# 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 126.22 3.48 10.29 15.42 114.82 -152.07 -87.58 134.17 99.95 0.03 0.02 99.89 0.05 0.03 0.01 0.00 0.00 0.01 0.00 1 A C C 80.03 2.45 9.11 13.09 112.15 -116.04 -78.06 139.14 84.60 0.73 14.67 80.29 0.96 3.76 13.25 1.04 0.00 0.27 0.44 2 A C C 75.50 2.77 8.70 13.11 112.18 -106.99 -77.62 146.21 63.31 0.51 36.18 42.75 8.98 10.29 34.27 3.22 0.00 0.21 0.29 3 P C H 91.23 3.11 9.46 14.04 105.67 -99.42 -72.91 131.54 56.91 0.39 42.71 40.67 5.46 9.40 41.10 3.01 0.00 0.16 0.21 4 T H H 85.20 2.61 10.17 14.02 106.82 -110.00 -78.74 -36.65 26.51 0.29 73.20 18.32 4.13 4.94 69.55 2.80 0.00 0.12 0.14 5 L H H 115.49 1.56 11.15 13.04 94.05 -53.63 -65.32 -37.92 8.66 0.09 91.24 4.27 1.60 3.18 89.22 1.64 0.01 0.04 0.04 6 T H H 80.74 1.91 12.20 14.63 92.94 51.40 -65.76 -39.56 5.07 0.05 94.88 2.47 0.75 1.98 93.59 1.16 0.01 0.02 0.02 7 A H H 51.73 3.78 11.80 17.26 92.38 51.41 -65.05 -40.28 2.08 0.02 97.90 0.88 0.30 0.89 97.29 0.62 0.00 0.01 0.01 8 R H H 138.76 1.96 13.90 16.13 92.34 50.42 -65.14 -40.76 1.46 0.02 98.51 0.47 0.19 0.76 98.02 0.53 0.01 0.01 0.01 9 L H H 94.55 1.77 14.23 15.81 92.22 49.84 -64.77 -41.61 1.41 0.02 98.57 0.37 0.16 0.81 98.09 0.54 0.01 0.01 0.01 10 Y H H 117.02 2.92 13.16 17.12 92.46 49.21 -66.11 -40.57 2.27 0.03 97.70 0.57 0.27 1.36 97.04 0.72 0.01 0.01 0.01 11 S H H 56.28 3.53 12.80 17.67 92.47 51.19 -65.68 -39.38 4.58 0.03 95.39 0.54 0.38 3.56 94.48 0.98 0.03 0.01 0.01 12 L H H 99.45 1.83 13.95 15.74 93.50 48.50 -67.73 -40.37 9.42 0.04 90.54 0.48 0.72 8.56 88.62 1.49 0.08 0.01 0.03 13 L H H 100.73 2.31 13.26 15.97 95.54 42.42 -73.31 -39.91 26.81 0.12 73.07 0.96 2.15 24.29 69.40 2.85 0.22 0.04 0.10 14 F H H 118.70 3.74 11.81 16.89 97.65 40.61 -83.14 -25.90 44.39 0.37 55.23 3.36 5.10 35.60 48.11 7.11 0.25 0.16 0.30 15 R C T 150.95 2.61 12.72 16.31 95.24 62.97 -73.11 -24.47 57.13 0.86 42.00 9.63 11.70 35.85 32.55 9.09 0.17 0.37 0.62 16 R C C 142.80 2.80 12.18 16.09 105.21 56.95 -94.45 62.58 66.12 1.51 32.37 28.15 14.76 24.45 22.90 8.10 0.04 0.60 0.99 17 T H H 74.97 4.78 11.25 17.66 105.79 99.38 -79.41 -30.48 43.42 0.88 55.70 27.71 11.26 5.18 53.10 1.99 0.01 0.27 0.47 18 S H H 74.46 2.28 13.37 16.11 94.56 45.75 -66.57 -35.62 12.38 0.11 87.52 4.30 2.35 5.90 85.61 1.72 0.01 0.04 0.05 19 T H H 75.62 2.77 14.03 17.39 93.02 52.22 -66.13 -39.98 5.53 0.05 94.42 1.98 0.72 2.64 93.50 1.12 0.00 0.03 0.02 20 F H H 99.39 4.84 13.02 19.43 92.55 50.84 -65.45 -40.59 1.62 0.01 98.37 0.57 0.18 0.71 97.93 0.59 0.00 0.00 0.00 21 A H H 58.21 3.37 14.28 18.52 91.92 51.42 -64.03 -41.26 0.66 0.00 99.34 0.19 0.05 0.30 99.24 0.21 0.00 0.00 0.00 22 L H H 100.61 1.75 15.80 17.04 91.93 50.23 -64.97 -40.32 0.49 0.00 99.50 0.10 0.03 0.26 99.46 0.15 0.00 0.00 0.00 23 T H H 72.06 2.74 15.05 18.37 92.41 49.78 -65.40 -41.50 0.46 0.00 99.54 0.07 0.03 0.27 99.53 0.10 0.00 0.00 0.00 24 I H H 89.15 3.67 14.85 19.40 92.16 49.21 -64.80 -42.10 0.47 0.00 99.53 0.05 0.03 0.31 99.54 0.07 0.00 0.00 0.00 25 A H H 61.79 2.44 16.06 18.50 91.90 49.69 -64.13 -42.04 0.55 0.00 99.45 0.07 0.03 0.37 99.46 0.07 0.00 0.00 0.00 26 V H H 83.59 1.73 16.85 17.72 91.81 49.34 -64.19 -42.09 0.42 0.00 99.58 0.05 0.03 0.26 99.61 0.06 0.00 0.00 0.00 27 G H H 32.33 2.95 15.48 19.25 91.84 50.52 -63.45 -41.75 0.33 0.00 99.67 0.04 0.01 0.20 99.70 0.05 0.00 0.00 0.00 28 A H H 51.35 3.18 14.98 19.06 91.58 50.52 -63.41 -41.67 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 29 L H H 93.27 2.14 15.92 17.91 91.79 50.17 -64.08 -41.85 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 30 F H H 124.75 1.57 16.17 16.90 91.83 49.95 -64.19 -41.96 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 31 F H H 119.76 1.91 15.53 17.18 91.98 49.41 -64.69 -41.31 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 32 E H H 99.64 2.92 14.91 18.53 91.98 50.82 -64.24 -40.94 0.23 0.00 99.76 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 33 R H H 130.69 2.21 15.63 17.90 91.85 50.09 -64.85 -40.96 0.33 0.00 99.67 0.03 0.01 0.23 99.67 0.06 0.00 0.00 0.00 34 A H H 59.67 1.90 16.04 17.54 91.86 50.38 -63.93 -41.81 0.58 0.00 99.42 0.06 0.03 0.39 99.43 0.09 0.00 0.00 0.00 35 F H H 120.02 1.90 16.10 17.58 92.00 49.15 -64.82 -41.41 0.82 0.00 99.18 0.12 0.06 0.52 99.16 0.13 0.00 0.00 0.00 36 D H H 74.90 3.34 14.93 19.19 92.11 49.95 -64.60 -41.18 0.97 0.00 99.03 0.16 0.07 0.60 99.05 0.12 0.00 0.00 0.00 37 Q H H 105.63 2.11 16.23 18.17 91.91 49.68 -64.96 -41.04 0.99 0.00 99.01 0.10 0.06 0.68 99.03 0.13 0.00 0.00 0.00 38 G H H 39.61 1.79 16.66 17.73 91.95 49.93 -64.23 -41.37 1.30 0.00 98.70 0.16 0.09 0.86 98.74 0.15 0.00 0.00 0.00 39 A H H 54.44 2.66 15.53 18.69 91.85 50.30 -64.49 -41.25 1.01 0.00 98.98 0.14 0.07 0.62 99.03 0.14 0.00 0.00 0.00 40 D H H 74.72 3.39 15.32 19.60 91.94 50.76 -64.58 -40.57 0.81 0.00 99.19 0.10 0.05 0.49 99.23 0.12 0.00 0.00 0.00 41 A H H 56.62 2.21 15.55 17.88 91.65 50.97 -63.62 -41.52 0.95 0.00 99.05 0.10 0.05 0.62 99.07 0.15 0.00 0.00 0.00 42 I H H 96.83 1.60 15.84 16.65 91.66 49.19 -63.88 -42.30 0.79 0.00 99.21 0.09 0.05 0.53 99.15 0.16 0.00 0.00 0.00 43 Y H H 115.94 2.92 13.85 17.74 92.15 49.21 -64.84 -41.29 0.78 0.00 99.22 0.11 0.06 0.50 99.05 0.28 0.00 0.00 0.00 44 E H H 96.97 3.75 12.77 17.92 91.88 50.93 -64.78 -39.45 1.48 0.00 98.51 0.17 0.10 1.08 98.06 0.58 0.00 0.00 0.00 45 H H H 136.75 1.11 14.39 14.59 92.99 47.90 -68.97 -39.06 3.33 0.01 96.66 0.25 0.23 2.71 95.97 0.83 0.01 0.00 0.00 46 I H H 114.12 1.51 13.80 14.88 95.54 43.37 -75.29 -34.06 12.11 0.02 87.86 0.68 0.96 10.40 86.94 0.97 0.02 0.01 0.02 47 N C H 77.89 5.06 10.34 17.23 99.85 41.32 -99.14 2.50 50.62 0.31 49.07 8.88 5.29 35.62 48.05 1.83 0.02 0.10 0.21 48 Q C H 113.43 3.61 11.75 16.95 101.28 126.71 -64.87 44.52 55.14 0.50 44.36 14.09 7.64 33.67 38.39 5.63 0.04 0.20 0.34 49 G C H 47.93 2.65 13.79 17.05 97.70 16.14 71.46 -17.60 50.21 0.30 49.48 9.04 7.51 33.62 40.72 8.73 0.04 0.13 0.21 50 K H H 126.30 2.07 13.80 16.05 95.19 65.60 -74.22 -26.32 35.75 0.32 63.93 11.42 6.26 18.37 54.42 9.17 0.03 0.15 0.18 51 L H H 78.97 4.65 12.17 18.51 93.98 65.20 -65.64 -39.70 22.91 0.29 76.80 9.28 3.77 10.45 69.22 6.97 0.02 0.15 0.14 52 W H H 135.62 3.28 12.90 17.39 92.12 52.01 -64.57 -40.05 6.63 0.08 93.29 2.59 0.96 3.20 88.17 5.00 0.00 0.04 0.02 53 K H H 126.81 1.46 15.14 16.02 91.99 51.76 -64.91 -40.38 4.18 0.03 95.78 1.02 0.47 2.57 91.33 4.58 0.00 0.02 0.01 54 H H H 106.32 2.09 14.35 16.58 92.43 49.47 -65.66 -40.51 6.31 0.04 93.66 1.14 0.62 4.39 89.15 4.65 0.01 0.02 0.01 55 I H H 78.99 3.44 13.05 17.78 92.53 48.33 -65.87 -41.04 6.40 0.05 93.55 1.73 0.86 3.82 91.19 2.35 0.01 0.02 0.02 56 K H H 107.97 2.48 13.63 16.93 91.72 52.33 -63.15 -41.35 3.11 0.02 96.86 0.93 0.36 1.71 94.90 2.09 0.00 0.01 0.00 57 H H H 108.46 1.52 13.81 15.03 92.05 50.30 -64.45 -40.60 3.38 0.02 96.60 0.73 0.34 2.17 94.01 2.74 0.00 0.01 0.00 58 K H H 115.76 1.78 12.91 14.92 92.10 50.24 -65.39 -39.78 4.23 0.03 95.74 1.00 0.51 2.59 93.02 2.86 0.01 0.01 0.01 59 Y H H 123.48 2.70 10.55 14.59 92.76 49.44 -67.58 -37.77 7.96 0.09 91.95 2.58 1.28 4.33 89.56 2.14 0.01 0.04 0.04 60 E H H 127.38 1.53 10.14 12.36 93.20 52.60 -68.63 -32.84 15.35 0.14 84.52 4.55 2.36 8.61 82.25 2.09 0.02 0.06 0.07 61 N H H 124.95 0.94 9.51 10.61 95.95 53.33 -77.74 -14.99 33.42 0.18 66.41 9.18 4.16 19.93 64.71 1.84 0.01 0.06 0.11 62 K C H 149.40 1.73 7.74 10.86 101.86 70.83 -82.82 5.71 63.64 0.17 36.20 36.16 1.83 23.06 37.49 1.29 0.00 0.05 0.11 63 E C C 145.30 1.97 10.14 13.52 106.48 97.44 -81.06 101.33 99.94 0.01 0.05 99.79 0.06 0.11 0.03 0.00 0.00 0.00 0.00