# 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 129.81 2.92 11.02 15.47 113.87 -156.37 -94.63 124.13 99.75 0.22 0.03 99.75 0.08 0.03 0.01 0.00 0.00 0.10 0.02 1 M C C 116.42 3.99 7.77 13.73 115.32 -157.78 -95.45 133.63 85.34 10.59 4.07 84.04 1.19 0.95 4.01 0.36 0.00 5.51 3.95 2 N C C 94.65 2.31 9.52 13.14 117.37 -149.95 -90.40 153.99 80.96 9.65 9.39 74.64 3.93 1.94 10.07 0.78 0.00 4.54 4.10 3 L H H 125.28 1.66 9.45 12.18 93.14 -115.78 -62.19 -36.75 6.91 0.12 92.97 3.04 1.15 2.89 91.70 1.11 0.01 0.06 0.05 4 L H H 113.39 1.17 10.95 12.16 92.55 53.28 -65.59 -38.68 2.96 0.04 97.00 0.74 0.37 1.75 95.94 1.16 0.01 0.02 0.01 5 Q H H 93.37 2.51 11.26 14.98 92.62 51.58 -65.84 -39.41 2.00 0.04 97.96 0.63 0.25 1.10 96.56 1.43 0.00 0.02 0.01 6 V H H 76.89 2.79 11.76 15.84 92.41 51.17 -64.71 -41.26 1.65 0.03 98.32 0.60 0.20 0.84 97.69 0.64 0.00 0.02 0.01 7 V H H 84.94 1.81 13.46 15.37 92.22 49.64 -64.44 -41.38 1.50 0.03 98.47 0.48 0.15 0.82 98.00 0.52 0.00 0.02 0.01 8 R H H 133.28 1.74 13.60 15.39 92.21 50.50 -64.90 -40.61 1.99 0.01 98.00 0.35 0.15 1.33 97.37 0.79 0.00 0.01 0.01 9 D H H 78.91 2.65 13.24 16.74 92.39 50.48 -65.86 -39.81 4.94 0.02 95.04 0.47 0.33 3.87 94.23 1.07 0.01 0.01 0.01 10 H H H 105.91 2.60 12.90 16.37 92.71 50.83 -66.24 -39.46 8.76 0.03 91.21 0.79 0.64 7.04 90.20 1.29 0.01 0.01 0.01 11 W H H 149.37 1.95 13.03 15.38 92.44 51.56 -65.25 -40.37 5.10 0.03 94.87 0.77 0.49 3.64 90.64 4.42 0.02 0.02 0.01 12 I H H 102.86 1.96 13.02 15.38 93.00 49.15 -66.88 -39.10 4.49 0.02 95.49 0.33 0.26 3.73 88.48 7.18 0.01 0.01 0.01 13 H H H 124.00 1.96 12.87 15.22 94.60 45.94 -73.18 -34.26 10.08 0.02 89.90 0.35 0.44 9.30 84.12 5.75 0.02 0.01 0.01 14 V H H 89.58 2.23 12.89 15.64 96.56 44.23 -76.49 -37.57 30.26 0.10 69.64 1.23 2.39 26.48 66.08 3.61 0.10 0.04 0.08 15 L H H 98.73 2.22 13.10 15.80 95.23 47.71 -72.28 -35.72 25.68 0.38 73.93 6.71 5.71 14.60 68.85 3.67 0.08 0.16 0.22 16 V H H 81.24 2.59 12.91 16.34 94.10 56.74 -65.34 -41.79 22.15 0.28 77.57 6.81 3.34 12.39 70.30 6.85 0.03 0.15 0.13 17 P H H 79.60 2.20 14.27 16.71 93.18 49.22 -65.95 -39.18 18.57 0.25 81.18 7.12 1.96 9.44 73.98 7.23 0.02 0.15 0.10 18 V H H 87.76 2.05 14.30 16.47 93.01 50.68 -66.14 -40.22 6.16 0.06 93.78 1.99 0.76 3.25 88.47 5.47 0.00 0.03 0.02 19 G H H 37.82 2.52 13.97 17.22 92.26 51.51 -64.67 -40.89 3.45 0.02 96.53 0.68 0.32 2.32 94.68 1.98 0.00 0.01 0.01 20 F H H 121.50 1.97 14.54 16.60 92.57 49.77 -65.63 -41.10 1.78 0.01 98.20 0.30 0.15 1.23 97.08 1.24 0.00 0.01 0.00 21 V H H 83.02 2.16 14.82 17.17 92.15 49.28 -64.86 -42.19 0.75 0.01 99.25 0.14 0.06 0.47 98.91 0.42 0.00 0.00 0.00 22 F H H 117.97 1.81 15.35 16.82 92.00 49.15 -65.02 -41.56 0.40 0.00 99.60 0.06 0.03 0.25 99.48 0.18 0.00 0.00 0.00 23 G H H 33.99 2.61 14.40 17.85 91.88 50.83 -63.16 -41.70 0.44 0.00 99.56 0.05 0.02 0.30 99.48 0.15 0.00 0.00 0.00 24 Y H H 123.47 2.22 14.88 17.30 91.89 49.26 -64.67 -41.64 0.43 0.00 99.57 0.04 0.02 0.31 99.47 0.15 0.00 0.00 0.00 25 Y H H 126.79 1.97 15.13 17.03 92.05 49.79 -64.26 -41.92 0.71 0.00 99.29 0.08 0.04 0.51 99.16 0.21 0.00 0.00 0.00 26 L H H 92.80 1.79 15.09 16.61 91.82 49.32 -64.92 -41.05 1.37 0.01 98.63 0.20 0.10 0.95 98.37 0.37 0.00 0.00 0.00 27 D H H 78.99 2.22 14.76 17.24 91.77 50.69 -64.74 -40.48 3.65 0.01 96.35 0.53 0.28 2.59 96.08 0.49 0.00 0.00 0.00 28 R H H 133.91 1.94 15.14 16.97 92.06 49.80 -65.48 -40.01 5.80 0.01 94.19 0.98 0.54 4.00 93.73 0.73 0.00 0.01 0.01 29 K H H 113.92 1.94 15.28 17.09 92.08 50.93 -64.76 -40.77 6.58 0.03 93.39 1.67 0.81 3.83 92.78 0.88 0.01 0.01 0.02 30 N H H 86.01 2.23 14.85 17.27 92.08 50.18 -65.10 -39.96 7.94 0.03 92.03 2.62 0.92 4.02 91.54 0.86 0.00 0.01 0.02 31 D H H 81.36 2.25 14.75 17.20 92.21 50.19 -65.46 -40.35 4.86 0.02 95.12 1.77 0.64 2.16 94.69 0.71 0.00 0.01 0.01 32 E H H 113.69 1.62 15.33 16.39 92.11 49.99 -65.25 -40.38 2.12 0.01 97.87 0.59 0.25 1.09 97.53 0.53 0.00 0.00 0.00 33 K H H 120.10 1.91 15.38 17.13 92.31 49.74 -65.12 -40.88 1.68 0.01 98.31 0.39 0.18 0.96 97.89 0.56 0.00 0.00 0.00 34 L H H 85.40 2.88 14.27 18.03 92.16 50.31 -64.73 -40.68 1.75 0.01 98.24 0.36 0.16 1.06 97.73 0.68 0.00 0.00 0.00 35 A H H 57.05 2.22 15.00 17.43 91.87 50.96 -64.04 -41.04 2.67 0.01 97.32 0.48 0.24 1.72 96.60 0.94 0.00 0.00 0.00 36 A H H 59.85 1.91 15.08 16.82 92.02 50.49 -64.69 -40.47 5.88 0.02 94.10 0.75 0.48 4.30 93.02 1.42 0.01 0.01 0.01 37 F H H 111.51 2.72 13.80 17.26 92.77 49.15 -66.86 -39.48 10.26 0.07 89.66 2.23 1.29 6.78 87.03 2.58 0.02 0.03 0.04 38 R H H 132.57 2.86 13.27 17.20 92.27 52.97 -64.92 -39.00 13.56 0.13 86.31 3.44 1.79 8.47 82.69 3.47 0.03 0.05 0.07 39 N H H 101.75 1.57 14.18 15.35 93.95 50.81 -69.57 -32.69 21.93 0.19 77.87 5.54 2.76 13.91 73.70 3.87 0.03 0.08 0.11 40 K H H 121.02 2.08 13.39 15.72 94.83 53.23 -72.15 -33.37 25.84 0.37 73.79 7.42 4.95 14.42 67.58 5.16 0.09 0.16 0.21 41 S H H 44.53 5.50 9.95 17.47 95.28 57.50 -73.26 -30.17 30.23 0.75 69.01 13.21 5.34 13.34 59.86 7.41 0.07 0.36 0.41 42 L H H 110.40 2.16 10.94 14.15 93.43 68.53 -67.61 -35.00 27.45 0.43 72.12 5.57 3.74 16.94 52.38 20.82 0.11 0.22 0.23 43 L H H 130.39 1.03 10.90 11.87 94.10 51.34 -71.89 -32.50 32.88 0.46 66.65 4.02 4.15 23.00 48.33 19.83 0.18 0.23 0.27 44 Y C T 156.02 1.98 9.61 12.59 98.99 40.76 -93.12 2.23 51.62 0.96 47.42 7.30 9.88 33.91 31.76 15.88 0.17 0.42 0.68 45 K C T 168.81 1.17 10.43 12.37 97.12 -124.42 54.41 35.47 91.11 0.92 7.97 38.75 12.30 40.81 4.18 3.02 0.00 0.47 0.47 46 R C C 133.97 3.63 8.41 14.22 120.61 149.36 -95.54 146.91 96.32 2.19 1.48 81.85 11.58 2.86 0.52 0.93 0.00 1.20 1.07 47 E C C 155.03 1.11 12.81 14.10 114.34 -111.37 -81.13 134.69 94.50 4.88 0.61 91.09 2.77 0.85 0.21 0.31 0.00 2.60 2.15 48 L C C 82.76 9.72 6.74 16.99 116.35 -122.10 -80.14 141.60 93.23 6.63 0.14 90.17 2.99 0.14 0.06 0.05 0.00 2.18 4.40 49 K C C 123.61 2.39 10.47 14.21 116.18 -114.53 -73.81 147.00 99.81 0.15 0.03 99.02 0.76 0.08 0.01 0.01 0.00 0.05 0.08 50 P C T 117.82 1.48 8.98 11.69 96.67 -106.27 -61.21 -28.04 97.45 0.11 2.44 2.73 4.76 89.63 0.13 2.62 0.00 0.06 0.06 51 Q C T 159.94 0.49 10.06 9.66 96.66 38.61 -78.66 5.99 96.78 0.11 3.11 2.86 4.79 88.72 0.20 3.32 0.00 0.06 0.04 52 E C C 98.33 5.50 6.87 14.39 116.23 127.53 -81.86 142.16 92.24 0.87 6.89 63.78 25.25 3.19 1.48 5.28 0.00 0.33 0.69 53 E C C 153.32 1.11 11.61 13.19 115.25 -120.73 -82.12 137.96 94.98 1.44 3.58 86.66 6.32 2.11 1.42 1.93 0.00 0.63 0.94 54 V C C 92.08 6.84 7.32 15.62 113.78 -118.85 -82.29 134.24 94.37 2.17 3.46 85.86 5.28 3.40 1.01 2.25 0.00 1.15 1.07 55 T C C 100.62 2.42 9.43 13.26 104.75 -163.42 -90.63 1.72 94.36 2.58 3.06 74.19 13.10 6.70 0.90 2.20 0.00 1.31 1.60 56 W C C 168.00 3.74 7.11 12.71 112.17 75.93 -95.71 120.51 96.66 1.96 1.37 88.54 4.19 3.90 0.48 0.73 0.00 0.82 1.33 57 K C C 162.90 1.34 11.78 13.75 109.67 -118.21 -81.87 128.59 99.95 0.04 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.01