# 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 108.48 6.79 10.16 18.30 113.93 -141.19 -86.39 130.41 99.93 0.05 0.03 99.80 0.10 0.06 0.01 0.00 0.00 0.02 0.01 1 S C C 77.95 3.32 9.68 14.70 112.51 -136.41 -86.86 132.43 95.13 1.48 3.40 88.99 1.26 5.74 1.22 1.30 0.00 0.72 0.77 2 D C C 120.43 1.72 9.53 12.62 103.83 -141.74 -87.51 32.24 91.98 2.32 5.70 47.40 20.45 24.48 1.41 4.00 0.00 1.12 1.14 3 G C C 52.24 3.02 9.83 14.38 109.71 49.69 -35.95 142.10 91.52 1.89 6.59 37.06 30.42 24.36 1.39 4.91 0.00 0.86 0.99 4 S C C 74.99 3.30 10.08 14.95 113.63 54.99 -89.21 134.84 87.50 3.15 9.36 52.27 21.44 13.69 2.56 6.71 0.00 1.44 1.89 5 I C C 113.65 5.28 8.71 15.53 100.79 -147.25 -87.59 5.50 82.95 3.75 13.31 43.81 17.46 21.97 3.12 9.78 0.00 1.69 2.16 6 S C T 81.90 2.57 10.31 14.58 106.28 112.24 -77.62 104.24 87.47 1.80 10.73 22.92 19.59 45.41 2.53 7.63 0.00 0.87 1.05 7 G C T 61.79 1.13 12.96 13.99 99.36 10.34 82.71 -1.13 90.58 1.68 7.74 25.48 28.52 37.25 1.69 5.38 0.00 0.83 0.84 8 L C C 68.01 8.93 7.26 17.36 117.79 112.13 -88.21 144.36 93.45 3.93 2.62 72.29 18.59 1.85 1.82 0.81 0.00 1.24 3.40 9 S C C 61.86 1.78 14.51 16.00 119.86 -119.94 -77.64 162.90 95.36 1.86 2.78 89.63 4.63 0.90 2.63 0.33 0.00 0.61 1.27 10 E H H 138.42 2.72 11.28 15.78 92.15 -104.29 -59.39 -38.53 5.01 0.02 94.97 1.30 1.06 2.57 94.07 0.97 0.00 0.01 0.01 11 A H H 76.03 1.10 14.20 14.37 91.99 52.39 -64.68 -40.46 3.53 0.02 96.45 0.68 0.44 2.26 95.44 1.17 0.01 0.01 0.01 12 E H H 95.22 2.86 13.92 17.57 92.05 48.73 -66.10 -39.53 1.97 0.02 98.02 0.57 0.24 1.08 97.01 1.09 0.00 0.01 0.00 13 A H H 34.89 6.68 11.29 20.26 91.76 52.25 -63.74 -41.52 1.01 0.00 98.98 0.32 0.11 0.48 98.65 0.44 0.00 0.00 0.00 14 K H H 121.67 2.11 15.75 17.97 91.72 50.24 -64.78 -40.70 1.12 0.01 98.87 0.21 0.09 0.67 98.70 0.31 0.00 0.00 0.00 15 E H H 108.24 1.66 16.20 17.07 91.96 50.21 -64.92 -41.39 1.59 0.01 98.41 0.22 0.11 1.07 98.28 0.32 0.00 0.00 0.00 16 F H H 102.13 3.83 15.18 19.89 92.04 49.54 -64.53 -41.70 1.44 0.00 98.56 0.25 0.12 0.87 98.52 0.24 0.00 0.00 0.00 17 H H H 94.52 4.66 14.78 20.64 91.83 50.57 -64.35 -40.67 0.91 0.00 99.09 0.16 0.07 0.52 99.08 0.17 0.00 0.00 0.00 18 S H H 60.65 2.27 15.99 18.25 91.84 51.21 -64.56 -40.71 1.07 0.00 98.93 0.13 0.06 0.72 98.87 0.22 0.00 0.00 0.00 19 I H H 97.60 2.08 15.97 17.77 92.15 49.69 -64.84 -41.75 0.63 0.00 99.37 0.07 0.04 0.41 99.32 0.16 0.00 0.00 0.00 20 F H H 106.65 3.95 15.05 19.85 92.21 49.23 -65.24 -41.50 0.40 0.00 99.59 0.06 0.02 0.23 99.60 0.07 0.00 0.00 0.00 21 V H H 75.82 3.40 15.45 19.54 91.85 49.23 -64.61 -41.59 0.31 0.00 99.69 0.04 0.02 0.19 99.70 0.06 0.00 0.00 0.00 22 T H H 76.04 1.90 16.65 17.95 91.92 49.95 -64.60 -41.48 0.30 0.00 99.70 0.03 0.02 0.19 99.70 0.06 0.00 0.00 0.00 23 S H H 53.59 3.07 15.37 19.16 91.96 50.57 -64.83 -41.25 0.34 0.00 99.66 0.03 0.02 0.22 99.67 0.06 0.00 0.00 0.00 24 F H H 101.41 4.75 14.92 20.58 92.01 50.11 -65.00 -40.86 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 25 F H H 117.62 2.42 16.25 18.72 91.89 50.28 -64.84 -41.33 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 26 L H H 95.87 1.72 16.73 17.61 91.77 49.59 -64.80 -41.43 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 27 F H H 103.87 4.12 15.19 20.14 91.98 49.57 -65.18 -41.55 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 28 I H H 81.73 5.11 15.22 21.16 91.90 49.52 -64.84 -41.66 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 29 V H H 87.33 1.66 17.82 18.26 91.74 49.52 -64.45 -42.00 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 V H H 83.32 2.10 17.76 19.19 91.86 48.83 -64.80 -42.06 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 31 A H H 37.33 7.25 14.29 23.23 91.85 50.59 -64.21 -41.42 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 32 V H H 77.10 3.61 17.28 21.19 91.56 50.11 -63.97 -42.05 0.10 0.00 99.90 0.00 0.00 0.08 99.90 0.02 0.00 0.00 0.00 33 V H H 88.67 1.42 18.95 18.39 91.72 48.91 -64.23 -42.06 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 34 A H H 45.67 4.53 15.77 21.65 91.84 50.05 -64.48 -41.38 0.48 0.00 99.52 0.02 0.01 0.39 99.49 0.09 0.00 0.00 0.00 35 H H H 82.07 7.28 14.78 23.22 91.95 50.55 -64.33 -40.90 1.90 0.00 98.10 0.04 0.04 1.84 97.87 0.19 0.00 0.00 0.00 36 I H H 98.53 1.87 17.16 18.29 91.66 49.39 -64.46 -41.50 1.49 0.00 98.51 0.06 0.06 1.31 98.28 0.29 0.00 0.00 0.00 37 L H H 92.96 1.92 16.50 17.83 91.74 49.78 -64.70 -40.65 1.49 0.00 98.51 0.10 0.08 1.18 96.74 1.90 0.00 0.00 0.00 38 A H H 41.25 6.51 12.58 20.99 91.84 51.44 -64.51 -40.28 1.82 0.00 98.18 0.08 0.07 1.51 92.82 5.52 0.00 0.00 0.00 39 W H H 137.05 4.13 13.84 19.11 92.35 51.61 -65.83 -37.54 2.49 0.00 97.51 0.08 0.08 2.17 89.55 8.12 0.00 0.00 0.00 40 M H H 123.55 1.42 14.74 15.60 92.67 51.92 -68.83 -32.92 10.01 0.01 89.98 0.19 0.27 9.90 82.75 6.88 0.01 0.00 0.00 41 W H H 142.71 3.35 12.67 17.08 96.59 46.64 -85.31 -19.11 28.78 0.04 71.18 1.37 1.99 25.25 63.03 8.27 0.03 0.01 0.04 42 R H G 105.70 8.09 9.97 19.38 95.28 78.29 -65.06 -33.34 18.79 0.15 81.06 3.22 2.12 12.67 9.10 72.76 0.00 0.09 0.04 43 P H G 95.15 2.49 12.43 15.96 92.23 60.88 -69.10 -20.23 21.63 0.09 78.28 1.52 1.55 17.11 6.58 73.14 0.00 0.06 0.03 44 W H G 188.20 1.53 12.14 13.87 96.50 53.47 -87.69 -6.63 23.62 0.25 76.13 2.45 2.97 17.08 5.45 71.82 0.00 0.15 0.07 45 L C S 77.70 6.63 7.77 16.27 115.54 89.90 -93.81 129.89 94.93 2.19 2.88 23.93 68.28 2.85 1.50 0.98 0.00 0.77 1.69 46 P C C 95.58 2.73 11.01 15.20 107.72 -118.94 -68.61 136.78 92.18 2.75 5.07 58.41 19.15 14.48 1.75 3.33 0.00 1.39 1.50 47 K C C 140.83 3.11 10.16 14.77 112.42 -110.01 -85.75 129.76 86.64 3.84 9.52 49.58 20.70 16.28 3.03 6.28 0.00 1.70 2.43 48 A C T 78.86 3.22 10.02 14.77 100.76 -78.53 -76.06 -5.69 80.09 1.62 18.29 24.12 20.77 36.31 4.67 12.38 0.01 0.75 0.99 49 T C T 100.34 2.56 11.36 15.00 106.68 73.80 -90.38 55.33 81.67 1.05 17.28 17.21 19.26 45.84 4.39 12.07 0.01 0.51 0.70 50 G C C 40.76 5.03 11.65 18.26 112.48 -89.00 85.94 134.22 82.76 2.62 14.62 39.96 19.51 24.02 4.76 9.12 0.01 1.30 1.32 51 Y C C 125.00 6.35 11.84 19.53 108.63 -85.31 -90.60 100.59 80.43 7.01 12.56 63.66 9.09 7.08 8.37 4.48 0.00 4.31 3.00 52 A C C 57.89 5.72 13.31 20.30 109.03 -155.51 -88.64 129.09 77.75 6.66 15.59 64.41 6.50 6.11 11.91 4.27 0.00 4.25 2.54 53 M C C 96.05 7.19 12.42 20.69 99.06 52.82 -75.53 -24.63 74.55 1.58 23.87 64.12 4.85 5.20 21.42 2.98 0.00 0.90 0.52 54 D C C 94.77 2.95 14.78 18.40 95.96 71.92 -69.99 -34.16 61.23 0.91 37.86 48.64 4.90 6.58 36.00 3.08 0.00 0.47 0.33 55 S H H 59.60 3.76 14.36 18.99 95.39 51.27 -69.36 -34.52 45.65 0.98 53.38 33.76 4.44 7.60 49.59 3.77 0.00 0.50 0.34 56 V H H 68.50 6.58 12.27 20.28 93.83 57.25 -66.65 -39.06 22.10 0.72 77.18 16.58 2.86 3.90 72.04 4.00 0.00 0.43 0.19 57 H H H 112.78 3.78 14.32 19.22 93.08 53.20 -65.90 -39.97 14.32 0.79 84.89 9.87 2.11 3.48 79.35 4.46 0.01 0.56 0.17 58 Q H H 108.17 1.94 15.14 16.98 92.64 51.31 -65.99 -39.82 12.71 0.87 86.42 7.80 1.94 3.91 80.00 5.50 0.01 0.66 0.18 59 L H H 83.52 3.87 13.17 18.27 92.95 50.78 -66.35 -39.88 11.02 0.60 88.38 6.17 1.73 3.82 81.65 6.04 0.01 0.45 0.14 60 T H H 67.13 5.25 11.39 18.14 93.18 51.81 -67.05 -37.67 11.83 0.66 87.51 6.15 1.80 4.34 78.70 8.34 0.02 0.50 0.15 61 S H H 75.07 2.19 11.91 15.05 93.27 55.35 -68.42 -31.42 21.00 0.78 78.22 6.96 2.66 11.21 68.03 10.31 0.05 0.55 0.23 62 F H H 156.68 1.41 10.64 12.63 94.79 54.71 -75.80 -21.73 32.51 1.18 66.31 9.08 4.02 19.41 57.35 8.82 0.10 0.76 0.45 63 L C H 114.45 3.30 8.73 13.52 100.12 59.56 -84.08 -12.34 50.29 3.01 46.70 30.68 2.75 17.30 42.48 3.76 0.02 1.52 1.50 64 C C C 85.94 4.61 10.92 17.02 109.41 81.43 -91.57 88.22 99.72 0.19 0.10 99.55 0.12 0.13 0.08 0.00 0.00 0.10 0.02