# 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 122.92 4.55 11.05 17.17 116.07 -167.67 -96.79 135.58 99.86 0.13 0.01 99.79 0.11 0.03 0.00 0.00 0.00 0.06 0.02 1 S C C 83.17 2.95 9.07 13.89 115.19 -140.08 -92.73 142.15 94.57 3.97 1.47 90.30 1.52 3.08 0.56 0.61 0.00 2.13 1.81 2 G C C 53.18 2.93 8.28 12.92 114.77 -129.24 -98.57 165.47 90.41 5.05 4.54 53.85 21.14 15.53 1.21 3.26 0.00 2.61 2.40 3 S C C 94.28 1.41 8.81 11.25 103.62 -87.13 -87.12 15.07 87.91 4.28 7.80 40.52 27.03 20.93 1.83 5.61 0.00 2.06 2.01 4 T C C 103.23 2.32 8.21 12.01 105.78 83.55 -90.90 37.85 86.21 2.84 10.95 32.31 26.85 27.85 2.76 7.46 0.00 1.30 1.46 5 G C C 52.22 2.82 9.81 14.17 109.03 -112.31 55.74 4.51 87.12 2.93 9.95 35.25 30.73 22.04 2.57 6.60 0.00 1.40 1.42 6 E C C 143.98 1.96 10.24 13.46 110.53 -50.37 -90.09 117.75 83.49 7.22 9.29 48.53 25.62 9.97 3.83 4.99 0.02 3.65 3.40 7 R C C 121.20 6.43 8.80 16.89 118.16 -147.32 -96.64 139.34 89.80 7.08 3.13 60.67 27.86 1.62 2.31 0.97 0.00 3.69 2.88 8 S C C 56.91 3.38 12.46 17.23 116.33 -110.33 -72.32 156.37 82.68 14.60 2.72 80.85 1.99 0.45 2.53 0.31 0.00 4.68 9.19 9 F H H 143.70 2.92 11.71 16.22 92.56 -112.39 -59.70 -36.45 2.80 0.03 97.17 0.86 0.49 1.44 96.41 0.78 0.00 0.01 0.01 10 A H H 63.75 2.86 13.29 17.09 91.89 54.04 -64.59 -39.42 0.96 0.01 99.03 0.18 0.09 0.59 98.31 0.82 0.00 0.00 0.00 11 D H H 74.67 4.05 13.82 19.15 92.37 50.82 -66.21 -39.34 0.42 0.00 99.57 0.10 0.04 0.24 98.58 1.04 0.00 0.00 0.00 12 I H H 84.91 3.77 14.11 19.10 92.51 50.58 -65.25 -41.63 0.61 0.01 99.38 0.13 0.05 0.37 98.77 0.67 0.00 0.01 0.00 13 I H H 91.11 2.79 15.57 18.75 92.51 48.84 -65.76 -41.49 1.88 0.11 98.01 0.36 0.20 1.28 97.64 0.41 0.01 0.07 0.02 14 T H H 62.56 3.90 14.82 19.93 92.65 49.48 -65.81 -41.25 7.43 0.16 92.41 1.52 0.98 4.59 92.38 0.39 0.01 0.07 0.06 15 S H H 52.03 3.86 14.77 19.89 92.48 51.47 -64.56 -40.93 11.20 0.20 88.60 3.91 1.42 4.94 89.16 0.40 0.01 0.09 0.07 16 I H H 94.15 2.38 15.90 18.31 92.19 49.61 -65.26 -41.32 2.78 0.06 97.16 1.13 0.38 1.16 97.04 0.24 0.00 0.03 0.02 17 R H H 128.15 2.84 15.60 18.94 92.24 50.13 -65.23 -40.95 1.22 0.05 98.73 0.43 0.12 0.64 98.55 0.21 0.00 0.03 0.01 18 Y H H 115.14 4.03 14.52 19.64 92.23 50.19 -65.12 -41.33 0.60 0.04 99.36 0.18 0.06 0.33 99.24 0.15 0.00 0.03 0.01 19 W H H 141.79 2.54 15.06 18.10 92.17 50.66 -64.61 -41.41 0.36 0.02 99.62 0.09 0.03 0.21 99.53 0.11 0.00 0.02 0.00 20 I H H 93.61 2.31 15.44 17.88 92.16 48.94 -64.94 -42.03 0.44 0.02 99.54 0.07 0.03 0.29 99.46 0.12 0.00 0.02 0.00 21 I H H 85.03 3.59 14.59 19.10 92.63 47.98 -65.73 -41.51 0.93 0.04 99.03 0.16 0.08 0.63 98.84 0.23 0.00 0.03 0.01 22 H H H 102.14 4.18 13.77 19.23 92.80 48.71 -66.81 -37.80 2.76 0.03 97.22 0.36 0.22 2.09 96.64 0.66 0.01 0.01 0.01 23 S H H 67.56 2.73 14.45 17.79 94.00 50.29 -72.20 -34.20 10.63 0.03 89.34 0.68 0.65 9.32 87.70 1.62 0.02 0.01 0.02 24 I H H 104.87 2.44 14.70 17.41 100.43 40.04 -89.22 -34.50 32.37 0.11 67.52 1.49 2.23 28.50 65.40 2.19 0.06 0.04 0.08 25 T H H 66.56 4.89 13.72 19.89 100.86 39.55 -89.50 -30.70 33.57 0.20 66.23 4.28 3.29 25.86 63.94 2.37 0.05 0.07 0.14 26 I H H 82.55 4.70 13.69 19.82 94.21 60.64 -65.40 -42.76 14.01 0.09 85.90 5.85 3.20 4.99 84.49 1.39 0.01 0.03 0.05 27 P H H 72.54 3.06 15.48 19.23 92.80 50.84 -64.61 -39.60 8.87 0.07 91.06 4.31 0.98 3.39 89.62 1.62 0.01 0.04 0.03 28 S H H 57.25 3.38 15.63 19.74 92.65 51.32 -65.73 -39.53 2.55 0.04 97.41 1.01 0.33 1.23 95.69 1.70 0.00 0.03 0.01 29 L H H 84.67 4.63 15.06 20.66 92.54 50.53 -65.82 -40.55 1.40 0.05 98.56 0.41 0.17 0.82 97.40 1.14 0.01 0.03 0.01 30 F H H 111.26 4.20 15.66 20.57 92.60 49.52 -65.76 -41.12 1.99 0.16 97.85 0.48 0.24 1.33 96.81 0.95 0.03 0.13 0.03 31 I H H 94.21 2.53 16.77 19.35 92.23 49.00 -65.10 -41.60 1.98 0.13 97.89 0.45 0.23 1.29 97.37 0.53 0.02 0.09 0.02 32 A H H 53.45 3.34 16.22 20.33 91.81 50.80 -63.95 -40.92 2.85 0.05 97.10 0.45 0.24 2.12 96.38 0.75 0.02 0.03 0.01 33 G H H 28.60 5.90 14.59 22.04 91.97 51.23 -64.35 -40.44 4.32 0.04 95.65 0.51 0.30 3.39 94.65 1.09 0.02 0.02 0.01 34 W H H 133.62 3.89 15.89 20.55 92.11 51.14 -65.13 -40.90 2.61 0.06 97.33 0.45 0.27 1.88 95.23 2.08 0.03 0.04 0.01 35 L H H 93.52 2.57 16.28 19.03 92.24 50.43 -65.60 -40.65 3.54 0.14 96.32 0.62 0.40 2.63 93.72 2.45 0.06 0.10 0.03 36 F H H 107.40 3.79 15.13 19.80 92.95 47.49 -67.46 -39.44 7.31 0.41 92.27 1.46 1.01 5.29 89.14 2.60 0.13 0.26 0.11 37 V H H 73.03 5.78 13.61 20.61 94.08 50.32 -68.96 -39.05 16.53 1.11 82.36 4.34 3.06 10.38 78.57 2.37 0.26 0.62 0.40 38 S H H 69.08 3.29 14.10 18.21 95.72 54.77 -73.59 -28.61 32.05 0.93 67.02 7.18 5.30 20.32 63.68 2.47 0.19 0.46 0.40 39 T C T 80.18 3.29 13.84 17.79 97.78 50.35 -84.39 -13.74 59.19 0.67 40.13 5.31 10.36 42.18 38.58 2.75 0.13 0.27 0.43 40 G C H 42.35 5.14 13.05 19.63 97.03 -111.84 65.30 -4.53 57.92 0.74 41.35 9.32 11.74 36.17 38.70 3.25 0.09 0.29 0.44 41 L H H 91.84 3.19 14.14 18.29 94.97 89.40 -69.73 -37.67 25.44 0.54 74.02 10.24 4.64 11.84 66.73 5.93 0.08 0.29 0.24 42 A H H 41.34 6.09 12.35 20.40 93.75 54.17 -66.48 -38.91 14.75 0.60 84.65 5.93 2.44 7.25 76.32 7.34 0.10 0.43 0.18 43 Y H H 112.91 5.16 12.33 19.04 93.80 52.68 -67.08 -38.43 8.04 0.53 91.43 2.66 1.43 4.51 81.68 9.08 0.10 0.41 0.12 44 D H H 100.14 2.32 12.93 16.10 93.86 53.49 -69.94 -32.12 8.78 0.40 90.82 2.47 1.33 5.33 82.07 8.31 0.10 0.30 0.10 45 V H H 106.35 2.13 12.18 14.91 97.28 48.93 -77.40 -32.55 15.13 0.41 84.45 2.52 2.29 10.96 77.82 5.81 0.20 0.23 0.18 46 F H H 144.70 2.48 10.71 14.25 101.98 39.40 -97.19 -3.39 33.56 1.09 65.35 5.70 7.63 22.40 59.87 2.94 0.37 0.42 0.67 47 G C C 50.93 2.82 11.42 15.57 110.59 -113.66 81.52 52.60 94.64 1.09 4.27 39.33 20.01 35.66 2.95 1.05 0.00 0.51 0.48 48 S C C 71.06 3.85 10.31 16.01 120.05 -30.02 -95.05 145.57 98.27 1.58 0.15 65.42 32.41 0.70 0.05 0.09 0.00 0.70 0.64 49 P C C 91.05 4.52 10.58 16.79 113.73 -102.97 -69.10 146.35 97.64 2.15 0.21 80.89 15.70 0.92 0.07 0.14 0.00 0.88 1.40 50 R C C 139.82 4.67 9.70 16.29 116.18 -124.58 -91.87 135.27 98.62 1.16 0.23 90.58 7.62 0.39 0.09 0.11 0.00 0.43 0.79 51 P C C 92.22 4.40 9.91 16.03 101.71 -113.84 -65.16 -10.23 69.95 1.17 28.88 40.14 8.73 20.28 5.53 24.16 0.00 0.61 0.55 52 N C G 119.58 2.70 10.36 14.36 101.98 52.01 -87.18 15.04 61.75 1.43 36.82 22.49 12.39 27.31 7.90 28.50 0.01 0.75 0.67 53 E C G 125.74 3.26 10.62 15.54 111.53 99.62 -93.25 115.00 53.91 4.04 42.05 26.16 12.78 16.23 9.30 31.76 0.02 2.47 1.27 54 Y C C 135.22 5.37 9.67 16.71 114.52 76.69 -100.86 125.36 63.62 9.40 26.99 39.58 13.50 10.82 11.07 15.95 0.05 5.64 3.40 55 F C C 113.65 6.10 8.42 16.22 116.42 -138.02 -101.53 130.79 79.70 10.69 9.61 60.16 13.75 4.71 6.46 3.66 0.01 6.36 4.90 56 T C C 82.86 3.32 10.05 15.01 115.97 -163.15 -100.34 148.09 86.19 5.15 8.65 67.90 13.35 4.45 6.13 2.85 0.00 3.30 2.02 57 E C T 142.17 2.22 9.58 13.16 101.22 -116.83 -76.39 -28.31 60.61 1.76 37.63 20.65 18.74 22.19 17.65 18.85 0.05 0.85 1.01 58 T C T 105.15 1.66 9.46 12.04 103.60 55.43 -80.27 5.56 61.50 1.52 36.98 23.05 14.33 24.67 16.21 20.07 0.03 0.73 0.92 59 R C C 147.57 4.09 7.94 13.67 104.85 66.48 -88.81 58.27 60.14 2.90 36.97 31.20 11.89 17.74 15.34 20.86 0.02 1.46 1.49 60 Q C C 131.32 2.48 9.24 13.20 105.90 109.81 -87.34 65.24 76.03 2.27 21.70 35.35 14.29 27.21 11.99 8.88 0.01 1.16 1.10 61 G C C 54.96 1.98 11.41 14.23 112.13 -32.92 103.72 173.91 89.97 3.14 6.89 38.23 22.40 30.29 2.62 3.55 0.00 2.07 0.84 62 I C C 110.61 3.80 8.93 14.66 116.92 -40.68 -97.22 131.96 90.03 7.94 2.03 67.63 21.52 1.27 1.47 0.68 0.00 5.17 2.27 63 P C C 88.25 4.08 10.41 16.32 113.01 -111.51 -68.88 145.02 76.43 19.26 4.30 72.06 2.61 1.36 3.42 1.13 0.00 13.32 6.10 64 L C C 118.46 3.30 9.74 14.91 112.62 -132.06 -88.59 130.87 67.70 18.95 13.35 47.87 13.52 5.71 10.12 4.08 0.09 12.80 5.80 65 I C C 110.23 4.34 8.68 14.83 111.48 -145.38 -93.57 116.21 56.90 21.40 21.71 40.02 10.06 6.24 16.57 5.90 0.12 15.75 5.35 66 T C H 92.43 3.21 9.89 14.80 111.10 -170.78 -95.09 117.42 48.21 9.80 41.99 25.59 9.74 13.66 29.29 12.04 0.26 7.16 2.26 67 G C H 52.54 2.45 11.95 15.26 102.25 15.12 42.87 -13.83 49.17 2.90 47.94 16.83 10.98 22.13 31.41 15.52 0.27 1.69 1.15 68 R H H 151.62 2.98 11.03 15.33 97.98 80.53 -74.37 -24.78 43.00 2.14 54.86 16.81 9.41 17.50 38.31 15.71 0.15 1.20 0.91 69 F H H 113.34 5.55 9.99 17.15 104.11 62.48 -87.83 15.61 43.48 2.80 53.71 21.45 11.06 13.04 42.18 9.47 0.13 1.43 1.24 70 D C H 82.86 3.75 12.99 17.93 103.73 79.76 -81.18 44.33 55.23 0.94 43.83 42.12 7.03 5.22 42.55 2.31 0.00 0.40 0.37 71 S H H 58.64 4.25 12.30 17.93 96.17 63.27 -66.08 -38.89 11.66 0.15 88.19 6.80 1.95 3.18 86.51 1.44 0.01 0.07 0.05 72 L H H 97.87 2.72 13.28 16.84 93.40 51.74 -66.21 -39.76 2.72 0.03 97.25 0.99 0.39 1.29 96.23 1.08 0.00 0.02 0.01 73 E H H 109.07 1.92 14.30 16.26 92.39 51.32 -65.43 -40.21 1.62 0.03 98.35 0.64 0.21 0.76 97.39 0.98 0.00 0.01 0.00 74 Q H H 92.71 2.67 13.75 17.21 92.10 51.02 -65.08 -40.63 1.32 0.02 98.65 0.50 0.16 0.64 98.02 0.67 0.00 0.01 0.00 75 L H H 84.57 2.88 12.95 16.96 91.94 50.38 -64.38 -40.84 1.10 0.02 98.88 0.39 0.12 0.53 98.50 0.44 0.00 0.01 0.00 76 D H H 82.62 1.92 13.60 15.78 91.81 51.06 -64.48 -40.00 1.55 0.02 98.44 0.46 0.14 0.82 98.06 0.49 0.00 0.01 0.00 77 E H H 110.70 1.56 13.15 14.66 91.88 50.73 -64.82 -40.06 2.61 0.02 97.37 0.56 0.24 1.66 96.60 0.92 0.00 0.01 0.00 78 F H H 121.69 2.00 11.27 14.11 92.30 50.05 -66.42 -38.65 4.64 0.03 95.34 0.86 0.45 3.07 94.32 1.27 0.00 0.01 0.01 79 S H H 69.46 2.35 9.97 13.59 93.95 53.73 -69.84 -31.64 14.77 0.08 85.15 2.78 1.54 10.14 83.54 1.90 0.02 0.03 0.05 80 R H H 172.73 1.15 9.84 11.47 95.30 58.16 -73.08 -25.75 42.97 0.26 56.77 5.82 4.46 32.26 53.97 3.19 0.04 0.10 0.16 81 S C T 88.70 1.21 8.88 10.78 99.79 56.76 -83.40 -7.29 66.78 0.24 32.98 25.40 2.25 37.83 31.53 2.73 0.00 0.10 0.17 82 F C C 140.65 3.38 8.71 13.74 104.37 79.14 -85.43 41.64 99.93 0.03 0.04 99.80 0.08 0.08 0.02 0.00 0.00 0.01 0.00