# 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 106.40 5.37 10.80 17.62 113.79 -148.55 -90.54 134.25 99.89 0.06 0.04 99.77 0.11 0.05 0.02 0.00 0.00 0.02 0.01 1 N C C 101.16 2.60 10.59 14.34 107.33 -134.80 -82.76 130.52 75.27 0.75 23.98 70.20 1.05 4.76 21.67 1.59 0.00 0.31 0.43 2 A H H 74.29 3.10 9.16 13.81 95.26 -108.47 -67.27 -32.22 33.59 0.56 65.85 19.18 6.70 9.73 58.50 5.36 0.02 0.25 0.26 3 K H H 141.35 1.37 11.15 12.91 93.36 55.55 -67.37 -36.92 21.55 0.42 78.04 10.11 4.27 8.42 68.17 8.60 0.03 0.22 0.17 4 S H H 67.59 1.90 11.47 14.02 93.24 51.83 -67.46 -37.36 19.43 0.46 80.11 10.01 3.49 7.06 70.78 8.20 0.02 0.27 0.17 5 F H H 113.01 3.21 11.08 15.66 93.90 51.53 -69.40 -36.31 19.79 0.46 79.75 10.78 3.84 6.73 72.37 5.83 0.02 0.24 0.18 6 D H H 85.41 2.63 12.69 16.29 93.90 56.73 -66.43 -38.17 21.63 0.31 78.06 11.01 3.86 7.73 74.04 3.06 0.01 0.14 0.14 7 G H H 40.04 2.17 13.21 15.87 93.42 51.20 -65.66 -38.66 24.66 0.30 75.04 10.07 3.77 11.62 71.01 3.22 0.02 0.14 0.15 8 M H H 103.64 2.27 12.63 15.56 93.01 52.95 -66.81 -39.07 18.65 0.38 80.97 8.96 3.15 7.62 76.48 3.42 0.02 0.19 0.17 9 H H H 105.33 3.05 12.11 16.41 92.92 53.31 -65.65 -39.71 12.95 0.60 86.45 6.77 2.16 5.14 82.23 3.09 0.03 0.34 0.23 10 K H H 125.53 1.79 12.99 15.11 92.65 52.24 -65.57 -40.02 9.39 0.43 90.19 4.19 1.51 4.47 85.91 3.47 0.03 0.26 0.15 11 L H H 100.50 1.56 12.86 14.40 92.25 50.68 -65.75 -40.68 4.52 0.13 95.35 1.44 0.66 2.55 90.12 5.10 0.02 0.08 0.03 12 W H H 141.26 2.92 11.56 15.75 93.14 50.35 -67.34 -38.17 4.03 0.09 95.88 1.09 0.51 2.39 89.43 6.49 0.01 0.06 0.02 13 M H H 110.11 3.10 11.45 15.85 93.48 51.59 -69.25 -34.69 8.99 0.17 90.84 1.50 0.93 6.50 83.71 7.17 0.04 0.10 0.06 14 I H H 122.25 1.35 12.64 13.82 95.94 46.83 -76.08 -32.38 17.75 0.23 82.02 2.16 1.99 13.84 77.56 4.11 0.10 0.12 0.11 15 M H H 120.02 2.23 11.86 14.65 101.09 45.91 -89.26 -21.68 36.50 0.64 62.87 8.47 12.78 17.24 58.64 2.08 0.14 0.19 0.46 16 N C C 80.52 4.31 11.12 17.11 106.75 33.40 -103.45 90.94 91.11 0.39 8.50 78.89 8.37 3.02 8.61 0.76 0.00 0.15 0.21 17 P H H 77.62 4.57 11.30 17.99 94.27 -169.24 -62.79 -33.04 24.52 0.26 75.22 12.46 3.22 9.50 70.69 3.89 0.01 0.12 0.12 18 V H H 90.92 2.31 13.98 16.77 92.74 54.58 -65.22 -39.87 12.40 0.16 87.44 3.72 1.64 6.97 83.77 3.72 0.02 0.08 0.07 19 S H H 56.66 2.89 14.28 17.95 92.63 50.98 -65.83 -39.77 8.33 0.26 91.41 3.58 1.13 3.75 87.15 4.14 0.01 0.16 0.08 20 T H H 62.95 3.88 13.08 18.48 92.48 50.88 -65.17 -40.75 4.42 0.16 95.42 2.19 0.57 1.72 93.94 1.44 0.00 0.10 0.05 21 L H H 92.93 2.51 14.31 17.41 92.12 50.74 -64.98 -40.98 1.49 0.03 98.49 0.63 0.16 0.61 98.23 0.34 0.00 0.01 0.01 22 W H H 150.46 1.69 15.04 16.36 92.01 49.93 -65.20 -41.47 0.53 0.00 99.46 0.19 0.04 0.23 99.41 0.13 0.00 0.00 0.00 23 A H H 56.41 2.38 14.15 17.13 91.70 50.40 -63.91 -41.03 0.32 0.00 99.67 0.08 0.02 0.16 99.64 0.09 0.00 0.00 0.00 24 I H H 92.59 2.68 14.04 17.43 91.96 49.93 -65.07 -40.81 0.27 0.00 99.73 0.05 0.01 0.16 99.71 0.07 0.00 0.00 0.00 25 F H H 117.00 2.17 14.40 16.88 91.93 50.53 -64.45 -40.79 0.30 0.00 99.70 0.04 0.01 0.19 99.70 0.05 0.00 0.00 0.00 26 I H H 99.74 1.59 14.94 16.00 91.82 50.01 -64.74 -41.60 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 27 F H H 118.42 2.00 14.44 16.50 91.88 49.70 -65.09 -40.81 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.02 0.00 0.00 0.00 28 Q H H 99.34 2.75 13.92 17.42 91.85 50.35 -64.49 -40.69 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 29 I H H 101.42 1.93 14.74 16.63 92.00 49.88 -64.89 -41.04 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 30 F H H 122.40 1.60 15.56 16.48 92.14 49.66 -64.79 -41.54 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 31 L H H 88.61 2.42 15.12 17.76 91.90 49.43 -64.59 -41.72 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 G H H 32.63 3.61 13.73 18.81 91.50 51.09 -63.05 -41.52 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 33 L H H 96.09 1.90 15.60 17.23 91.76 50.20 -64.75 -40.74 0.13 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 34 L H H 94.52 1.79 15.63 16.95 91.90 50.17 -64.63 -41.59 0.22 0.00 99.78 0.01 0.01 0.16 99.77 0.04 0.00 0.00 0.00 35 I H H 88.61 3.02 14.43 18.13 92.01 49.58 -64.44 -41.93 0.33 0.00 99.66 0.03 0.02 0.26 99.57 0.13 0.00 0.00 0.00 36 H H H 99.58 3.45 13.61 18.21 91.91 50.38 -64.01 -41.11 0.64 0.00 99.35 0.05 0.03 0.53 99.08 0.30 0.00 0.00 0.00 37 M H H 110.68 1.51 14.42 15.53 92.00 50.19 -64.73 -41.20 0.98 0.00 99.02 0.06 0.05 0.84 98.50 0.54 0.00 0.00 0.00 38 V H H 89.59 1.72 13.62 15.30 92.40 49.35 -65.66 -40.88 2.35 0.01 97.64 0.16 0.16 2.00 96.74 0.92 0.01 0.00 0.00 39 V H H 81.34 3.32 11.43 16.19 93.12 48.54 -67.02 -38.84 7.85 0.04 92.10 0.73 0.68 6.42 90.65 1.45 0.02 0.02 0.02 40 L H H 112.27 2.18 11.18 14.35 93.82 49.86 -71.99 -26.32 26.75 0.34 72.91 4.65 3.63 19.08 69.64 2.56 0.09 0.14 0.20 41 S C H 83.51 1.45 11.04 12.88 97.97 56.27 -82.31 -11.62 55.82 1.09 43.09 18.92 8.09 29.58 39.53 2.80 0.05 0.44 0.60 42 S C C 70.87 3.32 9.55 14.38 113.07 71.68 -90.59 139.43 77.86 1.48 20.66 37.40 20.66 19.73 17.30 3.42 0.01 0.56 0.91 43 D C C 115.99 1.74 11.61 14.19 104.03 -122.74 -85.48 71.82 93.42 0.77 5.81 68.63 12.39 12.42 3.80 1.93 0.00 0.36 0.48 44 L C C 97.48 5.39 8.79 15.96 106.02 160.61 -85.97 65.30 92.54 0.91 6.55 72.50 11.37 8.74 3.66 2.66 0.00 0.41 0.66 45 N C C 92.33 3.87 10.77 16.26 104.80 83.74 -90.79 85.89 90.82 1.32 7.86 77.37 6.39 7.24 3.96 3.46 0.00 0.60 0.99 46 W C T 150.47 4.81 9.44 16.10 95.74 154.78 -70.66 -23.77 69.54 1.34 29.13 23.68 11.50 35.16 8.73 19.42 0.01 0.64 0.85 47 H C T 132.37 2.77 9.69 13.87 98.59 57.81 -86.51 -3.01 67.10 1.55 31.35 20.71 11.42 35.85 9.38 20.88 0.02 0.76 0.99 48 D C C 99.80 2.95 9.52 14.09 103.28 87.10 -83.43 18.00 66.37 1.84 31.79 31.65 15.00 20.46 8.65 22.24 0.01 0.82 1.16 49 D C C 113.32 2.25 9.92 13.55 102.94 48.65 -85.13 38.12 80.73 1.21 18.06 35.62 19.16 26.66 5.79 11.41 0.00 0.52 0.83 50 Q C C 131.14 2.67 9.51 13.83 108.06 134.89 -87.93 102.36 88.22 1.60 10.18 50.81 21.84 15.70 3.20 6.69 0.00 0.71 1.05 51 I C C 102.89 4.59 8.57 15.15 116.70 100.10 -96.83 131.26 96.35 2.26 1.39 68.20 27.34 0.99 0.86 0.47 0.00 0.88 1.26 52 P C C 90.33 3.59 10.19 15.68 112.77 -111.35 -66.29 145.47 91.59 2.72 5.68 86.10 3.61 2.37 3.67 1.58 0.00 1.39 1.29 53 V C C 109.49 3.37 8.77 14.02 113.80 -134.53 -91.56 131.47 70.86 2.48 26.66 50.32 9.89 10.38 17.31 9.54 0.00 1.34 1.21 54 G C C 51.45 3.01 9.79 14.27 113.68 22.31 -104.93 158.07 64.25 2.99 32.76 42.40 10.17 11.48 21.04 11.99 0.01 1.76 1.15 55 Y C C 165.25 2.92 8.99 13.53 108.05 -121.63 -89.52 85.80 54.28 3.72 42.00 36.60 9.27 8.57 29.01 13.06 0.03 2.30 1.16 56 Q C C 125.72 2.67 9.40 13.67 111.18 75.44 -90.77 117.71 53.88 4.25 41.88 38.59 8.29 7.46 32.37 9.32 0.03 2.69 1.25 57 L C C 114.51 3.62 8.32 13.66 107.18 -133.93 -84.98 97.88 55.65 3.99 40.37 39.80 8.27 8.04 32.17 7.97 0.02 2.48 1.26 58 Q C C 136.45 2.02 8.96 12.49 105.91 61.17 -84.39 79.72 58.86 3.41 37.73 35.14 10.34 13.97 29.56 7.72 0.05 1.96 1.25 59 G C C 56.74 2.13 9.53 13.03 105.58 18.81 -72.41 10.08 69.63 2.51 27.86 35.15 15.84 19.08 19.29 8.23 0.03 1.28 1.09 60 E C C 142.05 2.11 9.09 12.70 111.82 95.58 -88.77 127.97 79.11 3.67 17.22 52.19 17.46 9.34 11.61 5.92 0.01 2.07 1.40 61 T C C 107.84 1.89 8.64 12.14 113.39 -125.80 -89.23 130.95 81.82 6.98 11.21 63.17 11.69 6.31 8.01 3.65 0.01 4.10 3.06 62 L C C 115.94 3.15 7.52 12.75 115.74 -133.92 -91.68 132.94 90.00 5.08 4.91 73.76 14.23 1.80 4.47 0.95 0.00 3.03 1.76 63 P C C 107.13 1.88 9.56 12.88 110.74 -107.55 -69.08 140.39 84.83 4.83 10.34 72.56 8.11 3.58 9.48 1.58 0.00 3.09 1.60 64 V C C 99.65 4.05 7.65 13.65 116.69 -147.03 -95.38 138.69 79.18 4.85 15.97 62.82 12.03 3.57 15.20 1.87 0.00 2.57 1.93 65 N C C 100.50 2.74 10.09 14.23 108.11 -114.47 -79.04 119.42 77.53 2.99 19.48 69.60 4.03 3.33 18.65 1.72 0.00 1.72 0.95 66 L H H 116.02 2.53 9.50 13.65 95.68 -160.79 -66.55 -33.54 21.26 0.78 77.96 15.63 3.39 4.22 71.86 4.20 0.01 0.49 0.21 67 E H H 135.34 1.24 11.81 13.09 94.14 56.03 -67.14 -37.92 13.99 0.83 85.19 9.09 2.25 4.08 79.09 4.66 0.01 0.65 0.16 68 M H H 99.77 2.76 11.32 15.30 94.55 51.99 -67.38 -38.46 12.08 0.81 87.12 8.13 1.85 3.40 80.91 4.91 0.01 0.65 0.14 69 K H H 109.11 3.05 11.94 16.28 93.89 53.34 -66.33 -39.99 10.95 0.49 88.56 7.38 1.72 2.99 84.31 3.16 0.01 0.34 0.10 70 A H H 58.84 2.01 12.83 15.30 93.07 52.00 -64.90 -40.30 10.77 0.42 88.81 6.57 1.62 3.53 84.85 3.03 0.01 0.28 0.10 71 A H H 61.44 1.99 12.04 14.68 92.84 51.50 -65.85 -38.95 12.81 0.42 86.77 6.83 1.86 4.96 82.43 3.52 0.02 0.28 0.11 72 L H H 98.64 2.39 10.20 13.75 94.05 51.71 -67.45 -37.33 16.01 0.53 83.47 8.19 2.63 6.44 78.07 4.15 0.02 0.33 0.16 73 K H H 143.88 1.37 10.21 12.18 94.39 53.92 -67.98 -34.29 22.59 0.59 76.82 10.12 3.89 9.98 71.62 3.80 0.04 0.31 0.23 74 D H H 117.28 0.98 9.12 10.46 95.93 54.52 -74.46 -20.89 37.55 0.68 61.76 14.68 4.90 18.97 57.48 3.28 0.04 0.31 0.34 75 A C C 84.86 1.68 7.36 10.42 99.82 65.70 -79.25 -8.18 61.67 0.57 37.77 38.09 1.76 20.35 37.28 1.96 0.00 0.25 0.31 76 Q C C 135.69 2.03 9.96 13.37 103.95 86.66 -82.09 53.57 99.79 0.04 0.17 99.39 0.15 0.27 0.14 0.01 0.00 0.02 0.01