# 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 99.50 5.96 12.24 19.52 107.67 -142.43 -85.85 102.74 99.83 0.06 0.11 99.80 0.05 0.04 0.07 0.00 0.00 0.02 0.01 1 T H H 83.97 3.46 10.96 15.78 98.00 149.82 -69.82 -37.76 46.25 1.32 52.43 41.83 0.97 3.74 51.41 0.98 0.00 0.50 0.58 2 I H H 124.70 1.33 11.28 12.73 94.05 54.45 -66.74 -38.86 13.53 0.32 86.16 7.13 2.02 4.28 85.31 0.99 0.00 0.16 0.10 3 A H H 69.86 1.55 12.14 13.82 93.22 50.67 -66.52 -40.07 6.32 0.18 93.50 3.05 0.86 2.44 92.51 0.97 0.00 0.12 0.04 4 F H H 98.19 5.17 11.37 17.93 93.49 49.83 -68.27 -38.46 2.54 0.05 97.40 1.25 0.34 0.97 96.71 0.68 0.00 0.04 0.01 5 Q H H 93.99 4.61 13.27 19.25 92.50 53.65 -64.21 -40.95 1.24 0.03 98.73 0.56 0.14 0.50 98.53 0.25 0.00 0.02 0.00 6 L H H 104.77 1.33 16.50 16.48 92.27 49.94 -64.87 -40.91 0.56 0.01 99.43 0.20 0.05 0.26 99.36 0.12 0.00 0.00 0.00 7 A H H 52.09 3.67 15.44 19.97 92.24 50.65 -64.78 -41.18 0.41 0.00 99.59 0.12 0.03 0.21 99.55 0.09 0.00 0.00 0.00 8 V H H 54.03 8.41 14.11 23.75 92.09 49.97 -64.26 -42.08 0.38 0.00 99.62 0.08 0.02 0.23 99.60 0.07 0.00 0.00 0.00 9 F H H 116.50 2.97 17.59 20.62 91.94 50.17 -64.20 -41.44 0.21 0.00 99.79 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 10 A H H 59.30 2.01 17.79 19.10 91.59 50.70 -63.62 -41.78 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 11 L H H 68.94 7.20 15.83 23.94 92.07 49.97 -64.90 -41.31 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 12 I H H 76.32 7.29 16.28 24.41 92.05 49.80 -64.32 -41.79 0.22 0.00 99.78 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 13 I H H 101.55 1.82 19.23 19.68 91.74 49.47 -64.44 -41.83 0.35 0.00 99.65 0.05 0.02 0.21 99.68 0.04 0.00 0.00 0.00 14 T H H 67.64 3.34 18.19 21.67 92.05 49.26 -64.76 -41.71 0.72 0.00 99.27 0.12 0.05 0.45 99.29 0.10 0.00 0.00 0.00 15 S H H 31.37 10.18 14.42 26.00 92.07 50.85 -64.89 -40.77 2.32 0.01 97.67 0.28 0.16 1.67 97.71 0.17 0.00 0.00 0.00 16 S H H 54.47 4.50 17.34 22.65 92.03 51.54 -64.20 -40.75 2.59 0.01 97.41 0.39 0.24 1.67 97.45 0.24 0.00 0.00 0.00 17 I H H 100.70 1.89 18.18 19.16 91.92 50.29 -64.87 -41.11 1.19 0.00 98.81 0.19 0.10 0.75 98.45 0.51 0.00 0.00 0.00 18 L H H 74.25 6.75 15.14 23.13 92.20 50.42 -65.75 -39.63 0.98 0.00 99.01 0.13 0.06 0.67 98.11 1.03 0.00 0.00 0.00 19 L H H 82.98 6.97 15.28 23.20 92.23 50.97 -65.93 -38.99 1.78 0.00 98.22 0.12 0.08 1.46 96.67 1.66 0.00 0.00 0.00 20 I H H 110.41 1.96 17.40 18.71 94.01 47.36 -70.84 -36.40 9.58 0.02 90.40 0.24 0.33 9.42 88.24 1.74 0.02 0.00 0.01 21 S H H 53.54 4.45 15.53 21.07 94.02 50.29 -72.92 -33.30 18.77 0.02 81.22 0.56 0.77 17.57 79.84 1.23 0.01 0.00 0.01 22 V H H 54.22 9.04 13.66 24.09 92.56 58.67 -63.04 -43.34 6.59 0.02 93.38 1.73 1.28 3.28 91.66 2.03 0.01 0.01 0.01 23 P H H 69.40 4.02 16.29 21.26 91.81 51.03 -64.27 -39.82 3.75 0.03 96.22 1.04 0.40 2.13 92.57 3.82 0.00 0.02 0.01 24 V H H 86.64 2.28 16.90 18.97 92.59 49.89 -65.52 -41.05 1.72 0.02 98.26 0.32 0.19 1.10 93.56 4.80 0.00 0.02 0.00 25 V H H 64.21 6.98 13.92 22.29 92.70 49.53 -65.95 -40.30 2.54 0.03 97.43 0.37 0.26 1.79 93.05 4.48 0.01 0.02 0.00 26 F H H 111.94 6.45 13.36 21.17 93.01 50.11 -71.17 -27.63 14.95 0.08 84.96 1.16 1.16 12.53 81.47 3.53 0.05 0.04 0.04 27 A H H 80.05 2.24 13.92 16.72 95.00 56.86 -83.66 -11.10 47.58 0.50 51.92 5.97 7.86 33.83 49.08 2.63 0.11 0.17 0.36 28 S C S 49.15 6.36 9.08 17.56 117.58 94.89 -84.80 141.51 97.45 0.90 1.66 44.31 50.65 2.48 1.21 0.41 0.00 0.27 0.67 29 P C T 109.48 2.05 11.52 14.76 99.50 -116.12 -65.21 -12.06 83.87 0.75 15.38 29.45 18.67 36.41 5.85 8.77 0.00 0.32 0.51 30 D C T 112.80 2.00 11.37 14.46 103.31 62.03 -87.05 28.37 81.13 0.71 18.17 18.46 19.74 43.45 7.59 9.88 0.01 0.30 0.58 31 G C C 39.57 5.27 12.30 19.01 103.00 -7.51 72.16 -0.63 74.89 0.89 24.22 35.01 17.83 22.58 11.87 11.62 0.01 0.34 0.74 32 W C H 129.50 7.63 10.17 19.04 96.16 100.52 -67.86 -31.40 52.01 0.86 47.13 26.81 10.62 15.30 30.63 15.68 0.02 0.36 0.57 33 S H H 78.30 2.33 13.53 16.59 95.10 62.20 -69.49 -30.16 43.94 0.67 55.38 18.51 8.73 16.76 37.30 17.96 0.04 0.31 0.39 34 S H H 74.39 2.42 14.00 16.84 96.79 54.71 -76.17 -24.42 41.92 0.60 57.48 15.84 9.14 16.93 40.49 16.93 0.04 0.27 0.36 35 N H H 73.45 7.43 11.55 20.28 101.50 53.72 -90.01 -4.15 43.25 0.60 56.14 24.14 8.09 11.54 44.27 11.35 0.01 0.27 0.34 36 K H H 116.70 5.27 13.24 20.03 94.36 97.61 -65.41 -36.09 28.86 0.43 70.71 15.19 5.58 9.15 65.01 4.67 0.02 0.20 0.20 37 N H H 101.88 2.42 15.86 18.51 93.95 54.06 -70.16 -33.59 23.96 0.55 75.49 13.47 3.78 7.70 70.24 4.30 0.01 0.29 0.20 38 V H H 71.50 5.16 15.19 21.49 93.55 52.32 -66.60 -41.46 12.40 0.88 86.72 6.78 2.38 4.43 81.36 4.23 0.03 0.60 0.21 39 V H H 66.67 7.19 14.73 23.07 92.78 49.64 -65.18 -41.75 10.08 1.78 88.14 4.81 1.85 4.21 83.68 3.67 0.05 1.48 0.26 40 F H H 117.40 3.52 16.69 20.83 93.26 47.69 -66.63 -39.99 12.80 2.26 84.93 5.38 2.39 5.93 80.33 3.70 0.08 1.83 0.36 41 S H H 61.09 3.05 17.37 20.53 93.41 51.18 -66.20 -40.52 18.81 1.10 80.09 5.76 3.25 10.65 76.90 2.34 0.08 0.73 0.29 42 G H H 28.54 6.76 15.45 23.44 93.88 50.63 -65.46 -41.42 21.86 0.39 77.75 5.25 3.51 13.51 75.51 1.81 0.05 0.19 0.16 43 T H H 63.28 5.91 16.27 23.25 93.57 49.83 -66.42 -40.09 9.83 0.12 90.04 3.14 1.62 5.15 88.75 1.21 0.01 0.06 0.05 44 S H H 61.15 2.93 17.63 20.72 92.32 51.68 -64.78 -40.59 4.29 0.05 95.65 1.44 0.59 2.24 94.82 0.87 0.00 0.03 0.02 45 L H H 85.91 4.45 17.18 22.19 92.50 49.87 -65.38 -41.23 2.47 0.04 97.49 0.78 0.30 1.35 96.79 0.75 0.00 0.02 0.01 46 W H H 110.97 7.60 15.99 24.32 92.31 50.25 -65.23 -41.07 1.47 0.03 98.50 0.42 0.16 0.83 98.12 0.44 0.00 0.02 0.01 47 I H H 90.11 3.15 17.87 21.30 92.00 50.30 -64.50 -41.66 0.44 0.00 99.56 0.09 0.04 0.25 99.51 0.11 0.00 0.00 0.00 48 G H H 34.44 3.19 17.44 21.10 91.72 50.98 -63.60 -41.26 0.39 0.00 99.61 0.06 0.02 0.24 99.59 0.09 0.00 0.00 0.00 49 L H H 67.56 7.76 15.91 24.45 92.22 50.27 -65.29 -40.87 0.32 0.00 99.68 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 50 V H H 74.05 5.49 16.73 23.16 92.02 50.23 -64.19 -41.91 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.03 0.00 0.00 0.00 51 F H H 129.39 1.70 18.37 19.05 91.99 49.51 -64.89 -41.45 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 52 L H H 78.80 4.84 17.10 22.51 92.21 48.72 -65.07 -41.52 0.41 0.00 99.59 0.04 0.02 0.29 99.57 0.08 0.00 0.00 0.00 53 V H H 51.99 8.56 14.92 24.69 91.91 50.36 -64.16 -41.85 0.62 0.00 99.38 0.06 0.04 0.44 99.32 0.14 0.00 0.00 0.00 54 G H H 34.76 3.11 16.53 20.24 91.89 51.66 -63.37 -41.38 1.88 0.00 98.11 0.18 0.11 1.43 97.86 0.42 0.00 0.00 0.00 55 I H H 98.33 1.86 16.81 17.98 91.93 49.55 -64.88 -41.38 3.12 0.01 96.87 0.34 0.21 2.37 96.29 0.77 0.00 0.00 0.00 56 L H H 70.23 6.09 13.37 20.64 92.41 49.73 -65.02 -40.66 3.51 0.02 96.47 0.59 0.35 2.36 95.09 1.59 0.00 0.01 0.00 57 N H H 83.58 4.99 12.39 18.84 92.11 53.05 -65.16 -36.34 9.24 0.04 90.72 1.30 0.77 6.79 86.34 4.76 0.01 0.02 0.02 58 S H H 80.92 1.34 12.44 13.88 92.57 55.59 -68.58 -30.57 20.68 0.07 79.25 1.84 1.42 16.68 74.49 5.48 0.02 0.03 0.04 59 L H H 122.87 1.76 10.51 12.93 95.73 53.01 -76.29 -24.41 31.91 0.51 67.58 6.08 4.01 22.18 62.35 4.76 0.09 0.26 0.26 60 I C H 115.01 3.58 8.17 13.25 102.85 57.00 -89.99 -0.46 52.12 5.15 42.73 32.50 3.04 16.80 39.94 2.62 0.04 2.52 2.55 61 S C C 83.96 2.42 11.46 15.35 107.73 110.48 -85.97 103.06 99.88 0.11 0.02 99.85 0.04 0.03 0.01 0.00 0.00 0.06 0.01