# 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 107.31 7.58 13.48 22.03 113.12 -165.99 -90.49 127.35 99.94 0.05 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.02 0.00 1 A C C 65.43 7.53 10.75 19.53 112.23 -136.17 -85.20 127.72 94.77 2.26 2.97 90.73 0.84 4.08 0.90 1.29 0.00 1.17 0.99 2 V C C 103.46 4.61 11.44 17.82 112.50 -155.51 -93.75 126.28 93.30 3.62 3.07 58.50 14.56 20.26 0.74 2.39 0.00 2.25 1.31 3 G C C 47.39 5.41 13.84 20.39 117.62 -21.44 86.46 167.89 95.00 2.55 2.45 50.70 24.18 20.12 0.47 2.15 0.00 1.50 0.88 4 T C C 58.55 10.54 12.57 24.01 117.83 -90.18 -98.51 141.51 95.94 2.94 1.12 74.07 20.13 1.48 0.55 0.54 0.00 1.17 2.05 5 T C C 67.95 4.90 18.93 24.21 118.07 -120.42 -81.14 153.06 98.26 0.53 1.21 91.75 6.03 0.52 1.06 0.14 0.00 0.18 0.33 6 P H H 54.27 14.14 12.33 26.56 93.36 -110.88 -58.81 -38.01 13.60 0.08 86.32 3.34 1.94 8.28 77.85 8.49 0.02 0.04 0.04 7 G H H 40.65 2.95 17.65 20.86 92.47 54.42 -63.23 -36.97 9.26 0.04 90.70 1.26 1.01 6.56 80.39 10.72 0.02 0.02 0.02 8 E H H 93.27 4.47 17.97 23.08 92.53 51.89 -67.53 -37.59 4.55 0.04 95.41 1.00 0.57 2.74 84.64 11.00 0.01 0.03 0.01 9 L H H 17.53 20.50 11.12 31.13 92.14 53.55 -65.66 -37.83 3.98 0.03 95.99 0.79 0.48 2.39 84.85 11.45 0.00 0.02 0.01 10 R H H 127.32 8.41 16.16 25.46 91.33 57.68 -66.75 -25.22 24.14 0.05 75.82 0.99 1.18 21.31 65.40 11.03 0.03 0.02 0.04 11 E C T 150.39 1.02 18.48 17.70 94.11 56.97 -85.02 -8.24 54.70 0.06 45.24 1.54 2.66 50.85 35.35 9.49 0.01 0.02 0.07 12 L C S 37.91 14.81 7.97 22.76 120.76 100.97 -81.01 150.23 98.94 0.24 0.82 33.39 64.70 0.76 0.74 0.10 0.00 0.04 0.26 13 T C C 75.46 1.83 19.48 19.67 120.93 -114.76 -76.09 162.91 99.30 0.28 0.42 98.67 0.56 0.16 0.31 0.03 0.00 0.05 0.22 14 D H H 82.41 10.41 12.09 23.23 91.86 -104.38 -57.92 -39.12 1.98 0.00 98.01 0.37 0.31 1.12 97.79 0.41 0.00 0.00 0.00 15 D H H 108.60 1.19 17.79 17.74 91.80 52.43 -64.65 -39.83 1.05 0.00 98.95 0.09 0.08 0.79 98.52 0.51 0.00 0.00 0.00 16 E H H 92.54 3.56 17.96 21.94 91.72 48.93 -65.52 -40.47 0.45 0.00 99.55 0.07 0.03 0.29 99.07 0.53 0.00 0.00 0.00 17 L H H 14.52 17.87 12.62 31.19 91.75 50.65 -63.45 -42.96 0.16 0.00 99.84 0.03 0.01 0.09 99.76 0.11 0.00 0.00 0.00 18 K H H 86.05 8.39 18.59 27.79 91.32 50.60 -63.08 -41.70 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 19 D H H 82.92 1.70 22.46 21.85 91.78 49.78 -64.02 -42.02 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 20 K H H 80.46 8.00 20.18 28.84 91.87 49.29 -65.10 -41.02 0.26 0.00 99.74 0.02 0.01 0.16 99.74 0.06 0.00 0.00 0.00 21 L H H 19.42 18.43 15.48 34.13 91.79 50.77 -64.04 -41.90 0.27 0.00 99.73 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 22 R H H 126.37 3.48 22.17 25.61 91.47 50.88 -63.55 -41.50 0.29 0.00 99.71 0.04 0.02 0.18 99.72 0.05 0.00 0.00 0.00 23 E H H 102.37 2.22 22.81 23.44 91.57 49.58 -64.54 -41.67 0.46 0.00 99.54 0.06 0.02 0.28 99.58 0.05 0.00 0.00 0.00 24 S H H 14.23 14.39 16.42 32.15 91.72 50.24 -64.05 -41.66 0.76 0.00 99.23 0.12 0.04 0.45 99.33 0.06 0.00 0.00 0.00 25 K H H 85.88 10.78 19.18 30.10 91.47 51.85 -63.01 -41.51 0.46 0.00 99.54 0.07 0.02 0.23 99.63 0.04 0.00 0.00 0.00 26 E H H 109.01 1.76 22.61 22.26 91.60 50.39 -63.97 -41.83 0.20 0.00 99.79 0.02 0.01 0.10 99.83 0.03 0.00 0.00 0.00 27 E H H 85.13 5.69 20.38 26.67 91.64 49.31 -64.62 -41.19 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 28 L H H 28.24 15.58 15.46 31.62 91.76 50.54 -64.02 -41.94 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 29 F H H 103.63 3.60 20.63 24.21 91.58 50.22 -63.64 -41.39 0.24 0.00 99.76 0.02 0.01 0.17 99.75 0.06 0.00 0.00 0.00 30 N H H 88.28 2.20 21.31 22.22 91.86 49.82 -64.90 -40.31 0.83 0.00 99.17 0.05 0.03 0.63 99.19 0.10 0.00 0.00 0.00 31 L H H 30.42 12.60 14.82 28.78 91.78 51.43 -64.20 -41.22 0.73 0.00 99.27 0.06 0.03 0.48 99.16 0.25 0.00 0.00 0.00 32 R H H 109.91 7.63 17.27 25.82 91.66 52.11 -63.13 -41.42 0.72 0.00 99.28 0.11 0.05 0.43 99.01 0.39 0.00 0.00 0.00 33 F H H 124.74 1.43 18.76 18.37 92.05 49.56 -64.56 -41.46 1.20 0.01 98.80 0.15 0.10 0.82 98.45 0.48 0.00 0.00 0.00 34 Q H H 73.85 4.55 14.99 20.97 92.50 49.49 -65.80 -40.22 2.31 0.02 97.67 0.44 0.26 1.50 97.09 0.69 0.01 0.01 0.01 35 M H H 63.04 10.58 11.28 22.87 92.29 51.76 -65.02 -40.22 3.78 0.03 96.19 0.64 0.37 2.70 94.41 1.85 0.01 0.01 0.01 36 A H H 84.14 1.71 13.53 15.80 91.52 53.16 -66.44 -30.23 10.47 0.03 89.49 0.54 0.60 9.44 87.77 1.59 0.03 0.01 0.02 37 T C T 98.56 1.34 12.84 13.92 93.74 50.37 -86.73 -3.40 68.27 0.06 31.67 0.67 2.59 64.25 30.70 1.71 0.01 0.02 0.06 38 G C T 56.72 2.38 11.64 15.62 95.16 -111.21 79.25 9.66 98.70 0.04 1.26 3.17 7.23 88.51 0.73 0.33 0.00 0.02 0.03 39 Q C C 123.84 2.13 13.73 16.64 96.81 121.34 -84.17 -13.94 98.40 0.30 1.30 62.21 32.84 3.28 0.42 0.92 0.00 0.11 0.23 40 L C C 45.52 14.89 7.48 21.65 118.95 60.52 -109.63 131.43 95.90 0.76 3.34 69.44 19.94 6.25 0.95 2.43 0.00 0.26 0.73 41 S C C 89.22 1.72 16.39 18.08 100.85 -168.05 -91.51 -14.58 97.37 0.31 2.32 62.48 28.27 6.67 0.85 1.36 0.00 0.11 0.26 42 N C C 79.10 5.94 12.89 20.39 109.18 61.15 -107.45 94.68 95.39 0.54 4.07 66.40 21.96 6.99 2.29 1.63 0.00 0.17 0.56 43 N H H 92.54 6.66 12.22 20.63 95.01 -174.99 -68.26 -28.17 26.88 0.16 72.96 13.43 6.63 7.49 69.22 3.08 0.00 0.05 0.10 44 R H H 163.70 1.29 16.96 17.38 91.96 60.31 -64.66 -39.48 6.90 0.02 93.08 1.41 0.94 4.15 90.82 2.65 0.00 0.01 0.01 45 R H H 108.25 6.50 16.83 24.33 92.29 50.58 -65.58 -40.43 2.69 0.02 97.30 0.75 0.30 1.45 95.09 2.39 0.00 0.01 0.00 46 L H H 28.39 15.54 13.62 29.69 91.98 51.50 -63.69 -41.92 0.82 0.00 99.18 0.23 0.08 0.41 98.50 0.78 0.00 0.00 0.00 47 R H H 126.67 3.24 21.34 24.40 91.54 50.89 -63.98 -41.01 0.80 0.00 99.20 0.20 0.07 0.45 98.90 0.38 0.00 0.00 0.00 48 T H H 61.71 3.86 21.40 25.25 91.76 50.17 -64.12 -42.15 0.81 0.00 99.19 0.17 0.07 0.48 99.05 0.23 0.00 0.00 0.00 49 V H H 20.62 16.31 17.16 34.01 91.78 49.61 -64.00 -42.64 0.59 0.00 99.41 0.13 0.05 0.32 99.40 0.09 0.00 0.00 0.00 50 R H H 102.70 10.32 20.60 30.96 91.61 51.12 -62.68 -41.92 0.25 0.00 99.75 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 51 Q H H 97.83 2.69 23.59 25.21 91.78 49.52 -64.76 -41.60 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 52 E H H 58.67 10.80 21.11 32.30 91.79 49.83 -64.88 -41.96 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 53 I H H 24.00 17.68 18.42 36.16 91.58 50.16 -63.66 -42.60 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 A H H 50.32 4.53 22.75 27.37 91.30 51.08 -62.83 -41.24 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 R H H 116.17 4.35 23.59 27.91 91.73 50.01 -64.43 -41.61 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 56 V H H 20.03 17.43 18.47 36.27 91.64 49.97 -64.28 -42.82 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 Y H H 85.51 10.83 21.23 32.17 91.56 50.33 -62.98 -41.82 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 T H H 65.87 3.01 22.87 24.99 91.45 50.01 -63.63 -42.43 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 59 V H H 38.36 9.04 19.73 30.08 91.75 49.37 -64.04 -42.75 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 60 L H H 29.13 14.30 17.02 32.16 91.65 49.81 -63.79 -42.25 0.34 0.00 99.66 0.05 0.02 0.19 99.66 0.08 0.00 0.00 0.00 61 R H H 118.99 4.21 19.61 24.28 91.94 50.27 -64.08 -41.52 0.88 0.00 99.12 0.14 0.06 0.53 99.09 0.18 0.00 0.00 0.00 62 E H H 99.87 3.34 18.30 21.82 92.28 49.75 -65.25 -40.92 1.62 0.00 98.37 0.26 0.14 1.02 98.19 0.39 0.00 0.00 0.00 63 R H H 106.19 7.93 15.78 24.53 92.95 48.01 -66.87 -39.84 3.38 0.02 96.60 0.60 0.33 2.22 96.16 0.68 0.01 0.01 0.01 64 E H H 103.59 5.72 15.10 22.04 93.35 48.94 -68.20 -36.42 8.24 0.04 91.72 1.08 0.82 5.99 91.18 0.88 0.01 0.01 0.02 65 L H H 105.16 2.50 14.60 17.50 94.75 49.04 -74.85 -25.29 29.34 0.16 70.50 3.28 3.69 21.92 69.16 1.75 0.05 0.05 0.10 66 G C H 46.34 3.57 14.27 18.81 100.77 26.50 39.25 -11.21 51.72 0.34 47.94 11.22 6.59 33.81 43.91 4.08 0.03 0.14 0.23 67 L C H 92.43 6.48 11.92 19.70 99.36 60.90 -77.55 -21.69 54.02 1.11 44.87 25.68 10.66 19.46 35.35 7.67 0.03 0.47 0.67 68 A C C 70.41 4.61 12.30 18.44 102.82 77.18 -79.45 -10.40 62.84 1.41 35.76 30.95 13.05 19.93 28.24 6.39 0.03 0.58 0.84 69 S C C 80.80 2.97 12.67 16.62 103.52 64.02 -91.27 3.12 75.16 1.12 23.71 30.66 23.05 22.11 17.68 5.28 0.01 0.42 0.78 70 G C C 35.42 5.49 11.53 18.54 124.64 -116.47 -127.67 174.87 94.60 0.69 4.70 49.66 40.42 4.67 3.01 1.48 0.00 0.23 0.54 71 P C C 95.58 3.35 11.40 16.03 102.52 -62.70 -69.07 17.88 74.81 0.81 24.38 44.43 11.71 18.68 10.42 13.82 0.00 0.38 0.57 72 A C C 82.86 2.58 10.15 14.19 101.10 54.51 -77.10 -6.27 66.54 1.10 32.36 28.82 13.59 24.93 12.47 18.93 0.01 0.49 0.75 73 G C C 53.07 2.96 10.27 14.65 102.93 31.38 29.26 -5.52 64.64 1.43 33.94 31.39 14.77 19.24 12.92 20.15 0.01 0.65 0.88 74 E C C 136.13 2.77 9.16 13.55 105.61 82.41 -84.97 41.42 69.73 1.83 28.45 45.02 12.67 12.10 13.61 14.68 0.01 0.87 1.04 75 E C C 140.48 2.48 8.40 12.66 108.02 97.47 -87.61 113.35 83.47 1.15 15.38 73.90 2.28 8.97 8.60 4.99 0.00 0.59 0.66 76 S C C 85.19 2.63 10.52 14.88 112.10 -139.35 -92.57 129.15 99.92 0.04 0.04 99.79 0.10 0.07 0.02 0.00 0.00 0.02 0.01