# 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 117.00 5.28 9.82 16.82 116.50 -147.82 -93.63 133.91 99.93 0.05 0.02 99.79 0.12 0.04 0.01 0.00 0.00 0.02 0.01 1 P C C 98.91 2.97 9.18 14.00 113.13 -112.50 -72.24 146.67 97.57 0.76 1.67 87.93 1.06 9.07 0.54 0.68 0.00 0.40 0.33 2 R C C 189.90 1.06 9.30 11.11 106.71 -130.04 -82.94 102.16 95.83 2.26 1.91 56.16 25.95 13.59 0.60 1.26 0.00 1.00 1.44 3 L C C 95.24 5.60 6.74 14.04 117.26 -115.39 -93.85 138.28 96.57 1.92 1.52 54.85 40.54 1.21 1.06 0.37 0.00 0.63 1.35 4 P C C 75.70 2.68 10.38 14.63 114.01 -108.13 -66.62 147.80 96.26 0.34 3.40 93.84 1.85 0.83 2.89 0.29 0.00 0.12 0.18 5 P H H 104.08 2.01 9.75 13.23 92.90 -117.95 -60.10 -35.92 23.83 0.27 75.89 6.84 3.69 13.50 63.81 11.83 0.05 0.14 0.14 6 I H H 121.48 1.16 11.27 12.42 92.67 55.12 -66.08 -34.76 17.08 0.32 82.60 3.92 2.41 10.54 68.57 14.16 0.09 0.19 0.12 7 L H H 78.14 4.27 10.26 16.37 93.12 51.30 -69.42 -35.90 8.78 0.34 90.88 3.53 1.47 3.86 73.78 17.03 0.02 0.23 0.08 8 R H H 126.83 4.42 10.97 17.06 93.05 55.49 -65.71 -37.46 8.80 0.48 90.73 3.63 1.46 4.07 77.74 12.64 0.03 0.32 0.12 9 L H H 111.91 1.61 12.50 14.30 93.20 52.52 -66.56 -37.29 10.92 0.49 88.60 3.29 1.69 6.09 75.77 12.64 0.06 0.32 0.13 10 L H H 112.55 1.83 12.15 14.47 94.51 51.27 -72.16 -30.42 17.93 0.58 81.50 4.63 2.92 10.88 70.63 10.22 0.14 0.35 0.22 11 Q H H 100.49 4.56 10.97 17.00 97.02 53.96 -76.21 -26.94 28.08 0.61 71.31 8.53 5.81 15.39 61.87 7.64 0.13 0.30 0.33 12 A H H 62.94 3.81 10.33 15.82 96.28 68.17 -67.29 -39.51 34.20 0.86 64.95 14.01 6.94 13.40 45.39 19.34 0.08 0.46 0.38 13 P H H 99.14 1.90 11.50 14.08 96.43 53.12 -71.43 -21.16 36.83 1.18 61.98 16.59 5.57 14.28 40.70 21.65 0.05 0.72 0.44 14 A H H 74.08 3.12 9.72 14.38 98.30 59.92 -76.17 -14.85 38.57 1.90 59.53 18.27 7.24 13.21 36.62 22.77 0.10 1.08 0.72 15 K C C 147.23 2.39 9.43 13.42 102.46 72.52 -79.43 6.23 54.40 3.89 41.71 28.75 10.92 15.37 27.03 14.11 0.11 2.17 1.52 16 F C C 157.40 2.06 8.93 12.49 104.32 76.95 -89.73 20.80 66.13 6.60 27.26 39.61 12.55 13.94 17.65 9.89 0.08 4.13 2.14 17 T C C 101.89 2.29 8.75 12.71 114.13 91.76 -92.38 125.08 77.41 7.84 14.76 52.30 15.16 9.54 9.67 5.62 0.02 5.45 2.24 18 V C C 119.76 1.76 8.90 12.20 111.08 -145.25 -90.66 121.64 82.11 11.07 6.81 60.20 16.52 4.91 4.71 2.53 0.01 7.45 3.67 19 V C C 106.24 3.09 8.10 13.25 116.21 -158.76 -104.45 125.63 88.89 10.04 1.06 65.59 22.87 1.01 0.69 0.42 0.00 6.55 2.86 20 P C C 97.51 3.06 8.57 13.75 114.19 -115.01 -67.63 144.64 88.66 8.70 2.64 81.63 4.79 2.23 1.21 1.24 0.00 6.35 2.55 21 K C C 165.80 1.45 9.03 11.47 106.86 -141.76 -88.21 68.18 86.42 4.95 8.63 60.56 16.55 9.02 2.76 5.94 0.00 2.64 2.52 22 A C C 79.95 3.10 7.87 12.83 116.03 10.31 -91.84 140.02 86.42 3.76 9.82 51.53 21.80 12.99 2.33 7.71 0.00 2.14 1.52 23 H C C 161.11 1.19 10.01 12.00 109.36 -144.24 -98.79 113.58 84.63 7.13 8.24 60.38 14.47 9.53 2.20 6.36 0.00 4.73 2.33 24 V C C 107.42 3.41 7.22 12.83 115.02 -161.77 -100.25 128.34 82.26 12.45 5.30 63.10 11.81 6.67 1.99 3.40 0.00 8.59 4.44 25 S C C 84.84 1.94 8.83 12.38 120.29 -166.72 -112.61 138.78 83.29 12.76 3.95 61.02 13.83 7.86 1.49 2.57 0.00 8.21 5.02 26 A C C 89.17 2.34 7.91 12.12 106.52 -164.51 -99.72 29.75 89.92 8.11 1.98 49.81 35.75 4.98 0.62 1.32 0.00 4.65 2.87 27 K C C 154.76 1.30 10.26 12.43 118.93 104.38 -102.55 140.65 95.86 3.86 0.27 50.58 45.20 0.76 0.09 0.15 0.00 1.95 1.28 28 P C C 103.33 2.49 9.59 14.01 115.64 -97.11 -66.56 149.34 97.80 1.59 0.62 90.16 6.04 1.62 0.17 0.41 0.00 0.86 0.74 29 A C C 64.66 6.42 7.27 15.34 112.97 -103.59 -67.14 144.50 97.30 1.66 1.05 92.57 2.99 1.86 0.30 0.57 0.00 0.74 0.98 30 K C C 174.79 0.80 10.79 11.37 97.93 -144.79 -80.12 -17.37 98.36 1.19 0.45 48.32 48.13 2.06 0.12 0.27 0.00 0.48 0.62 31 T C S 97.74 1.72 10.50 13.35 121.52 50.65 -113.68 138.71 97.77 2.09 0.14 21.23 76.54 0.59 0.04 0.06 0.00 0.94 0.60 32 P C C 111.47 2.04 11.41 15.06 113.48 -104.98 -67.70 143.68 95.58 4.11 0.31 91.53 3.83 0.45 0.15 0.11 0.00 1.91 2.01 33 T C C 63.71 9.89 6.48 16.86 116.95 -119.70 -86.69 143.89 94.72 4.41 0.88 91.50 2.64 0.41 0.71 0.15 0.00 1.46 3.13 34 S C C 65.00 1.74 13.75 15.34 119.41 -114.94 -76.96 162.50 96.46 1.49 2.05 93.72 2.27 0.44 2.04 0.16 0.00 0.48 0.89 35 A H H 85.37 2.03 10.93 14.37 91.74 -103.41 -58.68 -37.25 1.70 0.00 98.29 0.38 0.26 0.85 98.17 0.33 0.00 0.00 0.00 36 V H H 107.41 1.10 13.26 13.74 91.80 52.39 -64.64 -39.78 0.79 0.00 99.21 0.16 0.08 0.44 99.03 0.29 0.00 0.00 0.00 37 E H H 93.28 4.10 13.06 18.58 92.06 49.51 -66.08 -39.63 0.23 0.00 99.77 0.05 0.02 0.12 99.61 0.20 0.00 0.00 0.00 38 Q H H 83.49 5.90 13.33 20.79 91.99 50.84 -64.50 -41.25 0.13 0.00 99.86 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 39 A H H 61.02 2.46 16.12 18.63 91.72 50.10 -64.46 -41.57 0.19 0.00 99.81 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 40 V H H 85.52 2.24 17.13 18.99 92.19 49.16 -65.02 -42.14 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 41 G H H 29.00 4.95 15.23 21.79 91.55 50.42 -63.78 -42.07 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 42 I H H 89.03 3.73 17.06 21.43 92.01 49.33 -64.94 -41.51 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 43 S H H 58.46 2.82 16.99 19.97 91.67 50.32 -64.28 -41.58 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 44 A H H 59.08 2.87 16.92 19.94 91.95 49.96 -65.00 -41.69 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 45 I H H 90.95 3.65 16.64 20.82 92.11 49.06 -65.57 -41.81 0.19 0.00 99.81 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 46 V H H 77.21 3.61 16.18 20.49 92.09 49.83 -65.31 -41.71 0.46 0.00 99.54 0.02 0.02 0.38 99.40 0.19 0.00 0.00 0.00 47 V H H 85.68 2.49 16.38 18.87 92.13 50.04 -65.43 -40.53 0.78 0.00 99.22 0.03 0.03 0.68 98.25 1.01 0.00 0.00 0.00 48 G H H 39.23 3.15 15.01 18.90 92.46 51.09 -66.24 -38.37 4.95 0.01 95.04 0.10 0.13 5.12 91.72 2.92 0.01 0.00 0.00 49 F H H 124.27 3.36 15.27 19.21 95.16 44.83 -76.19 -32.95 20.51 0.02 79.47 0.29 0.59 20.99 75.19 2.87 0.03 0.01 0.02 50 M H H 105.88 3.54 15.04 19.30 95.34 48.79 -74.95 -33.92 27.22 0.27 72.52 2.63 4.70 20.66 69.03 2.50 0.18 0.09 0.21 51 V H H 85.59 2.48 15.88 18.50 93.68 54.51 -65.26 -43.28 24.54 0.37 75.08 7.22 5.82 12.41 70.53 3.59 0.06 0.16 0.20 52 P H H 71.34 3.38 15.81 19.89 92.94 48.89 -65.06 -39.99 18.24 0.22 81.55 7.43 2.08 8.92 77.82 3.52 0.02 0.11 0.10 53 A H H 49.41 5.13 14.71 21.27 92.48 51.11 -65.05 -39.68 7.89 0.12 91.99 2.89 1.10 4.08 88.08 3.73 0.02 0.07 0.04 54 G H H 35.93 2.95 15.56 19.23 91.96 52.30 -63.91 -40.96 4.12 0.07 95.82 1.26 0.57 2.29 93.66 2.15 0.01 0.04 0.02 55 W H H 137.84 2.53 15.78 18.53 92.41 49.94 -65.41 -41.19 1.94 0.04 98.02 0.45 0.23 1.24 96.11 1.93 0.01 0.02 0.01 56 V H H 71.10 4.89 13.62 19.94 92.28 49.58 -64.74 -41.82 1.42 0.03 98.56 0.23 0.13 0.99 96.81 1.81 0.01 0.02 0.00 57 L H H 101.13 2.71 14.12 17.55 92.05 49.99 -66.58 -36.62 2.40 0.01 97.59 0.19 0.15 1.96 95.11 2.58 0.01 0.01 0.00 58 A H H 72.89 1.82 13.94 15.84 92.41 53.92 -70.13 -28.23 20.42 0.03 79.55 0.45 0.82 19.86 75.94 2.87 0.04 0.01 0.02 59 H C T 102.01 4.12 12.07 17.76 100.00 42.65 -104.85 4.19 65.32 0.07 34.61 4.10 2.10 57.39 33.64 2.69 0.00 0.02 0.06 60 L H H 78.93 5.86 10.31 18.35 93.04 101.89 -59.77 -41.65 5.31 0.03 94.66 1.54 0.68 2.90 84.80 10.04 0.00 0.02 0.01 61 E H H 132.14 1.08 13.96 14.27 91.88 52.16 -64.73 -38.89 3.38 0.02 96.60 0.42 0.27 2.34 84.66 12.30 0.00 0.01 0.00 62 S H H 65.71 1.98 12.79 15.16 92.93 50.29 -68.30 -37.19 3.51 0.02 96.46 0.48 0.31 2.35 84.60 12.23 0.00 0.01 0.01 63 Y H H 120.42 4.24 10.10 16.00 93.87 50.88 -70.72 -33.44 8.55 0.11 91.35 2.12 1.40 5.04 83.27 8.05 0.02 0.06 0.04 64 K H H 137.65 1.90 11.04 13.83 95.42 56.56 -75.85 -20.30 32.22 1.01 66.77 11.43 6.90 16.24 61.14 3.21 0.11 0.43 0.55 65 K C H 145.89 1.60 10.41 12.74 102.27 66.56 -81.67 -1.75 54.06 1.00 44.94 22.72 14.24 17.36 42.41 2.31 0.04 0.37 0.55 66 S C C 79.80 2.72 8.29 12.70 104.90 85.49 -82.28 57.73 66.15 1.20 32.64 35.21 16.79 14.45 28.69 3.71 0.02 0.47 0.65 67 S C C 87.02 1.88 8.50 11.78 105.44 77.67 -84.16 63.13 75.20 1.32 23.48 47.39 11.25 16.14 19.40 4.49 0.00 0.61 0.71 68 A C C 88.64 1.86 7.75 11.15 105.46 92.59 -84.67 50.35 85.36 1.08 13.56 71.38 2.28 12.33 10.44 2.42 0.00 0.55 0.61 69 A C C 82.45 2.67 9.63 13.89 107.68 94.44 -85.66 87.92 99.84 0.08 0.09 99.55 0.17 0.18 0.05 0.01 0.00 0.04 0.01