# 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 7.71 11.17 20.19 115.28 -157.85 -96.47 129.38 99.83 0.15 0.02 99.75 0.13 0.03 0.01 0.00 0.00 0.05 0.04 1 L C C 86.97 4.89 10.05 16.67 111.93 -126.76 -81.19 129.35 88.40 0.43 11.17 86.52 0.64 0.79 11.50 0.20 0.00 0.12 0.24 2 P H H 97.40 1.85 11.04 13.74 93.80 -124.96 -60.98 -36.06 14.14 0.09 85.77 5.56 1.69 6.84 84.61 1.21 0.01 0.04 0.04 3 L H H 109.34 1.76 11.71 14.00 92.59 52.88 -66.25 -38.19 5.43 0.04 94.53 1.58 0.67 3.08 93.30 1.34 0.00 0.02 0.02 4 A H H 45.55 4.94 10.95 17.85 92.50 51.48 -66.02 -40.44 1.50 0.02 98.49 0.62 0.19 0.64 97.49 1.05 0.00 0.01 0.00 5 K H H 116.81 2.63 14.10 17.56 92.03 51.61 -64.83 -40.53 0.97 0.01 99.02 0.36 0.12 0.45 98.44 0.62 0.00 0.01 0.00 6 N H H 89.60 1.89 15.02 16.71 92.42 50.60 -65.38 -40.30 1.20 0.01 98.78 0.33 0.12 0.68 98.23 0.63 0.00 0.01 0.00 7 A H H 49.52 3.79 13.49 18.78 92.17 51.35 -64.12 -41.00 2.06 0.01 97.92 0.39 0.18 1.32 97.24 0.85 0.00 0.01 0.00 8 L H H 85.15 4.11 13.57 19.03 92.36 50.62 -65.97 -38.94 5.94 0.03 94.03 0.85 0.51 4.24 92.87 1.49 0.01 0.01 0.01 9 S H H 67.99 2.38 14.15 16.96 93.22 52.51 -68.70 -32.70 22.75 0.11 77.14 3.02 1.95 17.27 75.26 2.36 0.03 0.05 0.06 10 R H H 151.52 1.99 13.29 15.70 95.14 54.09 -74.93 -27.49 36.17 0.40 63.43 8.76 5.81 22.07 59.17 3.74 0.06 0.17 0.23 11 L H H 91.77 4.70 10.89 17.22 98.25 62.52 -75.16 -27.62 42.54 0.86 56.60 22.85 8.88 11.64 51.10 4.73 0.02 0.39 0.39 12 Q H H 125.51 2.09 13.16 15.88 97.55 58.27 -71.94 -29.81 46.07 0.97 52.96 29.40 5.94 10.76 48.57 4.43 0.01 0.49 0.41 13 V H H 89.40 3.52 11.85 16.51 98.50 56.23 -74.59 -31.21 40.84 0.90 58.26 25.41 6.73 9.21 53.92 3.94 0.01 0.42 0.36 14 R H H 139.08 3.37 12.30 16.92 98.25 55.42 -73.55 -29.87 38.77 0.58 60.65 24.52 5.22 8.23 58.98 2.55 0.01 0.25 0.25 15 S H H 58.69 3.73 12.82 17.79 97.82 57.62 -69.44 -37.99 25.06 0.33 74.61 16.52 3.56 5.10 72.94 1.62 0.00 0.13 0.13 16 I H H 99.75 2.64 13.45 16.75 94.28 51.90 -66.17 -39.63 3.85 0.04 96.11 2.12 0.52 1.13 95.55 0.65 0.00 0.02 0.01 17 Q H H 107.61 2.18 14.07 16.65 93.38 51.86 -66.19 -40.00 1.51 0.02 98.47 0.70 0.18 0.61 97.99 0.51 0.00 0.01 0.00 18 Q H H 99.72 2.65 14.08 17.42 93.01 50.68 -66.22 -40.20 1.28 0.02 98.70 0.51 0.15 0.59 98.25 0.49 0.00 0.01 0.00 19 V H H 74.50 2.92 14.29 18.02 92.49 50.51 -65.02 -41.84 1.30 0.03 98.67 0.52 0.15 0.59 98.36 0.36 0.00 0.02 0.01 20 V H H 80.05 2.26 14.75 17.27 92.38 50.30 -65.11 -41.25 1.49 0.02 98.49 0.49 0.15 0.72 98.27 0.35 0.00 0.01 0.00 21 A H H 54.98 2.66 13.56 17.14 92.20 50.81 -64.81 -40.43 2.55 0.02 97.43 0.58 0.24 1.48 97.00 0.67 0.00 0.01 0.00 22 R H H 136.01 2.20 13.40 16.14 92.48 51.33 -66.58 -38.63 5.37 0.03 94.60 0.96 0.54 3.55 93.74 1.19 0.01 0.01 0.01 23 Q H H 110.63 1.98 12.76 15.21 93.70 52.10 -68.49 -35.42 10.32 0.05 89.63 1.94 1.22 6.89 88.07 1.81 0.02 0.02 0.03 24 S H H 70.78 2.14 11.57 14.53 94.47 55.07 -71.73 -29.68 23.33 0.13 76.54 5.67 3.34 14.42 73.88 2.54 0.02 0.05 0.08 25 H H H 134.56 2.18 9.89 13.23 98.19 58.42 -80.62 -11.22 40.59 0.35 59.06 15.11 6.71 19.85 53.73 4.21 0.03 0.14 0.23 26 Q C H 123.48 2.68 9.01 13.36 103.72 81.82 -82.16 8.09 52.63 0.65 46.71 26.13 9.38 18.43 40.05 5.33 0.02 0.26 0.40 27 K C C 161.27 1.27 9.81 11.76 101.34 95.79 -84.35 0.38 68.01 0.85 31.14 33.77 15.54 18.99 26.02 4.81 0.01 0.31 0.56 28 R C C 170.61 1.80 8.86 12.13 113.52 64.75 -95.74 128.65 81.47 1.39 17.14 48.99 19.02 13.43 13.16 3.85 0.00 0.52 1.04 29 A C C 76.70 3.11 9.32 14.32 117.64 -130.96 -90.57 142.22 97.47 0.78 1.75 68.07 28.11 1.26 1.37 0.40 0.00 0.27 0.53 30 P C C 83.68 4.54 9.17 15.66 114.13 -104.40 -68.31 149.90 96.33 0.60 3.07 84.68 8.91 2.78 2.24 0.74 0.00 0.25 0.40 31 S C C 63.09 3.01 11.10 15.37 116.63 -119.93 -81.96 159.06 93.23 1.39 5.38 84.32 6.19 2.32 4.70 0.82 0.00 0.40 1.25 32 F H H 143.32 2.51 10.28 14.20 92.81 -110.91 -60.69 -37.15 12.50 0.11 87.38 4.16 2.77 6.27 82.25 4.39 0.04 0.05 0.07 33 H H H 129.10 2.09 11.73 14.65 92.69 53.12 -66.08 -38.55 7.26 0.05 92.69 1.33 1.03 4.81 87.21 5.54 0.02 0.03 0.02 34 D H H 86.49 2.72 12.69 16.31 93.05 49.28 -66.93 -39.16 4.75 0.06 95.19 1.21 0.70 2.78 88.63 6.61 0.01 0.04 0.02 35 K H H 123.70 2.28 13.79 16.57 93.76 47.68 -68.72 -38.43 6.08 0.06 93.87 1.02 0.82 4.13 89.57 4.38 0.02 0.03 0.02 36 Y H H 126.48 3.22 13.97 17.97 96.32 42.75 -79.17 -31.56 14.93 0.13 84.94 2.28 2.15 10.76 81.92 2.70 0.06 0.05 0.08 37 G H H 29.26 5.27 13.12 20.12 94.51 58.31 -65.21 -41.76 15.60 0.11 84.29 5.76 2.30 7.29 83.21 1.31 0.01 0.04 0.06 38 N H H 92.69 2.79 15.57 18.79 93.00 49.28 -66.02 -39.12 5.15 0.05 94.80 1.55 0.79 2.72 93.86 1.04 0.01 0.02 0.02 39 A H H 62.42 2.48 16.23 18.79 92.39 51.14 -65.54 -40.87 2.50 0.05 97.45 0.70 0.35 1.40 96.49 1.01 0.01 0.03 0.01 40 I H H 89.70 4.00 15.22 20.08 92.57 49.00 -65.40 -42.08 1.95 0.08 97.98 0.59 0.28 1.09 96.89 1.07 0.01 0.04 0.02 41 L H H 94.79 3.36 15.59 19.81 92.40 49.39 -64.86 -41.14 2.82 0.06 97.12 0.63 0.33 1.80 96.01 1.17 0.01 0.03 0.02 42 A H H 64.95 2.10 16.61 18.43 92.18 48.96 -65.53 -40.14 6.67 0.05 93.29 0.77 0.64 5.14 92.34 1.05 0.02 0.02 0.02 43 G H H 36.24 3.30 15.70 19.73 92.89 49.97 -66.71 -38.38 13.78 0.05 86.17 1.65 1.33 10.48 85.50 0.96 0.02 0.02 0.03 44 G H H 31.13 5.40 14.96 21.76 93.22 53.43 -64.55 -41.35 8.50 0.03 91.46 1.28 0.95 6.04 90.68 1.02 0.01 0.01 0.02 45 A H H 58.77 3.50 16.23 20.38 92.46 50.53 -64.90 -41.14 3.38 0.02 96.60 0.59 0.35 2.22 95.96 0.85 0.00 0.01 0.00 46 I H H 99.97 2.42 16.86 19.17 92.54 49.23 -65.67 -41.24 1.40 0.02 98.58 0.26 0.13 0.89 97.99 0.70 0.00 0.01 0.00 47 F H H 117.06 2.99 16.37 19.71 92.62 48.96 -65.42 -41.58 1.10 0.02 98.88 0.19 0.09 0.74 98.41 0.56 0.00 0.01 0.00 48 C H H 67.84 3.68 15.99 20.44 92.51 48.83 -65.59 -41.44 1.61 0.02 98.38 0.19 0.10 1.24 98.03 0.42 0.00 0.01 0.01 49 V H H 80.87 2.87 16.64 19.74 92.25 49.05 -65.03 -41.77 0.81 0.00 99.18 0.09 0.06 0.58 99.10 0.15 0.00 0.00 0.00 50 S H H 54.95 2.98 16.21 19.68 91.99 50.22 -64.26 -41.81 0.67 0.00 99.32 0.09 0.05 0.46 99.29 0.11 0.00 0.00 0.00 51 T H H 70.60 3.10 16.53 20.00 92.13 49.13 -64.75 -41.95 0.45 0.00 99.55 0.04 0.02 0.34 99.52 0.08 0.00 0.00 0.00 52 W H H 136.20 3.34 16.52 20.43 92.24 49.56 -64.73 -41.45 0.20 0.00 99.80 0.02 0.01 0.14 99.77 0.07 0.00 0.00 0.00 53 T H H 68.20 3.71 15.85 20.39 91.86 50.28 -64.50 -41.88 0.15 0.00 99.85 0.01 0.00 0.10 99.82 0.06 0.00 0.00 0.00 54 Y H H 126.29 2.42 16.45 18.87 92.17 49.57 -64.80 -42.14 0.22 0.00 99.78 0.01 0.01 0.16 99.74 0.07 0.00 0.00 0.00 55 T H H 66.75 3.09 15.61 19.29 92.17 49.13 -64.80 -41.77 0.50 0.00 99.49 0.04 0.02 0.39 99.45 0.10 0.00 0.00 0.00 56 A H H 44.61 4.21 12.70 18.81 92.00 50.07 -64.46 -41.10 1.13 0.01 98.86 0.12 0.07 0.83 98.59 0.37 0.00 0.00 0.00 57 T H H 78.09 2.91 12.39 16.43 92.66 49.29 -66.22 -39.45 3.38 0.02 96.60 0.24 0.19 2.84 95.07 1.63 0.01 0.01 0.01 58 Q H H 134.79 1.35 12.11 13.70 92.20 52.61 -67.91 -28.59 11.19 0.03 88.78 0.36 0.48 10.67 87.05 1.39 0.02 0.01 0.02 59 I C T 118.85 1.86 10.94 13.42 95.00 48.65 -90.09 -2.39 54.04 0.14 45.83 1.00 2.81 49.36 44.75 1.89 0.03 0.05 0.11 60 G C T 62.10 0.88 11.99 12.71 96.52 -111.69 79.10 14.39 99.15 0.12 0.73 12.48 3.34 83.56 0.37 0.16 0.00 0.07 0.03 61 I C C 93.07 4.89 7.70 14.78 116.22 143.89 -93.70 131.76 93.30 5.85 0.84 89.79 3.13 0.78 0.37 0.34 0.00 4.07 1.53 62 E C C 143.78 1.77 12.15 15.07 116.33 -151.16 -100.13 133.70 85.75 12.19 2.05 77.86 5.14 2.50 0.88 1.10 0.00 9.31 3.22 63 W C C 146.75 7.11 9.35 17.77 115.46 -152.69 -98.09 131.30 79.57 15.04 5.38 55.18 14.63 9.91 1.47 4.08 0.03 10.78 3.94 64 N C C 102.59 4.11 11.01 16.68 110.69 -161.03 -94.16 117.59 86.59 9.49 3.91 57.04 17.90 11.81 0.76 3.50 0.01 6.59 2.40 65 M C C 127.63 3.60 10.45 15.69 101.99 -156.30 -86.17 -2.88 89.70 6.63 3.67 41.14 36.90 11.94 0.79 2.94 0.01 3.65 2.64 66 S C C 56.11 5.12 9.31 16.32 116.68 90.77 -98.36 134.08 92.17 6.59 1.24 47.38 42.01 2.81 0.46 0.74 0.00 2.59 4.01 67 P C T 94.14 3.13 10.52 15.16 102.35 -124.09 -65.77 40.25 78.93 2.73 18.35 24.80 18.35 36.60 2.96 14.52 0.01 1.34 1.41 68 V C T 109.91 2.84 9.34 13.60 102.46 61.25 -74.19 11.20 80.60 1.80 17.61 9.40 12.29 58.36 2.95 14.87 0.01 0.98 1.13 69 G C T 54.46 2.88 10.71 14.78 99.13 28.10 50.63 -0.04 79.02 2.60 18.38 19.30 15.10 44.72 2.97 15.24 0.01 1.41 1.24 70 R C C 154.61 2.71 9.98 14.34 105.11 95.93 -88.67 37.65 84.10 6.49 9.41 51.07 22.26 10.54 2.88 6.44 0.01 3.06 3.75 71 V C C 99.34 3.76 9.41 14.84 114.84 102.88 -97.37 130.48 85.79 12.11 2.10 63.08 19.92 2.20 1.16 0.96 0.00 4.52 8.16 72 T C C 83.78 4.29 9.95 16.20 117.07 -153.69 -100.11 134.30 96.52 3.00 0.47 87.22 9.15 0.43 0.31 0.16 0.00 1.79 0.94 73 P C C 75.32 5.36 9.26 16.63 112.00 -111.14 -66.64 147.03 91.56 2.33 6.10 82.99 5.65 3.09 3.93 1.92 0.00 1.31 1.12 74 K C C 142.21 2.41 9.95 13.72 102.38 -121.67 -74.29 -24.33 60.75 0.91 38.34 37.71 11.50 11.97 21.11 16.75 0.01 0.40 0.54 75 E H C 131.55 1.77 9.86 12.51 100.55 50.45 -72.26 -23.69 49.26 1.17 49.57 27.04 8.82 13.59 24.91 24.50 0.01 0.59 0.55 76 W H G 152.77 3.77 7.59 13.06 97.38 61.44 -73.40 -21.24 40.95 1.14 57.90 22.98 6.56 11.60 26.68 31.08 0.01 0.59 0.49 77 R H H 156.31 2.58 7.79 11.99 98.83 63.96 -75.63 -19.09 48.68 1.21 50.11 23.70 9.18 16.07 26.39 23.43 0.02 0.55 0.65 78 D C C 115.86 1.44 8.11 10.72 101.65 66.65 -82.79 12.51 68.20 0.64 31.15 47.84 3.05 19.45 16.12 12.80 0.00 0.33 0.41 79 Q C C 131.91 2.48 9.78 13.79 104.37 109.68 -84.51 55.89 99.64 0.03 0.33 98.90 0.30 0.51 0.23 0.03 0.00 0.01 0.01