 2.15 0.00 0.00 0.00 13 L H H 100.03 2.48 16.85 19.16 92.64 50.58 -67.52 -38.81 13.80 0.01 86.19 0.17 0.29 14.25 82.94 2.33 0.01 0.00 0.01 14 L H H 83.78 4.60 16.18 21.51 93.22 50.53 -68.90 -36.55 9.88 0.02 90.11 0.33 0.53 9.05 88.61 1.45 0.01 0.00 0.01 15 A H H 45.64 6.36 14.57 22.37 92.18 55.92 -62.76 -42.86 2.78 0.01 97.21 0.52 0.27 1.79 95.29 2.13 0.00 0.00 0.00 16 P H H 75.13 2.86 16.89 20.05 91.94 50.57 -64.27 -40.41 1.50 0.01 98.50 0.28 0.10 0.96 96.74 1.91 0.00 0.00 0.00 17 M H H 101.89 2.48 16.98 19.27 92.26 50.58 -65.08 -41.40 0.58 0.00 99.42 0.11 0.04 0.34 98.14 1.36 0.00 0.00 0.00 18 V H H 69.71 4.56 15.55 21.23 92.43 50.16 -65.01 -41.47 0.86 0.01 99.13 0.19 0.08 0.50 98.59 0.64 0.00 0.01 0.00 19 L H H 86.92 3.71 15.69 20.22 92.26 50.09 -64.75 -40.63 1.73 0.01 98.26 0.33 0.15 1.08 97.74 0.69 0.00 0.00 0.00 20 A H H 58.69 2.41 15.48 18.08 92.51 50.77 -64.89 -40.44 4.28 0.02 95.70 0.66 0.37 2.92 95.03 1.00 0.01 0.01 0.01 21 S H H 59.08 2.72 15.21 18.30 93.45 50.82 -67.20 -38.46 11.79 0.05 88.17 2.07 1.16 8.14 87.11 1.46 0.01 0.02 0.03 22 A H H 52.06 4.48 12.88 18.83 92.93 53.68 -65.87 -38.40 15.40 0.12 84.47 4.84 2.53 8.45 80.69 3.34 0.02 0.05 0.07 23 A H H 64.76 2.80 13.15 16.91 93.20 54.30 -66.91 -36.10 21.02 0.18 78.80 6.91 3.46 11.23 73.57 4.62 0.03 0.08 0.10 24 E H H 126.78 1.95 12.88 15.28 94.98 53.96 -73.08 -25.62 30.25 0.27 69.49 12.29 4.90 13.95 63.63 4.94 0.02 0.11 0.15 25 K H H 127.67 3.11 11.21 15.65 99.52 61.77 -76.59 -19.94 37.60 0.42 61.98 19.11 7.23 12.60 54.55 6.07 0.02 0.18 0.23 26 E H H 126.73 2.93 10.77 15.11 102.56 65.41 -80.22 13.91 44.86 0.55 54.58 26.93 6.14 12.46 46.51 7.40 0.01 0.27 0.28 27 K C H 134.53 3.13 10.22 14.97 106.82 91.96 -86.99 89.37 50.27 0.85 48.87 27.46 8.83 14.64 37.46 10.72 0.02 0.40 0.47 28 E C C 136.30 2.35 10.81 14.32 107.17 61.44 -86.55 94.65 60.41 1.15 38.44 33.75 10.21 17.03 28.21 9.57 0.02 0.51 0.69 29 M C C 117.18 3.98 9.57 15.34 111.84 62.27 -92.10 122.15 75.31 1.32 23.37 41.09 20.36 14.51 15.67 6.83 0.01 0.46 1.06 30 D C C 76.13 4.98 9.41 16.38 110.38 -138.65 -93.64 113.28 97.91 0.51 1.58 79.22 16.65 2.02 0.80 0.68 0.00 0.17 0.46 31 P C T 97.10 3.61 9.79 15.45 93.53 -153.46 -66.52 -17.58 85.19 0.38 14.43 22.51 12.06 50.52 2.69 11.78 0.00 0.18 0.26 32 F C T 148.78 2.45 10.37 14.08 98.30 62.00 -88.12 -2.25 82.34 1.25 16.41 16.60 15.52 50.37 3.42 12.74 0.00 0.65 0.70 33 H C C 133.90 2.61 11.23 15.25 108.51 86.32 -97.80 90.29 79.62 4.08 16.30 44.74 18.43 16.43 4.05 12.02 0.01 1.94 2.39 34 Y C C 112.86 8.20 8.33 17.83 118.91 89.78 -101.59 137.49 89.40 3.64 6.96 63.80 19.19 6.02 3.94 2.92 0.00 1.48 2.64 35 D C C 85.08 3.37 13.24 17.81 109.28 -143.43 -92.09 114.44 94.57 1.15 4.28 88.05 4.57 2.05 3.38 0.76 0.00 0.44 0.74 36 Y H H 132.13 5.72 11.37 19.05 93.87 -154.75 -63.44 -34.92 5.21 0.02 94.76 1.70 0.84 2.63 93.72 1.09 0.00 0.01 0.01 37 Q H H 117.73 1.98 14.49 16.74 91.99 54.21 -65.20 -39.66 2.66 0.01 97.33 0.39 0.25 1.88 96.05 1.42 0.00 0.00 0.00 38 T H H 67.86 3.40 14.62 19.01 92.31 49.22 -66.49 -40.43 1.73 0.01 98.25 0.37 0.16 1.10 96.72 1.64 0.00 0.01 0.00 39 L H H 67.73 6.96 13.53 22.06 92.47 50.72 -65.70 -40.62 1.36 0.01 98.63 0.41 0.15 0.76 97.70 0.97 0.00 0.01 0.00 40 R H H 123.22 4.43 16.51 21.92 92.17 51.18 -64.59 -40.97 1.66 0.03 98.31 0.43 0.17 1.02 97.78 0.58 0.00 0.01 0.01 41 I H H 89.89 3.01 18.13 21.05 92.34 48.75 -65.34 -41.85 1.24 0.01 98.74 0.27 0.13 0.75 98.56 0.29 0.00 0.00 0.00 42 G H H 28.21 4.76 16.86 22.98 91.87 50.63 -63.86 -41.61 1.47 0.00 98.53 0.28 0.12 0.90 98.46 0.24 0.00 0.00 0.00 43 G H H 26.32 6.57 16.34 24.51 92.03 51.07 -64.22 -41.07 2.09 0.01 97.90 0.40 0.16 1.30 97.89 0.24 0.00 0.00 0.00 44 L H H 84.25 4.53 17.87 23.12 92.19 49.87 -65.43 -40.71 0.74 0.00 99.26 0.16 0.05 0.40 99.27 0.11 0.00 0.00 0.00 45 V H H 78.16 3.60 18.14 21.89 92.29 49.77 -65.02 -42.20 0.39 0.00 99.61 0.07 0.02 0.21 99.63 0.06 0.00 0.00 0.00 46 F H H 108.96 3.73 18.05 22.16 92.23 48.83 -65.57 -41.49 0.35 0.00 99.65 0.06 0.02 0.20 99.67 0.05 0.00 0.00 0.00 47 A H H 45.46 5.62 16.26 23.16 91.76 50.71 -64.62 -40.97 0.24 0.00 99.76 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 48 V H H 73.22 4.28 17.63 22.47 92.10 49.83 -64.98 -41.68 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.01 0.00 0.00 0.00 49 V H H 74.53 4.24 17.71 22.36 91.92 50.26 -64.04 -42.24 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 L H H 84.98 4.35 17.45 22.46 91.84 49.66 -64.84 -41.43 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 51 F H H 108.54 4.42 17.65 22.60 92.10 49.02 -65.38 -40.95 0.21 0.00 99.79 0.01 0.00 0.15 99.79 0.04 0.00 0.00 0.00 52 S H H 50.72 5.13 17.17 23.08 92.26 49.93 -65.39 -41.14 0.64 0.00 99.36 0.04 0.02 0.48 99.38 0.08 0.00 0.00 0.00 53 V H H 70.94 4.88 17.67 23.24 92.03 49.31 -64.88 -41.34 1.52 0.00 98.48 0.12 0.08 1.12 98.47 0.20 0.00 0.00 0.00 54 G H H 29.82 5.22 16.56 23.09 91.95 51.52 -63.66 -41.93 3.30 0.01 96.69 0.37 0.20 2.41 96.56 0.44 0.00 0.00 0.00 55 I H H 83.71 4.11 17.78 22.35 91.89 49.43 -64.95 -41.28 1.86 0.02 98.11 0.31 0.18 1.24 97.45 0.80 0.01 0.01 0.00 56 L H H 71.66 5.32 16.08 22.65 92.14 50.33 -64.59 -41.24 1.50 0.04 98.46 0.32 0.16 0.95 97.18 1.35 0.01 0.02 0.01 57 L H H 74.99 5.25 15.07 21.67 92.14 50.21 -65.12 -40.49 2.58 0.07 97.34 0.46 0.25 1.82 95.58 1.82 0.01 0.05 0.01 58 I H H 96.49 3.45 15.26 19.37 92.95 48.73 -66.89 -39.64 5.18 0.09 94.73 0.65 0.49 3.99 93.18 1.58 0.03 0.06 0.02 59 L H H 102.38 3.16 14.44 18.29 93.96 47.76 -73.34 -29.67 17.16 0.25 82.59 2.23 2.28 12.87 80.23 2.08 0.09 0.11 0.12 60 S C H 54.55 6.13 11.57 19.38 96.95 55.53 -84.63 -5.80 49.54 0.99 49.47 11.93 9.18 29.63 43.90 4.26 0.11 0.42 0.57 61 R C T 162.77 3.47 13.16 18.17 97.57 -129.92 40.90 24.21 64.86 1.36 33.78 19.46 15.14 31.47 24.14 8.31 0.06 0.60 0.83 62 R C C 148.59 3.55 13.16 18.05 103.79 119.91 -86.82 24.80 70.36 2.84 26.80 33.34 15.51 22.47 16.29 9.45 0.04 1.28 1.62 63 C C C 65.25 8.68 9.68 19.47 113.75 91.98 -95.60 120.25 78.73 4.01 17.27 46.70 15.42 16.61 9.47 7.65 0.01 2.06 2.08 64 K C C 148.92 2.29 14.19 17.19 109.94 -157.70 -94.03 112.21 83.09 6.42 10.49 53.85 15.50 13.22 5.41 5.18 0.01 3.30 3.53 65 C C C 64.75 8.49 8.45 18.06 115.77 121.82 -96.35 136.42 88.79 4.88 6.33 60.17 19.51 8.62 2.88 3.53 0.00 2.41 2.88 66 S C C 60.82 3.05 12.40 16.47 124.49 -139.36 -106.48 165.40 89.11 5.35 5.54 62.69 17.37 7.86 2.28 3.27 0.00 2.02 4.51 67 F C T 167.55 2.45 9.50 13.41 94.78 -94.86 -66.19 -25.09 93.38 0.59 6.03 6.67 16.40 70.16 1.25 4.79 0.00 0.32 0.42 68 N C T 136.36 0.72 10.91 11.12 98.53 49.41 -92.10 5.71 94.91 0.45 4.64 10.40 16.52 67.76 0.82 3.98 0.00 0.24 0.28 69 Q C C 95.73 5.85 7.85 15.59 116.17 102.60 -87.71 140.78 94.55 2.60 2.85 53.94 36.71 3.49 0.80 1.88 0.00 0.78 2.40 70 K C C 154.40 1.64 12.73 15.30 116.24 -121.38 -87.99 137.94 98.36 1.26 0.39 85.39 12.27 0.64 0.16 0.20 0.00 0.51 0.83 71 P C C 77.20 8.61 9.17 19.09 114.29 -106.43 -64.86 146.51 97.83 1.20 0.97 91.27 4.20 2.37 0.27 0.61 0.00 0.52 0.76 72 R C C 152.99 3.76 11.87 17.50 114.21 -128.78 -87.33 140.87 97.53 1.68 0.79 80.50 14.66 1.91 0.29 0.46 0.00 0.54 1.65 73 A C C 68.38 4.36 10.59 16.76 116.57 -110.62 -82.19 143.32 99.08 0.53 0.40 80.92 17.43 0.71 0.22 0.14 0.00 0.16 0.41 74 P C C 92.42 4.28 9.91 16.00 110.62 -103.00 -65.83 147.78 95.46 0.49 4.05 50.54 17.40 27.85 1.72 1.93 0.00 0.21 0.35 75 G C C 52.64 2.13 11.80 14.63 107.21 17.08 81.04 -12.84 91.67 0.63 7.70 44.21 21.85 25.93 4.56 2.70 0.00 0.22 0.53 76 D H H 97.39 2.74 10.97 14.77 106.66 48.89 -78.78 -37.58 33.18 0.29 66.53 13.55 14.84 6.85 61.60 2.88 0.01 0.08 0.19 77 E H H 133.97 1.89 12.27 14.77 94.63 -32.10 -66.03 -37.04 10.25 0.10 89.64 3.30 2.30 5.22 85.90 3.17 0.02 0.05 0.05 78 E H H 102.10 3.63 12.82 17.61 92.73 51.71 -66.34 -39.03 6.71 0.10 93.20 2.87 1.08 3.10 89.91 2.95 0.01 0.06 0.03 79 A H H 41.65 5.07 11.94 19.18 92.42 52.21 -64.30 -40.49 4.00 0.07 95.93 2.08 0.64 1.49 93.93 1.81 0.00 0.04 0.01 80 Q H H 104.38 2.86 15.04 18.59 92.29 51.26 -65.84 -39.10 3.66 0.08 96.25 1.75 0.57 1.50 94.68 1.42 0.00 0.05 0.02 81 V H H 78.25 3.80 14.73 19.36 92.51 50.23 -66.75 -39.87 3.76 0.09 96.15 1.51 0.53 1.74 94.62 1.51 0.01 0.06 0.02 82 E H H 107.75 4.05 14.98 20.12 92.59 52.10 -67.59 -36.03 6.61 0.11 93.28 2.05 0.88 3.52 91.76 1.69 0.01 0.06 0.03 83 N H H 86.19 4.73 14.02 19.93 97.54 51.30 -80.02 -14.16 18.73 0.25 81.01 5.97 2.36 10.29 78.68 2.44 0.02 0.14 0.10 84 L H H 93.16 4.21 14.12 19.37 100.59 75.44 -75.16 -21.21 22.60 1.25 76.15 11.84 4.31 7.83 71.25 3.61 0.04 0.74 0.37 85 I H H 95.98 4.92 13.73 19.70 100.70 50.08 -79.81 -20.62 23.52 3.79 72.69 15.03 4.23 6.34 67.45 3.43 0.06 2.65 0.80 86 T H H 71.42 5.67 13.07 20.00 106.79 50.99 -85.74 44.54 28.85 3.94 67.21 19.19 4.62 7.04 61.96 3.55 0.05 2.67 0.90 87 A H H 67.59 4.34 12.62 18.38 97.49 68.31 -67.41 -29.95 39.15 1.99 58.86 17.60 6.60 16.17 53.77 3.95 0.07 1.16 0.67 88 N C H 117.34 2.19 14.14 16.77 97.97 45.63 -87.76 4.20 56.64 1.28 42.08 20.63 9.52 27.11 37.45 4.06 0.04 0.61 0.57 89 A C C 53.04 7.70 9.78 18.95 105.22 110.63 -77.78 66.88 72.07 1.56 26.37 42.24 15.24 14.06 23.31 3.71 0.01 0.69 0.75 90 T C C 87.85 3.49 13.08 17.78 105.53 91.96 -82.27 -17.08 71.31 1.75 26.94 41.47 18.03 11.56 23.64 3.66 0.01 0.69 0.94 91 E C C 111.61 3.73 12.73 17.63 105.80 65.06 -77.17 128.20 63.87 0.72 35.41 42.16 16.26 5.05 32.76 3.17 0.00 0.27 0.32 92 P C H 72.07 5.74 10.79 18.15 100.28 -99.18 -68.29 -31.69 49.70 0.84 49.46 39.24 4.56 6.36 43.29 5.79 0.00 0.46 0.30 93 Q H H 110.94 3.29 11.08 15.75 98.62 54.26 -72.85 -32.15 39.50 1.23 59.27 27.33 5.63 7.62 49.62 8.65 0.01 0.67 0.46 94 K H H 137.05 2.28 10.80 14.21 98.12 57.13 -73.81 -30.69 36.65 1.29 62.06 22.31 6.62 9.08 51.05 9.72 0.02 0.68 0.51 95 A H H 75.09 3.08 8.65 13.30 99.10 58.64 -76.34 -19.73 45.55 1.28 53.18 26.21 7.61 12.98 44.68 7.27 0.03 0.63 0.59 96 E C C 139.99 2.08 8.67 12.18 101.84 63.50 -84.56 3.07 65.10 0.85 34.04 43.55 3.23 18.67 29.71 3.93 0.00 0.39 0.51 97 N C C 120.13 2.38 10.65 14.43 104.80 66.42 -81.12 56.27 99.86 0.03 0.11 99.33 0.24 0.33 0.07 0.01 0.00 0.01 0.01