# 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 97.01 5.90 12.62 19.76 106.90 -144.95 -85.06 99.79 99.81 0.06 0.13 99.78 0.05 0.05 0.09 0.00 0.00 0.02 0.01 1 S H H 67.23 3.63 10.96 16.05 96.96 131.91 -67.51 -39.17 41.20 1.01 57.79 35.38 0.98 4.93 56.79 1.10 0.00 0.40 0.42 2 V H H 110.04 1.16 11.45 12.49 93.52 53.35 -66.85 -38.56 15.14 0.42 84.44 7.46 2.32 5.14 83.62 1.11 0.00 0.24 0.12 3 L H H 106.08 1.51 12.29 13.83 92.90 50.06 -66.59 -39.73 6.47 0.23 93.30 3.04 0.90 2.52 92.27 1.06 0.00 0.17 0.04 4 F H H 93.23 5.78 11.12 18.32 92.90 50.25 -66.98 -38.92 2.68 0.06 97.25 1.28 0.36 1.00 96.53 0.77 0.00 0.05 0.01 5 Q H H 97.83 4.09 13.21 18.53 92.44 53.24 -64.19 -40.64 1.42 0.04 98.54 0.64 0.16 0.56 98.30 0.30 0.00 0.04 0.00 6 L H H 107.74 1.18 16.24 15.89 92.39 49.83 -65.02 -40.78 0.67 0.02 99.31 0.25 0.06 0.31 99.18 0.18 0.00 0.01 0.00 7 L H H 78.25 4.13 15.16 20.08 92.21 50.08 -65.02 -41.38 0.50 0.01 99.49 0.17 0.04 0.25 99.40 0.13 0.00 0.01 0.00 8 I H H 60.26 9.10 13.76 23.95 92.06 50.25 -64.19 -41.74 0.43 0.01 99.56 0.10 0.03 0.25 99.53 0.08 0.00 0.01 0.00 9 A H H 61.85 2.71 17.40 19.99 91.85 50.56 -63.85 -41.09 0.27 0.00 99.73 0.05 0.02 0.14 99.74 0.04 0.00 0.00 0.00 10 A H H 60.41 1.88 17.85 18.79 91.71 50.56 -64.20 -41.87 0.20 0.00 99.80 0.04 0.01 0.11 99.82 0.03 0.00 0.00 0.00 11 F H H 80.52 8.13 15.52 24.50 92.08 49.64 -64.95 -41.43 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 12 V H H 63.17 7.99 15.76 24.63 91.95 50.41 -64.07 -41.79 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 13 A H H 65.84 1.68 19.05 19.27 91.54 50.27 -64.11 -41.63 0.27 0.00 99.73 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 14 L H H 86.48 3.11 18.03 21.07 91.93 49.10 -64.90 -41.48 0.62 0.00 99.38 0.07 0.03 0.43 99.32 0.15 0.00 0.00 0.00 15 S H H 28.82 11.02 13.69 26.04 91.93 50.97 -64.32 -41.35 2.46 0.00 97.53 0.22 0.12 1.93 97.46 0.26 0.00 0.00 0.00 16 F H H 110.50 4.51 17.20 22.45 91.93 51.11 -64.27 -41.07 1.90 0.00 98.10 0.20 0.13 1.35 97.91 0.41 0.00 0.00 0.00 17 A H H 66.99 1.84 17.94 18.88 91.86 51.40 -64.98 -40.11 1.24 0.01 98.75 0.20 0.09 0.78 98.12 0.80 0.00 0.00 0.00 18 M H H 87.45 6.28 15.51 22.82 92.57 49.84 -67.11 -37.45 1.85 0.01 98.14 0.24 0.12 1.33 96.58 1.72 0.00 0.01 0.00 19 I H H 75.35 8.59 14.84 24.25 93.24 50.58 -66.53 -38.98 2.91 0.04 97.05 0.29 0.18 2.33 94.94 2.21 0.01 0.03 0.01 20 I H H 104.97 2.56 17.43 19.91 93.94 48.56 -71.01 -36.99 13.20 0.09 86.71 0.65 0.70 12.10 84.09 2.32 0.05 0.05 0.04 21 G H H 34.72 4.14 15.90 21.03 93.56 52.42 -69.73 -35.26 29.24 0.08 70.68 1.77 1.48 25.50 69.34 1.81 0.02 0.03 0.05 22 V H H 57.03 8.11 14.34 23.78 92.88 57.52 -64.08 -42.73 14.52 0.13 85.35 5.87 3.54 5.64 82.01 2.82 0.01 0.06 0.06 23 P H H 65.25 4.75 15.81 21.89 91.98 51.53 -63.89 -39.40 8.47 0.12 91.40 3.70 1.10 3.83 85.91 5.33 0.01 0.08 0.04 24 V H H 84.90 2.74 16.49 19.51 92.49 50.86 -65.46 -40.53 3.66 0.09 96.25 1.09 0.51 2.04 88.50 7.77 0.01 0.07 0.02 25 V H H 71.30 5.70 14.35 21.26 92.50 50.48 -65.84 -39.69 4.34 0.09 95.57 0.96 0.57 2.72 87.62 8.03 0.01 0.07 0.02 26 F H H 117.91 5.62 13.43 20.20 93.24 49.11 -71.09 -27.75 16.98 0.21 82.81 2.32 1.89 12.69 76.26 6.55 0.08 0.12 0.10 27 S H H 76.77 2.89 12.84 16.91 95.15 57.50 -81.47 -11.66 45.86 0.61 53.53 7.62 7.70 31.39 48.74 3.77 0.12 0.25 0.39 28 T C S 80.44 4.34 10.61 16.60 108.47 81.10 -86.62 102.69 87.98 1.36 10.66 29.87 45.24 12.08 9.72 1.68 0.01 0.48 0.94 29 G C C 57.16 2.21 12.17 15.45 102.21 -130.13 -57.69 7.22 91.81 0.98 7.20 48.10 22.69 21.33 3.28 3.61 0.00 0.45 0.54 30 D C C 101.20 3.35 11.26 16.10 108.85 101.85 -89.75 114.57 88.37 0.95 10.68 35.91 30.39 22.70 5.22 4.74 0.00 0.36 0.69 31 A C C 65.64 4.05 12.28 17.65 104.02 -129.58 -76.42 54.53 84.56 0.63 14.81 51.00 16.83 16.71 9.88 4.84 0.00 0.24 0.50 32 S H H 60.38 6.06 11.08 18.73 96.20 111.55 -62.87 -38.22 42.69 0.42 56.89 26.40 8.87 8.76 49.35 6.21 0.01 0.16 0.24 33 D H H 105.45 1.59 14.62 16.09 93.49 51.60 -66.97 -38.47 18.04 0.18 81.78 6.85 3.75 8.08 73.13 7.99 0.02 0.09 0.08 34 D H H 91.16 1.93 15.71 17.33 93.25 50.01 -67.40 -38.88 13.43 0.13 86.43 4.46 2.30 6.78 78.53 7.77 0.02 0.08 0.06 35 A H H 34.66 7.70 12.36 22.04 93.00 51.47 -66.06 -38.85 12.53 0.11 87.37 4.90 1.99 5.71 81.53 5.76 0.01 0.05 0.05 36 N H H 76.78 6.01 14.77 22.13 92.48 53.84 -64.16 -39.94 8.04 0.07 91.89 4.06 1.28 2.78 89.97 1.84 0.00 0.04 0.02 37 K H H 129.59 1.67 17.67 18.51 92.15 51.26 -65.55 -39.87 6.21 0.07 93.72 2.80 0.88 2.65 91.87 1.74 0.00 0.04 0.02 38 L H H 87.40 3.82 16.74 20.97 92.23 50.28 -65.51 -41.50 5.20 0.11 94.69 2.24 0.82 2.40 92.73 1.71 0.01 0.06 0.03 39 I H H 69.13 8.59 14.74 24.37 92.01 49.71 -64.28 -42.54 4.06 0.17 95.77 1.53 0.67 2.03 94.49 1.12 0.02 0.10 0.04 40 W H H 148.62 3.13 17.55 21.00 92.24 48.55 -64.92 -40.96 4.75 0.17 95.09 1.55 0.75 2.59 93.81 1.13 0.02 0.09 0.05 41 G H H 41.05 1.98 18.59 19.59 92.16 49.50 -65.02 -41.30 7.28 0.08 92.64 1.38 0.87 4.99 91.59 1.07 0.03 0.04 0.04 42 G H H 28.22 6.27 15.89 23.47 93.05 50.19 -65.43 -41.32 9.34 0.05 90.61 1.31 0.99 6.84 89.84 0.96 0.02 0.02 0.03 43 A H H 45.36 7.03 15.82 24.11 92.58 50.59 -64.51 -40.88 4.28 0.01 95.70 0.90 0.55 2.61 95.37 0.55 0.00 0.00 0.01 44 A H H 62.76 2.15 18.76 20.12 92.07 51.06 -64.06 -41.10 2.04 0.00 97.95 0.45 0.21 1.20 97.80 0.34 0.00 0.00 0.00 45 A H H 57.84 3.11 17.74 20.82 91.97 49.97 -64.71 -41.24 1.25 0.00 98.75 0.27 0.11 0.74 98.56 0.32 0.00 0.00 0.00 46 W H H 99.30 8.92 15.01 24.77 92.37 50.50 -64.97 -40.96 0.81 0.00 99.19 0.17 0.06 0.48 99.08 0.21 0.00 0.00 0.00 47 V H H 77.58 4.10 17.31 21.97 91.80 50.94 -63.96 -41.72 0.29 0.00 99.71 0.05 0.02 0.17 99.69 0.07 0.00 0.00 0.00 48 V H H 87.58 1.71 18.83 19.20 91.84 50.32 -64.22 -41.75 0.16 0.00 99.84 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 49 L H H 69.95 6.75 16.03 23.67 91.96 49.96 -64.76 -41.06 0.13 0.00 99.86 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 50 L H H 68.77 8.16 15.35 24.59 91.84 50.67 -63.95 -41.86 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 51 F H H 127.58 1.86 18.71 19.59 91.92 49.83 -64.24 -41.72 0.20 0.00 99.80 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 52 V H H 79.13 2.93 18.16 20.74 91.91 48.71 -64.82 -41.80 0.40 0.00 99.60 0.04 0.02 0.28 99.57 0.09 0.00 0.00 0.00 53 A H H 34.16 9.17 14.32 24.87 91.94 50.24 -64.33 -41.24 0.86 0.00 99.13 0.10 0.05 0.60 98.99 0.25 0.00 0.00 0.00 54 A H H 50.19 4.99 15.47 21.74 91.84 51.58 -63.65 -40.49 2.72 0.01 97.27 0.32 0.18 2.02 96.66 0.81 0.00 0.00 0.00 55 L H H 102.48 1.43 17.24 17.25 92.15 50.49 -65.18 -39.99 5.38 0.03 94.59 0.82 0.46 3.92 93.33 1.45 0.01 0.01 0.01 56 A H H 54.00 4.14 13.81 18.98 92.96 51.00 -66.81 -37.34 9.14 0.09 90.77 2.18 1.12 5.92 88.03 2.65 0.02 0.05 0.04 57 S H H 50.68 7.13 10.38 19.03 93.36 55.89 -68.74 -29.66 21.12 0.25 78.63 5.48 2.33 13.04 70.87 8.00 0.03 0.14 0.12 58 I H H 122.85 1.76 11.65 14.11 93.76 59.59 -71.15 -26.56 31.90 0.44 67.66 5.69 3.33 21.99 58.07 10.37 0.08 0.27 0.20 59 V H H 118.17 1.18 10.61 11.85 97.94 52.89 -79.35 -19.43 40.72 1.90 57.39 10.52 5.16 25.24 49.03 7.98 0.15 1.27 0.66 60 V C H 102.72 3.37 8.52 13.24 102.93 59.54 -89.66 -5.42 55.18 6.66 38.16 34.35 2.96 17.44 35.36 3.21 0.03 3.76 2.90 61 I C C 115.67 3.99 11.22 16.74 109.08 99.19 -91.54 86.00 99.77 0.22 0.02 99.77 0.05 0.03 0.01 0.00 0.00 0.12 0.01