# 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 114.43 3.77 12.18 17.27 110.47 -143.23 -87.73 114.67 99.87 0.06 0.07 99.85 0.04 0.04 0.04 0.00 0.00 0.02 0.01 1 L C C 103.52 3.67 10.17 15.20 101.11 162.81 -76.31 -14.41 60.98 1.57 37.45 56.47 0.70 4.12 36.16 1.22 0.00 0.65 0.69 2 T H H 84.37 3.47 9.93 14.92 95.52 74.94 -67.75 -38.72 26.58 0.62 72.80 17.43 3.43 5.95 70.80 1.85 0.00 0.30 0.24 3 L H H 113.81 1.42 12.17 13.61 93.40 52.27 -66.21 -39.43 10.32 0.37 89.31 5.53 1.56 3.42 87.16 1.99 0.00 0.22 0.12 4 L H H 99.34 1.77 13.13 14.99 92.84 50.28 -66.18 -40.39 4.33 0.13 95.53 2.42 0.56 1.42 94.06 1.43 0.00 0.09 0.03 5 F H H 89.42 6.02 11.84 19.32 92.79 50.73 -66.05 -40.16 1.92 0.04 98.03 1.00 0.23 0.71 97.47 0.55 0.00 0.03 0.01 6 Q H H 94.74 4.54 13.85 19.57 92.45 52.67 -64.12 -40.52 1.04 0.03 98.93 0.51 0.10 0.42 98.71 0.23 0.00 0.02 0.00 7 V H H 94.99 1.35 16.95 16.87 92.12 49.82 -64.96 -41.53 0.51 0.01 99.48 0.22 0.04 0.22 99.37 0.14 0.00 0.01 0.00 8 L H H 77.59 4.29 15.73 20.75 92.09 50.11 -64.95 -41.25 0.35 0.01 99.64 0.12 0.02 0.17 99.57 0.11 0.00 0.01 0.00 9 L H H 59.18 9.12 14.33 24.52 92.00 50.16 -64.34 -41.47 0.33 0.00 99.67 0.08 0.02 0.18 99.64 0.07 0.00 0.00 0.00 10 A H H 59.14 3.19 17.69 20.89 91.74 50.86 -63.61 -41.49 0.22 0.00 99.78 0.04 0.01 0.12 99.79 0.03 0.00 0.00 0.00 11 A H H 58.76 2.11 18.22 19.61 91.62 50.44 -63.73 -41.85 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 12 L H H 63.49 8.16 15.81 24.85 92.03 50.08 -64.91 -41.19 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 13 V H H 62.97 7.97 16.09 24.93 91.97 50.57 -64.12 -41.92 0.13 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 14 I H H 101.75 1.82 19.35 19.81 91.66 49.86 -64.40 -41.93 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 15 V H H 72.64 3.74 17.96 21.90 91.83 49.02 -64.86 -42.02 0.43 0.00 99.57 0.04 0.02 0.28 99.57 0.09 0.00 0.00 0.00 16 S H H 29.66 10.83 14.12 26.29 91.98 50.61 -64.51 -41.14 1.87 0.00 98.13 0.15 0.08 1.48 98.09 0.20 0.00 0.00 0.00 17 F H H 107.23 4.96 17.22 22.85 91.87 50.78 -64.64 -41.07 1.75 0.00 98.25 0.13 0.10 1.36 98.12 0.29 0.00 0.00 0.00 18 L H H 98.52 2.10 18.07 19.58 91.88 50.65 -65.12 -40.59 1.33 0.01 98.66 0.22 0.09 0.86 98.14 0.68 0.00 0.00 0.00 19 M H H 80.75 7.10 15.42 23.51 92.46 50.04 -67.47 -37.65 1.84 0.01 98.15 0.21 0.11 1.37 96.86 1.44 0.00 0.00 0.00 20 I H H 76.47 8.50 15.34 24.63 93.74 49.85 -68.97 -38.74 3.70 0.04 96.27 0.27 0.20 3.17 94.40 1.92 0.02 0.02 0.01 21 V H H 89.85 3.03 17.67 20.63 94.56 47.43 -71.76 -36.75 15.61 0.08 84.32 0.59 0.74 14.59 81.93 2.01 0.05 0.04 0.04 22 A H H 53.45 4.60 16.22 21.78 94.09 51.85 -72.60 -33.41 23.09 0.07 76.84 1.58 1.34 20.02 75.30 1.66 0.02 0.02 0.05 23 V H H 54.85 8.81 14.66 24.67 92.77 58.33 -63.75 -43.34 8.28 0.06 91.67 2.89 1.71 3.72 89.02 2.60 0.01 0.03 0.03 24 P H H 64.71 5.20 16.46 22.81 92.15 50.63 -63.94 -40.00 4.94 0.05 95.00 1.66 0.58 2.58 90.35 4.77 0.01 0.04 0.02 25 V H H 84.09 2.98 17.47 20.61 92.63 50.29 -65.58 -40.70 2.29 0.03 97.67 0.49 0.26 1.41 91.54 6.27 0.00 0.02 0.00 26 A H H 47.19 6.84 14.58 22.77 92.47 51.30 -65.53 -39.03 3.57 0.03 96.39 0.52 0.37 2.49 90.12 6.45 0.01 0.02 0.01 27 Y H H 125.16 6.36 14.18 21.71 93.31 49.44 -73.35 -25.12 19.63 0.13 80.24 1.72 1.69 16.06 74.91 5.43 0.06 0.06 0.07 28 A C H 70.82 4.14 13.41 18.72 95.66 59.73 -83.13 -9.60 52.86 0.66 46.48 9.37 10.19 33.99 42.34 3.30 0.10 0.23 0.48 29 S C S 49.88 6.82 9.46 18.24 117.85 95.21 -86.26 142.87 96.69 1.03 2.29 38.48 54.88 3.29 1.70 0.56 0.00 0.34 0.75 30 P C C 111.14 1.91 11.80 14.69 99.48 -119.99 -68.34 -8.35 79.55 0.83 19.62 38.48 17.26 23.90 6.69 12.71 0.00 0.35 0.60 31 Q C T 127.37 2.62 10.78 14.99 112.88 96.29 -90.45 130.53 74.10 0.68 25.21 16.45 20.45 37.79 8.86 15.54 0.01 0.29 0.61 32 N C C 96.01 4.12 12.68 18.08 100.82 -19.03 -8.87 48.46 74.54 0.67 24.80 39.42 10.83 24.39 11.20 13.33 0.00 0.28 0.55 33 W H H 115.52 9.71 9.42 20.18 95.02 157.26 -65.59 -32.36 37.14 0.47 62.39 18.55 6.12 12.27 40.76 21.80 0.01 0.22 0.28 34 S H H 83.01 1.74 14.39 16.45 92.91 58.13 -67.54 -32.51 29.63 0.25 70.12 8.27 4.43 15.10 45.96 25.97 0.02 0.12 0.14 35 Q H H 123.83 1.62 15.22 16.44 93.94 51.65 -73.14 -29.75 29.42 0.27 70.31 6.20 4.70 16.58 47.11 25.09 0.04 0.13 0.16 36 S H H 34.06 10.38 10.84 22.48 97.15 49.69 -87.17 -12.43 35.12 0.27 64.61 11.60 6.55 16.57 47.07 17.88 0.02 0.12 0.19 37 K H H 102.36 7.20 13.55 22.29 92.95 85.06 -61.38 -41.26 15.28 0.10 84.62 7.33 2.79 5.41 80.73 3.64 0.00 0.04 0.05 38 P H H 85.13 1.79 17.55 18.45 91.68 51.47 -64.22 -39.10 9.40 0.09 90.51 4.14 1.17 4.06 86.81 3.72 0.00 0.05 0.04 39 L H H 77.08 5.48 16.21 22.67 92.31 50.62 -65.62 -40.65 4.20 0.10 95.70 1.83 0.61 1.90 91.68 3.88 0.00 0.06 0.03 40 I H H 55.60 11.41 13.97 26.21 92.04 49.99 -64.24 -42.04 3.65 0.24 96.12 1.48 0.58 1.78 93.44 2.48 0.01 0.18 0.05 41 F H H 121.81 3.10 17.81 21.24 92.17 48.74 -64.89 -40.95 5.86 0.83 93.31 2.14 0.95 3.12 90.71 2.24 0.04 0.65 0.15 42 I H H 102.53 1.86 19.05 19.71 92.29 48.66 -65.39 -41.59 8.01 0.38 91.61 2.00 1.19 5.12 89.68 1.60 0.06 0.23 0.12 43 G H H 23.05 8.69 15.38 25.42 92.90 50.09 -65.05 -41.35 11.81 0.15 88.04 2.34 1.61 8.10 86.15 1.61 0.05 0.07 0.08 44 S H H 46.14 7.51 16.48 25.16 92.42 49.86 -65.07 -39.98 12.55 0.10 87.35 2.44 1.60 8.51 85.84 1.48 0.02 0.04 0.06 45 G H H 38.95 2.43 18.99 20.91 92.37 51.93 -64.18 -40.97 10.87 0.06 89.06 2.35 1.19 7.12 88.16 1.11 0.01 0.02 0.03 46 L H H 82.37 4.46 17.77 22.60 92.18 49.85 -65.22 -41.21 4.90 0.03 95.07 1.28 0.58 2.84 94.53 0.74 0.00 0.01 0.01 47 W H H 94.91 10.00 15.26 25.98 92.17 50.60 -64.64 -41.04 1.91 0.02 98.07 0.63 0.21 0.97 97.79 0.38 0.00 0.00 0.01 48 A H H 57.13 3.61 17.94 21.94 91.73 51.14 -63.75 -41.34 0.60 0.00 99.40 0.17 0.06 0.32 99.29 0.17 0.00 0.00 0.00 49 V H H 84.24 2.06 18.94 20.03 91.86 50.05 -64.29 -41.71 0.30 0.00 99.70 0.07 0.02 0.17 99.65 0.09 0.00 0.00 0.00 50 L H H 59.90 8.69 15.74 25.40 92.02 50.41 -64.78 -41.25 0.22 0.00 99.78 0.04 0.01 0.13 99.77 0.06 0.00 0.00 0.00 51 V H H 64.95 7.77 16.11 24.97 91.71 50.75 -63.77 -42.04 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 52 I H H 107.10 1.64 19.08 19.41 91.96 49.46 -64.63 -41.63 0.26 0.00 99.74 0.03 0.01 0.18 99.71 0.06 0.00 0.00 0.00 53 L H H 79.69 4.10 17.69 22.03 92.03 49.04 -65.07 -41.63 0.56 0.01 99.43 0.06 0.03 0.40 99.38 0.13 0.00 0.00 0.00 54 V H H 45.43 9.73 14.60 25.59 92.15 49.35 -64.72 -41.56 1.36 0.01 98.62 0.18 0.10 0.97 98.37 0.37 0.00 0.01 0.00 55 G H H 32.00 4.21 15.59 21.14 91.45 52.07 -63.32 -41.18 4.52 0.01 95.47 0.46 0.32 3.45 94.45 1.30 0.00 0.00 0.01 56 V H H 89.47 1.52 16.94 17.25 92.09 49.96 -65.22 -40.73 7.64 0.04 92.32 1.14 0.67 5.69 90.29 2.17 0.01 0.02 0.02 57 F H H 98.22 4.71 13.73 19.47 92.67 49.87 -66.36 -39.23 8.28 0.11 91.61 2.31 1.04 4.98 87.01 4.53 0.02 0.06 0.05 58 N H H 75.52 6.57 10.85 19.04 92.64 55.17 -67.65 -30.87 17.23 0.15 82.62 3.43 1.59 11.40 71.76 11.63 0.02 0.08 0.07 59 Y H H 166.03 1.51 11.92 13.87 93.03 55.08 -71.50 -26.62 28.84 0.21 70.95 3.66 2.38 21.52 60.06 12.11 0.05 0.11 0.12 60 L H H 128.88 1.18 10.48 11.84 96.73 54.85 -78.98 -20.05 40.20 1.57 58.23 9.37 5.46 25.44 48.80 9.18 0.15 0.96 0.64 61 V C C 101.27 3.28 8.20 13.07 104.10 57.76 -91.44 6.49 60.68 6.76 32.56 40.22 3.38 16.32 30.39 2.87 0.02 3.52 3.27 62 V C C 104.02 3.58 11.05 16.28 110.89 71.13 -91.32 112.07 99.88 0.11 0.01 99.87 0.04 0.02 0.00 0.00 0.00 0.06 0.01