# 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 129.36 3.07 10.65 15.36 117.38 -164.04 -96.36 137.91 99.91 0.06 0.03 99.82 0.09 0.05 0.01 0.00 0.00 0.02 0.01 1 A C C 78.79 3.49 8.41 13.74 113.59 -114.79 -78.54 143.77 89.50 2.51 7.99 85.67 1.05 3.89 5.50 1.49 0.00 1.40 0.99 2 L C C 123.01 2.63 8.50 13.00 111.60 -127.23 -88.09 128.72 83.44 5.47 11.09 66.26 10.99 5.71 8.93 2.74 0.00 3.38 1.97 3 R C C 160.29 3.00 9.83 14.71 115.56 -146.33 -96.04 132.75 79.30 8.33 12.37 65.49 9.49 3.67 10.88 2.47 0.01 4.87 3.12 4 T C C 62.89 6.35 9.05 17.19 118.74 -147.96 -94.59 155.07 81.04 4.27 14.69 70.67 6.83 2.64 14.69 1.51 0.00 2.33 1.33 5 R H H 166.96 1.60 13.54 15.44 93.69 -120.30 -63.79 -35.52 26.41 1.38 72.21 17.57 5.97 5.03 68.20 2.05 0.02 0.71 0.45 6 L H H 85.99 4.92 12.69 18.91 92.68 53.03 -65.95 -39.61 9.44 0.20 90.35 3.19 1.60 5.26 86.36 3.33 0.05 0.12 0.08 7 G H H 22.19 8.12 11.51 21.63 92.45 52.94 -63.96 -40.20 5.67 0.11 94.22 1.70 0.83 3.39 89.62 4.33 0.03 0.07 0.04 8 E H H 115.58 2.48 15.32 18.21 92.60 51.21 -66.91 -37.24 4.80 0.09 95.12 1.20 0.65 3.02 89.33 5.68 0.03 0.05 0.03 9 I H H 97.34 3.14 15.16 18.82 93.45 49.23 -68.68 -37.44 10.48 0.10 89.42 1.07 0.99 8.61 84.35 4.77 0.10 0.06 0.05 10 L H H 66.39 8.87 12.83 22.85 95.23 48.23 -77.30 -26.76 19.31 0.13 80.56 2.04 2.38 15.41 76.79 3.14 0.10 0.05 0.09 11 R H H 122.76 5.87 14.18 21.64 93.55 69.58 -62.52 -43.40 14.75 0.17 85.09 3.67 1.81 8.05 53.86 32.43 0.02 0.09 0.06 12 P H H 79.43 2.31 16.26 18.38 93.02 49.66 -65.29 -36.70 13.46 0.16 86.37 2.74 1.34 7.75 54.84 33.16 0.02 0.11 0.05 13 L H H 74.11 5.52 13.87 20.84 93.18 51.45 -67.44 -36.72 11.84 0.25 87.91 2.99 1.70 6.34 56.13 32.57 0.03 0.15 0.07 14 N H H 59.90 8.43 11.72 21.73 93.87 52.80 -68.09 -32.38 26.65 1.15 72.21 12.76 5.03 9.90 53.75 17.40 0.07 0.61 0.48 15 S H H 70.90 2.71 13.38 16.90 93.47 58.71 -67.87 -33.05 32.78 0.98 66.24 9.20 5.10 17.46 42.41 24.74 0.12 0.53 0.44 16 E H H 133.84 2.00 12.57 15.20 95.21 55.38 -76.28 -19.02 37.56 1.67 60.78 9.10 5.75 21.25 38.17 23.80 0.24 0.94 0.75 17 Y C T 140.00 4.49 9.90 15.94 101.03 58.66 -86.95 4.67 58.46 1.64 39.90 8.52 9.97 38.21 22.91 18.20 0.20 0.85 1.13 18 G C T 56.09 2.37 12.31 15.86 101.43 -97.07 75.90 10.10 85.47 1.62 12.92 20.26 13.46 52.33 6.72 5.58 0.01 0.91 0.73 19 K C C 134.50 3.41 11.69 16.79 109.86 114.27 -95.52 100.68 81.76 10.56 7.68 55.26 14.69 11.46 3.59 4.22 0.01 6.85 3.92 20 V C C 90.47 5.93 9.79 17.41 114.82 90.85 -96.08 127.04 76.71 19.49 3.80 53.32 18.57 4.30 2.26 1.78 0.01 10.27 9.49 21 A C C 65.34 4.44 10.70 16.91 116.32 -124.33 -95.43 140.99 88.05 10.33 1.62 64.27 20.02 3.80 0.68 1.00 0.00 7.35 2.89 22 P C C 102.70 2.77 11.72 15.91 109.91 -103.67 -69.13 142.00 90.90 3.55 5.55 35.04 22.21 34.44 1.44 3.70 0.00 2.07 1.09 23 G C C 54.98 2.53 11.43 15.28 108.25 22.81 88.68 3.51 88.20 3.77 8.02 35.10 21.49 32.52 2.14 5.24 0.01 1.92 1.59 24 W C C 171.81 3.46 10.12 15.13 104.98 42.95 -88.05 27.69 78.27 5.77 15.96 30.37 20.79 28.53 5.26 9.34 0.05 2.67 2.98 25 G C C 45.90 4.12 12.58 17.96 107.97 13.21 69.23 -3.65 79.07 5.58 15.36 30.71 22.41 27.44 6.13 8.02 0.05 2.71 2.53 26 T C C 69.95 6.18 11.40 19.10 104.97 82.03 -89.25 3.52 70.36 4.59 25.05 44.54 15.29 10.78 17.69 7.10 0.04 2.02 2.53 27 T H H 73.71 4.69 12.52 18.70 96.26 90.63 -66.30 -40.33 23.23 0.59 76.18 12.71 7.60 4.33 73.39 1.52 0.01 0.21 0.22 28 P H H 91.74 1.83 14.66 16.30 93.70 51.21 -65.64 -37.50 10.99 0.40 88.61 4.37 1.87 5.40 85.98 2.00 0.04 0.23 0.12 29 I H H 94.52 2.96 14.15 17.84 93.34 48.98 -67.74 -39.91 6.53 0.53 92.93 2.88 0.96 3.07 90.72 1.84 0.03 0.37 0.13 30 M H H 77.08 5.91 12.88 20.50 92.68 51.75 -65.34 -40.63 2.99 0.18 96.83 1.64 0.42 1.06 96.06 0.67 0.00 0.11 0.03 31 G H H 35.82 2.92 14.71 18.47 91.95 51.79 -63.76 -40.92 2.30 0.11 97.60 1.12 0.26 0.91 97.30 0.32 0.00 0.07 0.02 32 V H H 87.99 1.68 15.76 16.77 92.24 49.54 -65.38 -41.18 0.87 0.04 99.09 0.32 0.08 0.42 98.98 0.18 0.00 0.03 0.01 33 F H H 103.54 3.57 14.62 19.20 92.26 50.06 -65.19 -41.07 0.44 0.02 99.54 0.17 0.04 0.20 99.47 0.10 0.00 0.01 0.00 34 M H H 92.42 3.92 14.26 19.31 92.13 50.34 -64.88 -40.51 0.37 0.01 99.62 0.10 0.02 0.20 99.61 0.07 0.00 0.00 0.00 35 L H H 96.02 1.78 15.38 16.77 91.84 50.88 -64.22 -40.97 0.22 0.00 99.78 0.04 0.01 0.12 99.76 0.06 0.00 0.00 0.00 36 L H H 94.89 1.97 15.22 17.04 91.83 50.36 -64.66 -41.15 0.20 0.00 99.80 0.03 0.01 0.12 99.77 0.07 0.00 0.00 0.00 37 F H H 104.74 3.69 14.18 18.93 92.08 49.89 -65.13 -40.55 0.23 0.00 99.76 0.03 0.01 0.16 99.74 0.07 0.00 0.00 0.00 38 F H H 114.30 2.69 14.75 17.94 91.92 50.95 -64.37 -40.72 0.27 0.00 99.73 0.03 0.01 0.18 99.68 0.08 0.00 0.00 0.00 39 L H H 96.22 1.71 15.46 16.65 91.78 50.30 -64.32 -41.55 0.26 0.00 99.73 0.03 0.01 0.18 99.70 0.08 0.00 0.00 0.00 40 F H H 112.43 2.64 14.84 17.94 91.93 49.77 -64.91 -40.53 0.33 0.00 99.67 0.04 0.01 0.22 99.62 0.10 0.00 0.00 0.00 41 L H H 85.54 3.57 14.32 18.84 92.02 50.80 -64.73 -40.57 0.24 0.00 99.75 0.02 0.01 0.16 99.72 0.08 0.00 0.00 0.00 42 L H H 90.82 2.32 15.26 17.71 92.08 50.58 -64.64 -40.87 0.31 0.00 99.68 0.04 0.01 0.21 99.63 0.10 0.00 0.00 0.00 43 I H H 91.48 2.25 15.45 17.67 92.10 49.88 -64.54 -41.89 0.41 0.01 99.58 0.06 0.02 0.27 99.54 0.10 0.00 0.01 0.00 44 I H H 85.97 3.19 14.80 18.77 92.07 49.55 -64.64 -41.64 0.36 0.01 99.63 0.05 0.02 0.22 99.58 0.12 0.00 0.00 0.00 45 L H H 83.38 3.27 14.28 18.49 91.92 50.73 -64.25 -41.11 0.46 0.01 99.53 0.06 0.03 0.31 99.30 0.30 0.00 0.01 0.00 46 Q H H 101.30 2.37 14.37 17.23 92.17 50.60 -64.72 -40.32 1.29 0.01 98.69 0.13 0.07 0.99 98.24 0.55 0.00 0.01 0.00 47 I H H 99.72 2.14 14.10 16.50 92.67 48.75 -66.32 -40.76 3.09 0.03 96.88 0.33 0.22 2.38 96.26 0.78 0.00 0.02 0.01 48 Y H H 139.69 2.41 13.19 16.08 93.33 48.60 -68.69 -36.58 9.41 0.11 90.48 1.44 1.09 6.83 89.39 1.12 0.03 0.05 0.05 49 N H H 93.97 3.25 11.86 16.37 97.35 49.17 -84.74 -9.94 32.30 0.52 67.18 8.13 4.37 20.42 64.15 2.38 0.06 0.22 0.28 50 S H H 68.12 3.29 11.20 15.87 97.65 76.42 -75.80 -19.45 47.05 1.05 51.90 15.53 9.08 23.96 44.42 5.90 0.09 0.48 0.55 51 S H H 67.45 3.28 10.56 15.27 102.71 73.45 -80.43 -10.35 45.87 1.82 52.31 18.44 9.10 19.74 39.98 10.84 0.12 0.96 0.81 52 L H H 118.38 1.97 10.01 13.07 98.48 88.12 -75.65 -19.39 39.35 4.02 56.62 14.07 8.67 17.35 38.08 17.68 0.34 2.60 1.22 53 I H H 121.96 1.98 10.00 12.98 99.71 57.93 -79.93 -21.68 39.43 9.06 51.50 14.42 8.52 17.31 33.73 16.57 0.99 6.27 2.19 54 I H H 109.00 3.50 8.27 13.41 105.43 56.57 -88.81 33.87 41.72 12.35 45.93 18.01 9.70 15.58 27.58 16.81 0.98 8.07 3.27 55 E C T 141.59 1.97 9.22 12.69 104.58 106.61 -79.51 89.09 67.53 4.33 28.14 13.73 9.88 42.78 18.12 10.78 0.22 2.78 1.70 56 N C T 138.02 0.76 10.57 11.17 99.71 6.22 -53.20 22.13 82.14 2.70 15.17 19.42 11.87 51.64 6.76 7.61 0.02 1.83 0.86 57 V C C 87.80 5.08 6.71 13.76 117.13 130.56 -95.90 133.79 85.87 10.64 3.48 70.31 12.03 3.05 2.09 1.54 0.00 7.53 3.44 58 D C C 124.27 0.92 11.97 12.89 111.86 -141.78 -93.93 118.35 84.78 13.28 1.94 78.74 3.70 2.00 1.02 0.79 0.00 10.63 3.11 59 V C C 88.88 7.19 7.10 15.73 117.19 -169.56 -106.57 130.51 86.48 10.95 2.58 77.01 6.94 2.27 1.50 1.06 0.00 8.11 3.11 60 D C C 99.68 2.05 11.75 14.80 112.83 -164.56 -100.66 116.84 91.90 4.85 3.25 84.59 5.08 2.40 2.00 1.06 0.00 3.09 1.79 61 W C C 160.74 5.10 8.56 15.53 95.99 -164.86 -71.09 -20.73 52.89 1.88 45.23 25.58 8.05 19.35 21.58 23.53 0.02 1.07 0.83 62 T H G 105.24 1.34 10.59 12.54 95.46 68.27 -73.05 -22.43 48.65 1.23 50.13 14.34 8.40 25.22 23.90 26.79 0.06 0.68 0.62 63 S H G 75.56 2.39 9.00 12.78 98.23 63.28 -80.50 -11.64 43.68 1.79 54.53 16.52 8.73 18.73 23.95 30.27 0.06 0.98 0.78 64 L C T 115.06 3.16 7.23 12.15 101.91 76.09 -81.20 5.83 56.18 2.21 41.61 20.42 10.80 25.26 22.36 18.69 0.11 1.11 1.24 65 G C C 58.30 1.76 8.97 12.04 104.69 35.97 -66.07 9.21 79.10 1.39 19.51 48.84 3.48 28.59 11.63 5.92 0.00 0.77 0.76 66 N C C 122.27 2.17 10.64 14.25 107.47 87.87 -85.20 85.19 99.90 0.06 0.05 99.61 0.20 0.13 0.02 0.00 0.00 0.03 0.01