# 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 127.82 3.24 10.84 15.74 117.28 -166.16 -96.97 138.38 99.91 0.06 0.03 99.82 0.09 0.04 0.01 0.00 0.00 0.03 0.01 1 A C C 77.96 3.69 8.60 14.14 113.20 -115.32 -77.69 143.42 89.65 2.74 7.62 85.75 1.07 3.91 5.20 1.44 0.00 1.60 1.04 2 L C C 120.44 2.94 8.71 13.57 111.92 -129.16 -88.20 128.75 83.58 5.92 10.50 66.55 10.86 5.72 8.31 2.70 0.00 3.77 2.08 3 R C C 158.64 3.24 10.11 15.23 115.05 -147.61 -94.35 132.49 79.50 8.78 11.71 65.79 9.44 3.59 10.25 2.40 0.01 5.19 3.33 4 T C C 61.45 6.74 9.33 17.80 118.58 -150.60 -95.37 154.54 80.96 4.52 14.52 70.65 6.83 2.59 14.56 1.47 0.00 2.47 1.43 5 R H H 165.43 1.73 13.93 16.03 93.91 -119.32 -64.08 -35.83 23.17 1.14 75.69 14.61 5.52 5.16 71.64 2.07 0.03 0.60 0.38 6 L H H 81.09 5.88 13.02 20.15 92.57 52.76 -66.02 -39.71 8.89 0.18 90.92 2.88 1.50 5.08 87.21 3.09 0.06 0.11 0.07 7 G H H 20.83 8.78 11.92 22.63 92.44 53.00 -63.78 -40.12 5.26 0.10 94.64 1.56 0.76 3.16 90.39 4.00 0.03 0.07 0.04 8 E H H 114.52 2.54 16.00 18.86 92.47 50.92 -66.98 -38.35 4.60 0.08 95.32 1.12 0.62 2.93 90.06 5.17 0.03 0.05 0.03 9 I H H 92.66 3.82 15.69 20.13 93.33 48.98 -68.69 -37.64 10.53 0.09 89.37 0.97 0.94 8.81 84.63 4.45 0.10 0.05 0.05 10 L H H 60.54 10.11 13.24 24.32 94.96 49.11 -75.37 -27.81 17.51 0.09 82.40 1.68 2.05 14.20 79.19 2.71 0.08 0.03 0.07 11 R H H 122.53 5.96 14.95 22.41 93.16 67.01 -62.54 -42.97 12.49 0.12 87.38 2.86 1.44 6.99 61.24 27.33 0.02 0.07 0.05 12 P H H 77.72 2.36 16.88 18.98 92.29 50.14 -65.05 -37.71 11.19 0.13 88.68 2.15 1.06 6.59 61.53 28.53 0.02 0.09 0.03 13 L H H 69.29 6.24 14.29 22.04 92.83 51.03 -66.62 -37.97 9.43 0.18 90.39 2.24 1.27 5.20 63.19 27.91 0.03 0.11 0.05 14 N H H 57.01 9.04 12.15 22.71 93.13 52.26 -66.55 -34.86 21.43 0.76 77.81 9.38 3.83 8.92 60.52 16.56 0.06 0.41 0.31 15 A H H 69.45 2.78 13.75 17.38 93.21 58.18 -66.95 -34.60 29.14 0.76 70.10 7.07 4.11 16.71 47.53 23.69 0.12 0.42 0.34 16 E H H 132.93 2.09 13.07 15.77 94.52 54.76 -74.98 -23.62 35.99 1.39 62.62 8.09 5.03 21.23 41.45 22.56 0.22 0.79 0.63 17 Y C T 134.88 5.07 10.10 16.77 100.96 53.09 -87.91 3.67 59.05 1.65 39.30 8.44 9.61 39.15 24.01 16.62 0.20 0.86 1.12 18 G C T 55.94 2.43 12.79 16.33 101.27 -104.20 76.74 10.89 86.67 1.72 11.61 20.16 13.22 53.92 6.19 4.79 0.01 1.00 0.71 19 K C C 132.62 3.63 12.14 17.50 110.26 114.75 -96.67 97.79 82.16 11.17 6.67 57.66 14.01 10.06 3.21 3.63 0.01 7.44 3.99 20 V C C 87.42 6.78 9.95 18.30 114.42 125.41 -98.19 127.61 75.98 20.88 3.14 55.54 16.18 3.47 1.92 1.48 0.01 11.26 10.15 21 A C C 63.67 4.88 10.93 17.56 116.51 -127.91 -94.26 141.73 87.63 10.92 1.44 67.74 16.59 3.23 0.61 0.88 0.00 8.15 2.80 22 P C C 104.06 2.75 11.93 16.13 109.57 -103.08 -70.24 141.05 90.22 4.21 5.56 34.55 22.37 34.14 1.39 3.79 0.00 2.57 1.18 23 G C T 55.01 2.37 11.64 15.32 109.23 31.52 92.60 -8.39 87.66 4.24 8.10 32.34 23.00 33.27 2.06 5.42 0.01 2.23 1.67 24 W C C 173.03 3.54 10.32 15.36 105.82 17.79 -88.94 42.34 79.32 6.28 14.40 30.45 22.21 28.11 4.46 8.71 0.05 2.99 3.01 25 G C C 45.21 4.34 12.59 18.25 108.53 17.80 74.47 -9.94 79.51 6.54 13.95 32.94 22.71 25.43 5.35 7.48 0.04 3.28 2.77 26 T C C 69.80 6.56 11.52 19.53 103.03 83.99 -88.44 -2.30 72.05 5.45 22.50 47.24 14.90 9.85 15.76 6.74 0.03 2.47 3.00 27 T H H 72.71 5.08 12.59 19.18 96.17 93.39 -65.66 -40.21 28.83 0.79 70.38 16.40 9.14 4.65 67.53 1.68 0.01 0.29 0.29 28 P H H 92.03 1.88 14.84 16.54 93.02 50.94 -65.40 -37.47 13.60 0.51 85.89 5.54 2.38 6.48 82.78 2.33 0.04 0.30 0.16 29 I H H 94.74 3.15 14.31 18.21 93.34 49.14 -68.12 -39.72 7.83 0.66 91.51 3.51 1.17 3.63 88.89 2.15 0.03 0.46 0.16 30 M H H 75.83 6.59 12.95 21.16 92.57 51.60 -65.59 -40.26 3.47 0.20 96.32 1.92 0.49 1.22 95.38 0.82 0.00 0.12 0.04 31 G H H 35.69 3.18 14.88 19.01 91.98 51.97 -63.67 -40.85 2.40 0.11 97.49 1.17 0.27 0.94 97.20 0.33 0.00 0.07 0.02 32 I H H 101.68 1.70 16.11 17.10 92.35 49.41 -65.45 -41.13 0.84 0.04 99.11 0.32 0.08 0.39 99.01 0.17 0.00 0.03 0.00 33 V H H 70.96 4.19 14.81 20.18 92.23 49.96 -65.25 -41.36 0.38 0.02 99.61 0.15 0.03 0.17 99.56 0.08 0.00 0.01 0.00 34 M H H 89.62 4.63 14.54 20.39 92.15 50.82 -64.68 -40.73 0.30 0.01 99.69 0.08 0.02 0.16 99.69 0.05 0.00 0.00 0.00 35 L H H 95.69 1.89 15.87 17.41 91.82 50.72 -64.20 -41.11 0.19 0.00 99.81 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 36 A H H 61.34 2.22 15.66 17.87 91.74 50.53 -64.61 -41.17 0.22 0.00 99.78 0.03 0.01 0.13 99.77 0.06 0.00 0.00 0.00 37 F H H 102.20 4.36 14.44 19.91 92.10 50.00 -65.25 -40.49 0.28 0.00 99.72 0.02 0.01 0.19 99.71 0.07 0.00 0.00 0.00 38 L H H 88.56 3.16 15.03 18.92 91.97 51.13 -64.37 -40.82 0.31 0.00 99.69 0.03 0.01 0.21 99.66 0.08 0.00 0.00 0.00 39 I H H 99.17 1.76 15.94 17.15 91.90 50.31 -64.52 -41.71 0.28 0.00 99.72 0.02 0.01 0.20 99.69 0.08 0.00 0.00 0.00 40 F H H 109.99 2.99 15.20 18.79 91.95 49.97 -65.03 -40.68 0.30 0.00 99.69 0.04 0.01 0.20 99.65 0.09 0.00 0.00 0.00 41 L H H 83.04 4.12 14.64 19.77 92.10 50.87 -64.86 -40.66 0.24 0.00 99.76 0.03 0.01 0.16 99.73 0.08 0.00 0.00 0.00 42 V H H 79.91 2.59 15.58 18.46 92.17 50.21 -64.94 -41.25 0.33 0.01 99.66 0.04 0.02 0.22 99.61 0.09 0.00 0.01 0.00 43 I H H 90.51 2.40 15.84 18.28 92.11 49.72 -64.64 -41.86 0.39 0.02 99.59 0.06 0.02 0.25 99.56 0.09 0.00 0.02 0.00 44 I H H 83.61 3.61 15.03 19.56 92.09 49.41 -64.91 -41.62 0.36 0.01 99.63 0.06 0.02 0.22 99.56 0.12 0.00 0.02 0.00 45 L H H 81.11 3.72 14.43 19.22 92.07 50.69 -64.51 -41.08 0.47 0.02 99.51 0.06 0.03 0.31 99.27 0.29 0.00 0.02 0.00 46 Q H H 100.97 2.50 14.67 17.67 92.24 50.81 -64.78 -40.11 1.32 0.03 98.65 0.14 0.08 1.01 98.21 0.53 0.00 0.03 0.00 47 I H H 97.59 2.33 14.37 17.06 93.01 48.84 -66.32 -40.85 3.22 0.06 96.71 0.37 0.24 2.45 96.13 0.74 0.01 0.06 0.01 48 Y H H 134.86 2.85 13.29 16.83 93.33 48.41 -67.97 -37.64 9.75 0.17 90.09 1.65 1.17 6.93 88.97 1.09 0.03 0.08 0.07 49 N H H 93.64 3.47 12.08 16.84 96.17 49.34 -83.92 -11.15 32.37 0.60 67.03 8.02 4.36 20.61 64.08 2.30 0.06 0.27 0.30 50 S C H 69.36 3.24 11.51 16.03 97.22 69.88 -77.95 -17.56 49.72 1.16 49.13 15.17 9.80 26.03 42.90 4.90 0.09 0.54 0.56 51 S C H 65.66 3.58 10.54 15.61 105.23 78.46 -81.76 37.99 50.67 2.22 47.12 20.63 10.63 21.00 36.91 8.61 0.12 1.18 0.93 52 L H H 118.39 2.03 10.19 13.30 97.44 102.58 -73.79 -25.63 42.50 4.92 52.58 15.71 10.09 17.81 36.21 15.11 0.43 3.17 1.47 53 I H H 119.13 2.13 10.14 13.31 97.93 60.64 -78.11 -24.40 40.99 10.57 48.44 15.18 9.23 17.64 31.63 15.35 1.13 7.36 2.49 54 I H H 105.95 3.87 8.34 13.81 103.14 56.71 -86.85 8.34 40.90 13.63 45.47 17.63 9.50 15.35 27.29 16.81 1.00 9.12 3.28 55 E C T 141.34 2.02 9.45 12.93 103.73 91.95 -78.82 35.14 63.99 5.40 30.61 13.06 9.57 40.17 19.15 12.19 0.35 3.60 1.91 56 N C T 136.63 0.81 10.70 11.35 99.96 18.14 -67.39 18.33 78.72 3.40 17.88 17.98 11.73 49.79 8.11 8.93 0.04 2.40 1.02 57 V C C 87.68 5.13 6.74 13.83 117.18 127.78 -95.24 131.72 82.90 13.12 3.98 65.67 13.40 3.33 2.40 1.80 0.00 9.89 3.51 58 D C C 123.85 0.99 11.86 12.97 112.16 -140.78 -94.61 118.56 81.50 16.36 2.14 75.32 3.64 2.02 1.09 0.91 0.00 14.08 2.93 59 V C C 89.53 6.94 6.92 15.43 119.21 -168.93 -109.91 132.52 81.90 14.75 3.35 71.16 7.06 3.15 1.80 1.53 0.00 12.03 3.27 60 D C C 106.42 1.77 11.22 13.98 113.17 -159.27 -102.06 116.64 85.56 10.59 3.86 74.86 6.64 3.63 2.17 1.70 0.00 8.00 3.00 61 W C C 166.89 4.87 7.76 14.47 99.73 -168.76 -80.75 -9.55 70.28 6.36 23.36 39.11 11.07 20.95 8.43 14.27 0.02 4.05 2.11 62 A C T 89.18 1.46 9.11 11.64 99.13 80.28 -79.47 -11.20 69.40 3.74 26.86 24.47 15.28 30.98 8.27 17.28 0.05 2.10 1.58 63 N C T 122.09 1.56 8.56 11.32 104.20 67.47 -89.37 23.12 68.93 3.25 27.83 22.20 18.83 29.64 7.32 18.73 0.05 1.75 1.48 64 G C C 57.73 1.92 8.14 11.66 107.24 -123.53 61.39 27.59 76.28 5.69 18.03 35.79 18.32 23.52 5.01 12.04 0.02 3.45 1.84 65 I C C 132.99 1.75 7.16 10.64 112.09 129.22 -93.24 119.82 79.80 12.18 8.02 66.54 4.10 9.13 3.36 3.96 0.00 8.15 4.76 66 V C C 105.96 3.61 9.35 14.91 113.24 -156.10 -96.65 123.19 99.50 0.48 0.02 99.49 0.12 0.04 0.01 0.00 0.00 0.28 0.04