# 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 110.64 5.54 10.71 17.75 112.65 -146.19 -87.52 123.59 99.81 0.06 0.13 99.63 0.13 0.12 0.07 0.01 0.00 0.02 0.01 1 L C C 112.65 3.38 9.50 14.49 107.56 -117.44 -76.89 113.32 74.11 1.20 24.70 61.50 1.50 12.23 18.81 4.69 0.00 0.64 0.63 2 R C C 171.72 1.64 9.67 12.40 99.51 -123.59 -74.22 -26.14 63.58 1.49 34.93 29.03 13.02 22.26 26.28 7.86 0.03 0.66 0.87 3 L H H 103.75 3.45 9.87 14.76 99.37 56.32 -78.31 -21.64 39.11 0.77 60.12 21.63 9.21 10.03 52.62 5.75 0.03 0.33 0.39 4 A H H 52.06 5.50 10.37 17.71 98.86 55.38 -68.43 -38.57 16.11 0.19 83.70 11.27 2.62 3.21 80.36 2.38 0.00 0.09 0.07 5 P H H 79.32 2.82 13.02 16.80 93.23 52.06 -65.16 -39.28 7.04 0.11 92.86 3.94 0.98 2.51 90.20 2.27 0.01 0.06 0.03 6 T H H 80.01 2.00 13.97 16.14 92.47 51.00 -65.94 -40.08 3.83 0.07 96.09 1.67 0.55 1.75 93.79 2.17 0.01 0.05 0.02 7 V H H 67.25 5.20 12.06 18.98 92.42 50.64 -66.18 -40.57 2.81 0.06 97.13 1.11 0.39 1.37 95.11 1.96 0.01 0.04 0.01 8 R H H 130.80 4.06 13.27 18.80 92.07 52.76 -64.85 -39.55 2.98 0.05 96.98 0.87 0.34 1.73 94.82 2.20 0.01 0.03 0.01 9 L H H 109.34 1.69 14.11 15.77 92.50 51.10 -66.29 -37.75 5.47 0.05 94.47 0.94 0.50 3.94 91.34 3.21 0.02 0.03 0.02 10 L H H 101.34 2.69 13.48 16.88 93.82 50.19 -70.76 -35.07 11.70 0.08 88.22 1.53 1.21 8.94 84.66 3.53 0.05 0.04 0.04 11 Q H H 87.82 5.76 11.67 18.89 94.56 53.43 -72.26 -33.03 19.40 0.19 80.40 3.93 3.23 12.84 74.96 4.75 0.08 0.08 0.13 12 A H H 59.25 4.23 11.25 17.04 94.53 63.68 -65.32 -37.99 23.64 0.40 75.97 7.15 3.55 11.89 48.64 28.31 0.06 0.22 0.18 13 P H H 97.99 1.85 12.22 14.57 94.61 53.60 -71.03 -25.26 26.89 0.50 72.61 7.22 3.43 14.60 44.47 29.74 0.05 0.29 0.20 14 L H H 110.89 3.28 10.09 14.80 98.46 57.29 -83.70 -8.39 30.87 1.03 68.10 9.61 5.17 15.45 39.25 29.38 0.12 0.56 0.45 15 R C T 158.08 3.19 9.20 14.27 106.46 84.49 -78.02 62.55 58.16 2.62 39.22 17.57 11.76 29.66 24.61 13.45 0.23 1.27 1.46 16 G C T 61.72 1.30 10.53 12.39 101.80 34.00 -71.63 4.41 76.02 2.47 21.52 27.54 13.02 36.52 11.07 9.42 0.03 1.35 1.06 17 W C C 178.83 2.65 8.05 12.67 111.91 113.43 -93.21 120.24 82.10 6.11 11.78 52.34 17.46 12.38 5.70 6.10 0.01 3.65 2.36 18 A C C 91.23 1.50 9.46 12.16 112.02 -130.09 -87.36 125.66 84.08 10.81 5.11 58.70 19.22 5.98 2.62 2.61 0.01 6.92 3.93 19 V C C 106.18 3.36 7.61 13.14 117.00 -153.32 -102.49 129.19 88.32 10.89 0.79 59.99 28.15 1.09 0.41 0.40 0.00 7.36 2.60 20 P C C 98.82 2.75 8.58 13.41 114.51 -113.87 -68.31 145.78 88.77 9.07 2.17 80.53 5.76 2.38 0.83 1.20 0.00 7.05 2.25 21 K C C 168.31 1.25 8.76 11.09 109.16 -138.29 -88.59 102.94 86.58 6.75 6.67 59.56 18.40 8.46 1.91 4.94 0.01 3.89 2.83 22 A C C 81.11 2.86 7.44 12.28 118.02 -145.27 -101.62 139.81 87.01 5.62 7.37 54.41 22.07 10.45 1.65 6.04 0.00 3.56 1.81 23 H C C 157.45 1.34 9.23 11.76 114.24 -147.57 -103.73 121.41 84.81 8.56 6.63 62.86 14.32 7.51 1.74 5.16 0.00 6.20 2.22 24 I C C 123.14 3.29 7.10 12.52 115.10 -161.21 -98.79 126.37 80.89 13.43 5.68 60.51 11.89 8.11 1.87 3.96 0.01 9.85 3.80 25 T C C 113.00 1.26 8.91 11.13 110.40 -172.11 -105.69 96.05 81.82 13.47 4.71 55.06 16.84 9.77 1.63 3.23 0.01 9.15 4.31 26 A C C 77.75 3.27 7.44 12.72 120.55 119.49 -107.87 146.54 89.03 8.87 2.10 51.02 34.14 4.50 0.66 1.45 0.00 5.27 2.96 27 K C C 160.35 1.26 10.03 12.27 117.87 -120.79 -93.79 141.49 96.62 3.14 0.24 61.38 34.91 0.79 0.08 0.15 0.00 1.68 1.01 28 P C C 100.89 2.85 9.01 13.95 116.29 -96.52 -66.86 149.92 98.05 1.20 0.74 88.28 7.44 2.33 0.18 0.54 0.00 0.66 0.58 29 A C C 67.82 5.22 7.68 14.85 113.34 -102.20 -67.78 144.66 96.77 1.67 1.57 89.67 4.01 3.12 0.40 1.02 0.00 0.78 1.01 30 K C S 175.97 0.74 10.29 10.87 97.04 -139.31 -78.38 -20.70 98.06 1.16 0.78 38.02 56.59 3.61 0.18 0.52 0.00 0.51 0.57 31 T C S 99.12 1.63 10.21 12.92 121.25 47.55 -117.60 136.18 97.64 2.17 0.19 16.73 80.67 0.82 0.04 0.09 0.00 1.02 0.62 32 P C C 110.94 2.10 11.11 14.91 113.30 -106.54 -68.65 141.62 96.04 3.72 0.23 91.25 4.53 0.54 0.09 0.11 0.00 1.83 1.65 33 T C C 63.95 9.47 6.38 16.49 117.80 -123.65 -86.92 143.21 95.88 3.83 0.30 92.02 3.29 0.22 0.19 0.07 0.00 1.05 3.16 34 S C C 63.62 1.76 13.38 15.11 119.27 -114.08 -73.72 161.55 99.08 0.48 0.44 97.16 1.83 0.16 0.39 0.04 0.00 0.15 0.28 35 P H H 110.01 1.67 10.73 13.51 91.36 -104.49 -58.24 -37.27 2.07 0.00 97.92 0.41 0.29 1.12 97.78 0.40 0.00 0.00 0.00 36 K H H 146.80 0.92 13.02 13.18 91.75 52.65 -64.39 -39.52 1.03 0.00 98.96 0.19 0.10 0.60 98.76 0.36 0.00 0.00 0.00 37 E H H 90.65 4.29 12.38 18.27 91.94 49.53 -66.46 -39.57 0.31 0.00 99.69 0.08 0.03 0.15 99.51 0.23 0.00 0.00 0.00 38 Q H H 85.58 5.38 13.07 20.06 91.78 51.18 -64.01 -41.18 0.13 0.00 99.87 0.03 0.01 0.05 99.86 0.04 0.00 0.00 0.00 39 A H H 62.32 1.98 16.01 17.62 91.64 50.16 -64.11 -41.71 0.11 0.00 99.89 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 40 I H H 96.61 2.09 16.80 18.45 92.10 49.08 -64.74 -42.06 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 41 G H H 27.70 5.40 14.54 21.67 91.54 50.45 -63.50 -42.07 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 42 L H H 88.55 3.27 16.73 20.54 91.66 49.69 -64.69 -41.35 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 43 S H H 59.88 2.29 16.90 18.89 91.87 50.60 -64.61 -41.52 0.14 0.00 99.86 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 44 V H H 80.46 2.73 16.60 19.48 92.03 49.40 -64.99 -41.81 0.16 0.00 99.84 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 45 T H H 69.29 4.03 15.75 20.61 92.06 49.50 -64.92 -41.88 0.25 0.00 99.75 0.02 0.01 0.19 99.69 0.09 0.00 0.00 0.00 46 F H H 113.80 2.85 16.03 19.30 92.03 49.92 -64.93 -41.49 0.35 0.00 99.65 0.02 0.01 0.28 99.45 0.24 0.00 0.00 0.00 47 L H H 95.80 2.23 15.94 18.08 92.04 50.42 -65.26 -39.94 0.50 0.00 99.50 0.02 0.02 0.43 98.83 0.70 0.00 0.00 0.00 48 S H H 60.68 3.20 14.78 18.70 92.66 50.46 -66.98 -38.53 2.96 0.00 97.04 0.06 0.08 2.97 94.88 1.99 0.00 0.00 0.00 49 F H H 121.30 3.50 14.86 19.09 94.46 45.99 -74.91 -33.41 15.20 0.01 84.79 0.19 0.40 15.85 81.43 2.10 0.02 0.00 0.01 50 L H H 95.14 3.54 14.60 18.95 93.98 49.37 -73.18 -30.47 22.14 0.10 77.76 1.40 2.64 18.45 75.20 2.09 0.09 0.04 0.08 51 L H H 94.79 2.53 15.47 18.32 92.82 59.65 -64.00 -43.00 20.84 0.22 78.95 5.01 4.22 12.33 73.77 4.38 0.06 0.10 0.13 52 P H H 71.46 3.37 15.59 19.64 92.62 49.21 -65.32 -39.95 14.07 0.15 85.77 4.67 1.69 7.89 81.02 4.55 0.02 0.08 0.07 53 A H H 50.39 4.83 14.69 20.87 92.23 51.58 -64.75 -39.51 6.82 0.07 93.11 1.92 0.85 3.92 87.98 5.24 0.02 0.04 0.03 54 G H H 35.34 2.95 15.43 19.15 91.86 51.73 -63.98 -40.88 5.51 0.06 94.43 1.29 0.68 3.44 90.79 3.73 0.02 0.04 0.02 55 W H H 134.16 2.64 15.65 18.63 92.40 50.29 -65.44 -41.27 3.33 0.04 96.62 0.60 0.38 2.23 93.03 3.69 0.02 0.02 0.01 56 V H H 70.55 4.99 13.51 19.90 92.28 49.88 -64.94 -41.56 2.28 0.03 97.69 0.32 0.21 1.64 93.87 3.93 0.01 0.02 0.01 57 L H H 100.18 2.78 14.13 17.63 92.11 50.37 -66.77 -36.54 3.57 0.01 96.41 0.27 0.22 2.89 90.60 6.01 0.01 0.01 0.00 58 Y H H 154.24 1.57 14.36 15.64 93.00 52.01 -71.73 -28.74 22.27 0.04 77.69 0.54 0.99 21.04 71.36 5.96 0.06 0.02 0.03 59 H C T 97.57 4.54 12.11 18.35 99.54 41.58 -102.34 1.99 59.13 0.09 40.78 4.17 2.27 51.36 37.41 4.67 0.01 0.04 0.08 60 L H H 77.33 5.98 10.55 18.67 93.13 96.75 -60.13 -42.22 4.73 0.02 95.25 1.42 0.64 2.57 88.62 6.73 0.00 0.01 0.01 61 D H H 101.82 1.12 14.49 14.69 91.98 51.63 -64.66 -39.46 3.00 0.01 96.99 0.40 0.25 2.09 89.36 7.88 0.00 0.01 0.00 62 N H H 92.87 1.84 13.63 15.56 92.82 49.55 -66.84 -39.12 2.97 0.02 97.00 0.47 0.29 1.98 89.45 7.79 0.00 0.01 0.00 63 Y H H 110.23 4.36 10.92 16.98 93.21 50.58 -67.37 -38.74 6.13 0.08 93.80 1.71 1.01 3.49 88.64 5.07 0.01 0.04 0.03 64 K H H 129.05 1.95 12.01 14.72 92.93 52.53 -67.47 -35.06 21.48 0.40 78.12 7.11 3.87 11.79 74.19 2.61 0.05 0.18 0.20 65 K H H 140.13 1.34 11.75 13.15 94.94 54.30 -71.03 -32.61 36.14 0.44 63.42 12.95 8.81 15.11 60.43 2.26 0.03 0.16 0.25 66 S H H 73.09 2.80 9.37 13.62 97.74 63.68 -74.15 -26.75 45.64 0.64 53.71 21.71 10.57 14.54 48.01 4.54 0.03 0.25 0.36 67 S C H 84.47 1.91 9.40 12.48 100.13 59.59 -78.22 -15.04 55.74 0.84 43.42 29.36 8.70 18.72 36.91 5.46 0.02 0.36 0.46 68 A C C 86.88 1.66 8.57 11.44 102.21 65.72 -81.23 2.53 71.67 0.71 27.62 52.44 2.16 17.13 24.34 3.17 0.00 0.34 0.41 69 A C C 79.31 2.91 9.91 14.35 104.32 72.33 -81.28 12.14 99.84 0.04 0.12 99.57 0.14 0.18 0.08 0.01 0.00 0.02 0.01