# 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 105.71 5.62 10.94 17.95 110.82 -172.34 -88.28 119.53 99.91 0.04 0.05 99.84 0.06 0.05 0.02 0.00 0.00 0.01 0.01 1 S C C 76.93 2.45 9.97 13.66 103.27 -120.87 -78.47 -16.29 78.90 1.51 19.59 72.44 1.09 6.28 16.24 2.50 0.00 0.75 0.70 2 L C C 117.16 2.27 8.73 12.36 99.22 59.84 -77.49 -22.17 61.99 2.36 35.65 37.45 12.24 12.32 30.36 5.50 0.02 1.24 0.87 3 V C H 97.07 2.64 8.93 13.01 98.54 66.88 -74.23 -25.01 52.30 3.47 44.23 33.95 10.41 8.82 37.03 6.63 0.03 2.07 1.07 4 W H H 165.03 2.13 10.11 13.30 96.25 61.38 -68.73 -35.85 48.35 2.90 48.75 36.49 5.72 7.00 40.78 7.29 0.01 1.79 0.93 5 L H H 110.04 1.83 10.98 13.51 94.97 52.53 -69.34 -35.58 23.66 1.20 75.14 13.19 4.23 7.59 56.91 16.87 0.05 0.72 0.44 6 E H H 114.72 3.05 11.48 15.68 94.81 53.92 -70.13 -32.33 19.29 0.51 80.20 5.11 3.11 10.68 60.23 20.28 0.08 0.32 0.20 7 A H H 59.58 4.14 11.17 16.64 95.27 54.53 -71.30 -31.29 28.42 0.35 71.23 4.24 3.70 19.07 52.93 19.56 0.10 0.19 0.20 8 M H H 110.81 2.73 12.92 16.39 95.65 54.71 -73.24 -32.79 22.01 0.20 77.79 5.81 4.28 12.77 71.57 5.30 0.05 0.08 0.14 9 L H H 93.58 2.84 13.81 17.37 95.99 59.17 -67.29 -40.92 7.83 0.02 92.15 2.94 0.97 3.63 90.94 1.49 0.00 0.01 0.01 10 P H H 68.89 4.40 13.66 19.20 93.81 50.17 -66.15 -39.07 4.03 0.01 95.95 1.18 0.32 2.25 95.08 1.15 0.00 0.01 0.01 11 L H H 97.05 3.50 14.54 18.71 93.08 51.14 -65.43 -40.35 0.51 0.00 99.49 0.10 0.04 0.30 99.10 0.46 0.00 0.00 0.00 12 G H H 40.69 2.21 15.39 17.62 92.38 50.61 -64.74 -41.25 0.27 0.00 99.73 0.04 0.02 0.16 99.66 0.12 0.00 0.00 0.00 13 I H H 98.16 2.25 16.07 18.18 92.67 48.88 -65.67 -41.84 0.14 0.00 99.86 0.02 0.01 0.09 99.84 0.05 0.00 0.00 0.00 14 I H H 82.71 4.39 15.34 20.60 92.09 48.90 -64.50 -42.12 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.03 0.00 0.00 0.00 15 G H H 35.43 3.79 15.73 20.24 91.84 50.12 -63.43 -41.49 0.22 0.00 99.78 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 16 G H H 38.60 2.22 16.72 18.72 91.95 50.44 -64.00 -41.56 0.34 0.00 99.66 0.02 0.01 0.24 99.67 0.06 0.00 0.00 0.00 17 M H H 99.23 2.79 16.68 19.53 92.07 49.90 -65.21 -41.44 0.47 0.00 99.53 0.02 0.01 0.36 99.46 0.14 0.00 0.00 0.00 18 L H H 83.13 5.11 15.70 21.50 91.99 50.19 -64.88 -41.03 0.85 0.00 99.15 0.04 0.03 0.69 98.99 0.24 0.00 0.00 0.00 19 C H H 70.69 3.35 16.25 19.91 92.14 49.81 -65.02 -41.62 2.21 0.00 97.78 0.15 0.12 1.79 97.44 0.48 0.00 0.00 0.00 20 I H H 104.08 1.59 18.30 18.50 92.12 48.81 -64.86 -41.92 3.37 0.01 96.62 0.30 0.26 2.60 96.08 0.75 0.01 0.00 0.00 21 M H H 91.15 3.46 16.97 20.71 92.26 49.14 -65.18 -40.96 6.27 0.02 93.71 0.77 0.58 4.56 92.97 1.09 0.01 0.01 0.01 22 G H H 25.53 7.19 14.48 23.37 92.14 51.46 -63.94 -41.50 10.44 0.03 89.53 1.40 0.95 7.55 88.90 1.16 0.01 0.01 0.02 23 N H H 88.12 2.96 17.41 20.56 92.26 49.98 -64.98 -40.75 7.52 0.03 92.46 1.15 0.86 5.13 91.66 1.17 0.01 0.01 0.01 24 S H H 61.92 1.90 18.11 19.00 92.04 50.22 -64.61 -41.26 4.94 0.02 95.04 0.98 0.53 3.10 94.43 0.93 0.00 0.01 0.01 25 Q H H 82.14 4.92 16.10 22.09 92.22 50.27 -64.96 -40.60 2.15 0.01 97.84 0.44 0.20 1.32 97.47 0.56 0.00 0.00 0.00 26 Y H H 96.18 7.33 14.55 23.28 92.41 51.85 -64.02 -41.45 1.05 0.00 98.95 0.18 0.08 0.65 98.77 0.30 0.00 0.00 0.00 27 Y H H 134.04 1.98 16.98 18.53 91.83 49.95 -64.14 -41.87 0.69 0.00 99.31 0.11 0.05 0.45 99.16 0.23 0.00 0.00 0.00 28 I H H 91.28 2.01 16.70 18.18 91.93 49.04 -64.47 -42.06 0.69 0.00 99.31 0.09 0.06 0.46 99.14 0.24 0.00 0.00 0.00 29 H H H 63.56 6.22 12.70 21.01 92.06 49.59 -65.12 -41.05 1.32 0.01 98.67 0.20 0.12 0.90 98.36 0.40 0.00 0.01 0.00 30 K H H 94.33 5.17 12.38 19.23 92.49 49.77 -65.55 -40.37 2.35 0.02 97.63 0.32 0.22 1.69 97.07 0.67 0.01 0.01 0.01 31 A H H 79.28 1.24 13.07 13.97 93.61 48.63 -68.21 -37.72 5.48 0.03 94.50 0.44 0.47 4.49 93.71 0.84 0.02 0.01 0.01 32 Y H H 165.77 1.36 12.21 13.43 98.51 40.00 -82.71 -34.37 20.82 0.07 79.11 0.80 1.80 18.12 78.09 1.05 0.06 0.02 0.05 33 H H H 129.48 2.33 10.72 14.02 101.59 22.11 -107.23 -1.18 35.99 0.19 63.82 2.53 6.69 25.84 63.86 0.84 0.05 0.05 0.14 34 G C C 56.83 1.66 11.79 14.12 100.02 -117.56 77.47 11.18 99.15 0.31 0.54 45.35 42.39 11.44 0.15 0.36 0.00 0.13 0.17 35 R C C 134.59 4.12 10.02 16.21 123.81 102.98 -110.55 144.65 99.00 0.87 0.13 67.74 30.76 0.53 0.04 0.07 0.00 0.29 0.56 36 P C C 83.64 4.26 12.43 18.28 114.97 -105.18 -68.15 150.74 99.28 0.48 0.24 93.41 5.00 0.88 0.05 0.17 0.00 0.22 0.27 37 K C C 140.26 3.95 12.68 18.59 113.42 -102.78 -72.94 141.49 98.90 0.72 0.38 90.07 7.35 1.40 0.08 0.30 0.00 0.32 0.47 38 H C C 99.73 8.94 9.39 19.45 113.48 -126.39 -88.45 126.89 97.71 1.82 0.47 93.44 3.24 0.84 0.12 0.27 0.00 0.68 1.41 39 I C T 119.67 3.23 11.70 16.64 112.49 -144.87 -85.64 129.69 96.54 1.55 1.91 34.73 16.95 44.82 0.34 1.62 0.00 0.78 0.76 40 G C T 50.86 3.22 12.22 16.65 105.29 14.56 81.52 16.79 97.80 0.51 1.69 24.00 23.22 50.43 0.25 1.60 0.00 0.25 0.25 41 H C C 128.08 4.44 10.55 16.68 101.75 120.88 -97.90 0.55 97.54 0.52 1.94 65.99 26.79 4.59 0.55 1.39 0.00 0.17 0.52 42 D C C 72.34 3.43 11.81 16.67 122.80 124.72 -96.66 162.76 96.50 1.08 2.42 61.91 33.28 0.96 2.17 0.30 0.00 0.18 1.19 43 E H H 141.99 1.95 12.55 15.44 92.22 -104.63 -60.96 -36.64 1.92 0.00 98.08 0.27 0.36 1.13 97.86 0.38 0.00 0.00 0.00 44 W H H 158.59 2.14 13.80 16.27 91.96 51.92 -64.98 -40.23 0.99 0.00 99.01 0.09 0.09 0.71 98.66 0.44 0.00 0.00 0.00 45 D H H 54.11 5.65 12.97 20.58 92.06 49.56 -65.19 -40.70 0.39 0.00 99.61 0.07 0.03 0.23 99.24 0.43 0.00 0.00 0.00 46 V H H 62.24 4.40 14.61 20.59 91.75 50.07 -64.21 -41.68 0.20 0.00 99.80 0.03 0.02 0.12 99.69 0.13 0.00 0.00 0.00 47 A H H 50.72 2.78 16.27 19.57 91.50 50.37 -63.20 -41.81 0.24 0.00 99.76 0.03 0.01 0.15 99.75 0.06 0.00 0.00 0.00 48 M H H 88.01 3.69 16.11 20.50 91.81 50.05 -64.28 -40.94 0.18 0.00 99.82 0.02 0.00 0.11 99.82 0.04 0.00 0.00 0.00 49 E H H 87.59 4.53 15.54 21.18 91.47 50.58 -64.48 -40.87 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 50 R H H 131.48 2.17 17.04 18.98 91.69 50.17 -64.41 -41.13 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 51 R H H 119.45 2.65 16.24 19.10 91.82 50.23 -64.30 -41.27 0.22 0.00 99.78 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 52 D H H 68.09 4.15 15.16 20.40 91.93 49.96 -64.50 -40.39 0.41 0.00 99.59 0.04 0.02 0.25 99.63 0.06 0.00 0.00 0.00 53 K H H 114.96 2.38 15.98 18.57 91.75 50.38 -64.64 -40.46 0.42 0.00 99.58 0.04 0.02 0.26 99.61 0.07 0.00 0.00 0.00 54 K H H 115.66 1.89 15.85 17.42 91.92 50.56 -64.75 -41.10 0.85 0.00 99.15 0.11 0.06 0.51 99.21 0.12 0.00 0.00 0.00 55 V H H 77.62 2.76 14.83 18.07 92.05 49.11 -64.69 -41.70 1.51 0.00 98.48 0.23 0.12 0.94 98.49 0.22 0.00 0.00 0.00 56 V H H 75.84 3.04 14.06 17.94 92.20 48.68 -64.98 -41.03 1.74 0.00 98.25 0.37 0.18 0.94 98.22 0.29 0.00 0.00 0.00 57 E H H 108.89 1.99 14.18 16.41 92.11 51.33 -64.93 -40.16 2.48 0.01 97.52 0.48 0.22 1.50 97.08 0.70 0.00 0.00 0.00 58 K H H 131.00 1.59 13.96 15.40 92.44 50.32 -66.40 -38.72 4.01 0.01 95.98 0.58 0.36 2.76 95.16 1.12 0.00 0.00 0.00 59 A H H 66.73 2.47 12.22 15.54 93.16 51.13 -67.99 -35.19 8.99 0.02 90.99 1.20 0.92 6.46 90.10 1.28 0.01 0.01 0.01 60 A H H 71.59 2.37 10.94 14.36 95.93 53.53 -75.58 -26.04 24.58 0.18 75.24 5.51 4.85 14.87 72.78 1.77 0.03 0.06 0.13 61 A H H 73.84 2.42 9.40 13.22 99.97 67.90 -76.49 -19.27 47.70 0.68 51.62 22.37 11.44 15.74 43.02 6.72 0.03 0.27 0.42 62 P C C 110.29 1.59 8.92 11.58 101.17 54.04 -76.69 -8.46 60.91 0.78 38.31 34.23 7.61 19.50 30.46 7.34 0.01 0.36 0.48 63 S C C 89.56 1.58 8.02 10.88 104.30 65.04 -86.92 23.39 75.96 0.56 23.48 57.75 2.25 17.03 18.40 3.92 0.00 0.25 0.40 64 S C C 87.61 2.07 9.67 13.20 106.03 108.51 -88.13 64.40 99.92 0.02 0.06 99.72 0.13 0.11 0.03 0.00 0.00 0.01 0.00