# 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 100.13 5.90 12.39 19.58 107.34 -140.79 -86.19 106.07 99.83 0.06 0.11 99.79 0.05 0.04 0.08 0.00 0.00 0.02 0.01 1 T H H 83.65 3.65 10.93 15.97 99.17 149.53 -70.27 -38.46 44.01 1.22 54.77 39.71 1.00 3.64 53.69 0.96 0.00 0.45 0.55 2 I H H 126.76 1.26 11.42 12.74 94.25 54.09 -66.62 -38.39 13.10 0.33 86.57 7.06 1.96 3.96 85.80 0.95 0.00 0.17 0.10 3 A H H 70.86 1.48 12.40 13.87 93.14 50.98 -66.59 -39.86 6.53 0.22 93.25 3.43 0.87 2.29 92.25 0.95 0.00 0.15 0.05 4 F H H 96.14 5.54 11.60 18.55 93.33 49.64 -67.62 -38.81 2.52 0.07 97.41 1.29 0.34 0.94 96.71 0.66 0.00 0.05 0.01 5 Q H H 90.92 5.31 13.49 20.19 92.21 53.68 -63.70 -41.07 1.34 0.03 98.63 0.64 0.15 0.54 98.36 0.28 0.00 0.02 0.01 6 S H H 68.74 1.41 17.06 17.04 92.19 49.92 -64.68 -40.70 0.88 0.01 99.10 0.35 0.09 0.42 98.94 0.19 0.00 0.01 0.00 7 A H H 51.91 3.71 15.96 20.45 92.19 50.66 -64.89 -41.15 0.66 0.01 99.34 0.20 0.05 0.34 99.26 0.14 0.00 0.00 0.00 8 V H H 48.48 9.82 13.96 24.99 91.98 50.28 -64.57 -41.90 0.58 0.01 99.41 0.13 0.04 0.34 99.39 0.09 0.00 0.00 0.00 9 F H H 118.08 3.20 17.87 21.25 91.87 50.51 -63.91 -41.32 0.28 0.00 99.72 0.06 0.02 0.15 99.73 0.04 0.00 0.00 0.00 10 A H H 61.73 1.78 18.45 19.05 91.58 50.69 -63.81 -41.71 0.15 0.00 99.85 0.03 0.01 0.08 99.87 0.02 0.00 0.00 0.00 11 L H H 66.38 7.56 16.15 24.71 92.05 49.64 -64.98 -41.45 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 12 I H H 69.67 8.65 16.10 25.57 92.03 49.80 -64.40 -41.61 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 13 A H H 63.15 1.96 19.29 20.06 91.55 50.30 -63.83 -41.75 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 14 I H H 88.62 2.91 18.67 21.37 91.93 48.90 -64.94 -41.75 0.57 0.00 99.43 0.06 0.03 0.38 99.46 0.08 0.00 0.00 0.00 15 S H H 28.39 11.18 14.20 26.75 91.98 50.86 -64.37 -40.95 2.40 0.00 97.59 0.22 0.11 1.87 97.65 0.15 0.00 0.00 0.00 16 L H H 84.49 5.02 17.51 23.27 91.91 51.25 -64.25 -40.73 1.79 0.00 98.21 0.20 0.13 1.22 98.24 0.21 0.00 0.00 0.00 17 L H H 102.34 1.78 18.46 19.24 91.78 50.70 -65.07 -40.60 0.89 0.00 99.10 0.14 0.06 0.56 98.77 0.47 0.00 0.00 0.00 18 L H H 76.47 6.62 15.62 23.45 92.29 50.18 -66.35 -39.16 1.13 0.00 98.87 0.13 0.06 0.81 98.02 0.98 0.00 0.00 0.00 19 V H H 68.50 8.22 15.45 24.47 92.64 49.78 -65.97 -39.76 2.16 0.01 97.83 0.15 0.10 1.81 96.55 1.38 0.00 0.01 0.00 20 I H H 106.99 2.26 18.10 19.90 93.70 47.02 -71.24 -37.29 11.67 0.03 88.31 0.35 0.46 11.21 86.32 1.61 0.02 0.01 0.01 21 G H H 33.52 4.48 15.96 21.58 93.54 51.58 -69.45 -35.12 21.74 0.03 78.23 0.94 0.96 19.61 77.28 1.17 0.01 0.01 0.02 22 V H H 54.84 9.02 14.54 24.84 92.66 57.86 -63.67 -42.61 6.40 0.03 93.57 1.93 1.28 2.88 92.23 1.66 0.01 0.01 0.01 23 P H H 67.22 4.59 16.88 22.39 92.02 50.70 -63.82 -40.32 3.64 0.03 96.33 1.15 0.41 1.94 93.38 3.08 0.01 0.02 0.01 24 V H H 86.30 2.39 17.63 19.78 92.32 50.05 -65.17 -40.92 1.67 0.02 98.30 0.35 0.19 1.05 94.52 3.88 0.00 0.01 0.00 25 A H H 45.62 7.13 14.12 22.80 92.26 50.83 -65.36 -39.69 2.48 0.02 97.50 0.35 0.24 1.76 93.63 3.99 0.01 0.01 0.00 26 L H H 91.27 6.59 13.84 21.68 92.59 51.51 -70.55 -27.56 14.86 0.07 85.07 1.09 1.10 12.60 81.71 3.39 0.04 0.03 0.04 27 A H H 78.52 2.51 14.21 17.42 95.24 56.25 -83.79 -9.38 46.83 0.49 52.68 6.11 7.55 33.26 49.92 2.54 0.09 0.16 0.36 28 S C C 47.92 6.91 9.02 17.94 117.58 96.03 -82.91 143.88 97.44 0.85 1.71 48.04 46.78 2.63 1.17 0.45 0.00 0.25 0.67 29 P C T 111.34 1.82 11.76 14.59 98.36 -115.74 -64.98 -16.31 84.36 0.68 14.96 28.41 18.54 38.01 5.32 8.95 0.00 0.29 0.48 30 D C T 114.75 1.80 11.59 14.31 103.53 56.34 -87.62 24.20 82.01 0.62 17.36 17.39 19.72 45.37 6.84 9.88 0.01 0.26 0.53 31 G C C 39.13 5.37 12.34 19.16 104.33 -79.70 73.10 -0.10 75.32 0.84 23.84 36.06 17.76 21.94 11.51 11.69 0.01 0.32 0.72 32 W C H 133.16 7.52 10.42 19.16 95.93 95.91 -67.76 -31.41 49.69 0.79 49.52 25.12 10.35 15.00 32.44 16.21 0.02 0.33 0.52 33 S H H 79.58 2.17 14.04 16.76 95.23 60.72 -69.55 -27.82 42.35 0.62 57.03 17.27 8.57 16.56 39.19 17.72 0.04 0.29 0.36 34 S H H 71.42 2.73 14.31 17.56 97.49 52.83 -76.64 -25.23 40.37 0.59 59.03 15.75 8.94 15.82 42.46 16.38 0.04 0.27 0.34 35 S H H 46.43 8.10 11.60 21.02 100.92 54.76 -87.23 -8.07 41.47 0.52 58.01 24.14 7.60 10.34 47.80 9.58 0.01 0.22 0.30 36 K H H 119.32 4.89 13.94 20.27 94.07 85.35 -65.08 -36.59 23.85 0.26 75.90 12.12 4.56 7.78 72.11 3.19 0.01 0.11 0.12 37 N H H 102.83 2.15 16.41 18.49 93.53 52.92 -68.04 -36.07 18.34 0.28 81.38 9.94 2.84 6.15 78.06 2.75 0.01 0.14 0.11 38 V H H 69.70 5.59 15.57 22.23 92.99 52.25 -66.45 -41.40 8.02 0.33 91.65 4.33 1.49 2.88 88.73 2.27 0.01 0.20 0.09 39 V H H 62.35 8.28 15.02 24.34 92.30 49.70 -64.04 -42.41 5.37 0.54 94.09 2.46 0.91 2.32 92.00 1.77 0.02 0.42 0.09 40 F H H 118.78 3.14 17.64 21.14 92.54 48.25 -65.65 -40.80 5.78 0.65 93.57 2.08 0.96 3.00 91.43 1.87 0.03 0.52 0.10 41 S H H 60.13 2.76 18.27 20.84 92.57 50.00 -65.70 -41.19 9.27 0.33 90.40 2.05 1.26 6.16 88.70 1.49 0.04 0.21 0.09 42 G H H 25.19 7.51 15.72 24.60 93.08 50.53 -64.82 -41.22 12.79 0.14 87.07 2.02 1.46 9.28 85.94 1.14 0.03 0.07 0.06 43 V H H 63.92 6.66 16.58 24.45 92.54 49.98 -65.22 -41.16 4.57 0.03 95.40 1.23 0.68 2.56 94.80 0.69 0.00 0.01 0.01 44 S H H 62.15 2.63 18.47 20.90 92.04 51.73 -64.52 -41.02 2.31 0.02 97.68 0.59 0.25 1.34 97.24 0.57 0.00 0.01 0.01 45 L H H 89.65 3.94 17.85 22.08 92.42 49.78 -65.40 -41.46 1.81 0.02 98.17 0.42 0.18 1.12 97.68 0.60 0.00 0.01 0.01 46 W H H 102.60 8.97 15.77 25.40 92.29 49.91 -65.21 -41.10 1.42 0.02 98.55 0.32 0.14 0.89 98.23 0.41 0.00 0.01 0.01 47 I H H 89.54 3.55 18.11 22.09 92.01 50.28 -64.43 -41.71 0.50 0.00 99.50 0.09 0.04 0.30 99.46 0.12 0.00 0.00 0.00 48 G H H 36.07 2.61 18.22 20.72 91.73 50.93 -63.41 -41.39 0.52 0.00 99.47 0.08 0.03 0.33 99.46 0.09 0.00 0.00 0.00 49 S H H 41.34 8.15 15.91 25.04 92.20 50.41 -65.17 -40.58 0.51 0.00 99.49 0.07 0.03 0.32 99.49 0.09 0.00 0.00 0.00 50 V H H 69.42 6.75 16.50 24.28 91.95 50.75 -64.25 -41.78 0.25 0.00 99.74 0.03 0.01 0.16 99.74 0.05 0.00 0.00 0.00 51 L H H 104.40 1.73 18.68 19.34 91.88 49.93 -64.66 -41.40 0.31 0.00 99.68 0.03 0.01 0.21 99.66 0.08 0.00 0.00 0.00 52 F H H 107.11 3.98 17.67 21.88 92.19 48.71 -65.20 -41.36 0.61 0.00 99.39 0.06 0.03 0.43 99.34 0.13 0.00 0.00 0.00 53 V H H 48.53 9.32 14.71 25.17 91.93 50.16 -64.16 -41.82 0.91 0.00 99.09 0.10 0.06 0.62 99.00 0.21 0.00 0.00 0.00 54 G H H 33.79 3.53 16.40 20.81 91.90 51.76 -63.30 -41.36 2.33 0.01 97.66 0.30 0.16 1.66 97.30 0.57 0.00 0.00 0.00 55 I H H 99.50 1.70 16.94 17.74 91.97 49.61 -64.88 -41.23 3.82 0.02 96.17 0.61 0.32 2.68 95.24 1.12 0.01 0.01 0.01 56 L H H 71.43 5.78 13.42 20.42 92.48 49.68 -65.34 -40.16 4.61 0.03 95.36 0.90 0.48 3.03 93.50 2.06 0.01 0.01 0.01 57 N H H 81.75 5.61 11.96 19.07 92.50 53.89 -65.92 -33.64 11.76 0.06 88.18 1.82 1.05 8.51 82.80 5.75 0.02 0.03 0.03 58 S H H 81.69 1.38 12.38 13.95 92.86 56.42 -69.74 -28.52 25.60 0.11 74.29 2.45 1.88 20.34 68.52 6.67 0.03 0.06 0.06 59 F H H 155.85 1.51 10.54 12.58 96.50 52.15 -79.33 -20.96 37.33 0.82 61.85 7.86 4.87 25.01 55.40 5.90 0.12 0.44 0.40 60 I C C 113.49 3.83 7.88 13.25 104.65 60.91 -91.73 16.33 55.92 6.54 37.54 37.18 3.11 15.35 35.16 2.71 0.03 3.42 3.04 61 S C C 85.06 2.29 11.51 15.21 108.03 82.99 -87.04 106.81 99.87 0.11 0.01 99.85 0.04 0.03 0.01 0.00 0.00 0.06 0.01