# 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 R C C 121.34 6.85 11.36 19.69 117.85 -149.04 -92.43 135.98 99.96 0.04 0.00 99.71 0.26 0.01 0.00 0.00 0.00 0.01 0.01 1 P C C 74.81 3.62 11.29 16.52 112.95 -108.91 -66.64 151.29 78.42 1.77 19.81 74.58 0.84 2.47 19.83 0.63 0.00 0.51 1.15 2 F H H 152.97 1.98 10.19 13.39 93.82 -109.96 -62.49 -35.66 9.55 0.06 90.39 2.83 1.59 5.27 87.66 2.58 0.01 0.02 0.03 3 S H H 68.68 2.23 11.30 14.47 92.51 54.40 -65.89 -37.09 4.11 0.03 95.86 1.19 0.56 2.25 92.98 2.98 0.00 0.02 0.01 4 D H H 80.71 3.11 11.97 16.34 92.95 51.91 -66.16 -38.83 1.86 0.03 98.11 0.75 0.25 0.87 94.93 3.18 0.00 0.02 0.01 5 I H H 95.29 2.43 13.12 16.28 92.51 50.63 -65.34 -41.19 1.87 0.05 98.07 0.60 0.24 1.01 96.35 1.75 0.00 0.04 0.01 6 I H H 93.78 2.36 14.51 17.13 92.56 49.11 -65.88 -41.29 3.74 0.19 96.07 1.29 0.54 1.95 95.02 1.01 0.01 0.12 0.05 7 T H H 62.89 3.87 14.09 19.23 92.69 49.94 -66.09 -40.80 11.00 0.35 88.65 3.92 1.56 5.16 88.30 0.76 0.01 0.17 0.12 8 S H H 53.67 3.63 14.35 19.16 92.42 52.48 -64.80 -40.88 13.51 0.33 86.16 6.01 1.98 4.72 86.56 0.48 0.00 0.14 0.10 9 V H H 85.07 2.05 15.80 17.57 92.18 50.16 -65.11 -41.42 3.08 0.06 96.86 1.36 0.43 1.13 96.81 0.22 0.00 0.03 0.01 10 R H H 130.15 2.62 15.50 18.54 92.20 50.63 -65.29 -40.77 1.18 0.03 98.79 0.42 0.11 0.59 98.68 0.17 0.00 0.02 0.00 11 Y H H 111.49 4.43 14.42 20.09 92.24 50.31 -65.07 -41.14 0.47 0.02 99.51 0.14 0.04 0.26 99.44 0.10 0.00 0.01 0.00 12 W H H 140.43 2.63 15.32 18.45 92.08 50.73 -64.50 -41.61 0.24 0.01 99.74 0.06 0.02 0.14 99.70 0.07 0.00 0.01 0.00 13 I H H 93.24 2.27 15.83 18.11 92.08 48.89 -64.68 -42.20 0.26 0.01 99.73 0.04 0.02 0.18 99.69 0.07 0.00 0.01 0.00 14 I H H 82.13 4.02 14.92 20.05 92.25 48.25 -65.37 -41.78 0.55 0.01 99.44 0.09 0.04 0.38 99.34 0.14 0.00 0.01 0.00 15 H H H 99.92 4.81 14.16 20.29 92.47 49.24 -66.38 -38.56 1.58 0.01 98.42 0.12 0.08 1.29 98.16 0.34 0.00 0.00 0.00 16 S H H 67.57 2.75 15.23 18.43 94.79 48.45 -73.79 -35.87 7.83 0.01 92.16 0.23 0.32 7.44 91.18 0.81 0.01 0.00 0.00 17 I H H 102.89 2.52 15.37 18.08 101.46 36.42 -91.37 -37.14 36.63 0.03 63.33 0.49 1.43 34.50 62.22 1.29 0.03 0.01 0.03 18 T H H 62.97 5.51 14.50 21.26 99.72 39.21 -86.82 -31.95 29.75 0.04 70.21 1.48 1.78 25.80 69.31 1.56 0.02 0.01 0.04 19 I H H 75.06 6.15 14.30 21.89 93.24 58.58 -63.03 -43.55 4.43 0.01 95.56 1.37 0.82 2.02 94.98 0.79 0.00 0.00 0.00 20 P H H 71.00 3.34 16.40 20.46 92.08 50.00 -64.23 -40.19 2.38 0.01 97.61 0.76 0.21 1.26 96.82 0.94 0.00 0.00 0.00 21 S H H 55.97 3.58 16.56 20.81 92.36 50.83 -65.44 -40.01 0.57 0.00 99.43 0.11 0.04 0.34 98.46 1.04 0.00 0.00 0.00 22 L H H 77.55 6.00 15.73 22.85 92.37 50.51 -65.33 -40.94 0.51 0.00 99.49 0.07 0.03 0.34 98.89 0.67 0.00 0.00 0.00 23 F H H 105.54 5.25 16.63 22.69 92.51 49.10 -65.75 -41.34 1.33 0.02 98.65 0.15 0.09 1.00 98.22 0.51 0.01 0.01 0.01 24 V H H 81.02 2.77 17.98 20.70 92.00 49.16 -64.86 -41.84 1.57 0.02 98.41 0.23 0.14 1.09 98.26 0.27 0.00 0.01 0.01 25 S H H 53.09 3.76 17.45 21.91 91.95 50.72 -64.25 -40.64 2.70 0.01 97.29 0.32 0.19 2.02 96.92 0.54 0.01 0.00 0.00 26 G H H 24.01 7.98 14.91 24.53 91.99 51.47 -64.64 -40.28 4.25 0.01 95.73 0.37 0.25 3.43 95.02 0.91 0.01 0.01 0.01 27 W H H 128.22 4.56 16.83 22.25 92.03 51.52 -64.51 -41.19 2.53 0.03 97.44 0.34 0.23 1.91 95.85 1.64 0.02 0.01 0.01 28 L H H 91.59 2.61 17.50 20.06 92.06 50.58 -65.18 -40.89 3.21 0.08 96.71 0.42 0.34 2.50 94.80 1.83 0.04 0.05 0.02 29 F H H 90.33 5.33 15.33 22.00 92.72 48.68 -66.22 -41.06 6.17 0.29 93.54 1.25 0.93 4.41 90.60 2.45 0.12 0.16 0.09 30 I H H 72.86 7.86 13.76 22.87 92.89 50.23 -65.95 -40.18 9.79 0.49 89.72 2.02 1.45 6.98 85.37 3.47 0.24 0.30 0.18 31 S H H 72.66 3.10 15.17 18.89 92.90 52.54 -68.40 -30.19 18.88 0.28 80.84 2.12 2.03 15.22 77.47 2.74 0.14 0.15 0.14 32 T C T 80.71 3.09 14.65 18.23 96.35 49.19 -87.64 -10.01 64.15 0.31 35.54 2.31 6.10 54.16 34.36 2.66 0.06 0.12 0.24 33 G C T 39.70 6.35 13.20 21.10 96.50 -114.41 75.71 4.84 79.56 0.37 20.08 7.57 8.77 61.42 19.68 2.15 0.01 0.15 0.24 34 L H H 85.17 3.93 14.83 19.99 94.99 117.30 -70.66 -34.68 33.67 0.50 65.83 17.80 5.26 11.68 58.23 6.50 0.02 0.24 0.26 35 A H H 36.74 7.56 12.88 22.31 94.20 55.76 -67.06 -37.22 19.07 0.60 80.33 6.90 3.37 9.83 70.45 8.74 0.11 0.37 0.25 36 Y H H 103.78 6.23 12.75 20.53 94.05 54.97 -68.29 -37.07 9.62 0.48 89.90 3.07 1.80 5.33 79.18 10.01 0.12 0.32 0.15 37 D H H 98.30 2.64 13.32 16.89 94.50 54.98 -69.60 -34.41 9.47 0.36 90.17 2.47 1.50 5.74 80.62 9.19 0.12 0.24 0.11 38 V H H 105.43 2.38 12.45 15.60 96.96 47.68 -75.22 -34.76 15.29 0.34 84.37 1.96 2.25 11.35 76.72 7.09 0.28 0.18 0.17 39 F H H 139.45 2.76 11.12 14.95 101.23 36.70 -97.11 -4.47 28.65 0.50 70.85 3.00 5.64 21.37 65.95 3.17 0.32 0.18 0.37 40 G C T 52.93 2.35 12.53 15.85 106.53 -110.38 81.81 11.14 98.30 0.62 1.08 34.61 29.14 34.72 0.42 0.53 0.00 0.29 0.29 41 T C C 81.57 4.54 10.96 17.28 121.65 47.61 -106.50 141.46 98.79 1.14 0.07 63.19 35.44 0.38 0.02 0.04 0.00 0.45 0.48 42 P C C 77.46 6.17 11.31 19.12 114.21 -105.66 -67.81 148.68 98.32 1.57 0.11 86.11 11.68 0.36 0.04 0.06 0.00 0.51 1.24 43 R C C 121.40 5.99 11.41 19.12 113.44 -115.42 -84.98 129.69 99.46 0.41 0.12 96.21 3.09 0.15 0.05 0.04 0.00 0.12 0.34 44 P H G 83.94 6.16 10.76 18.57 96.83 -129.08 -63.08 -25.94 36.44 0.43 63.13 13.19 4.68 17.71 10.36 53.64 0.00 0.24 0.18 45 N H G 118.05 2.73 11.70 15.58 97.46 58.65 -80.80 0.11 32.45 0.38 67.17 6.06 4.38 20.66 12.79 55.73 0.00 0.22 0.15 46 E H G 121.67 3.47 12.03 16.91 101.69 77.70 -85.08 10.38 30.22 0.83 68.96 9.69 6.23 14.62 12.33 56.34 0.01 0.48 0.30 47 Y C C 115.96 7.15 10.43 18.92 107.08 71.98 -98.57 40.53 56.74 4.75 38.50 28.30 14.73 15.27 12.62 24.05 0.09 2.27 2.67 48 F C C 91.84 8.29 8.56 18.30 118.28 77.89 -105.53 132.04 87.87 8.03 4.10 63.94 20.40 2.40 2.75 1.45 0.00 3.01 6.04 49 T C C 72.89 3.46 11.07 16.07 119.85 -152.40 -98.13 160.42 93.31 3.09 3.60 79.74 10.81 2.51 2.52 1.18 0.00 1.58 1.67 50 Q C T 140.09 1.78 10.15 13.07 95.54 -104.85 -62.50 -33.14 57.84 0.80 41.36 9.56 14.19 33.78 19.48 21.88 0.06 0.37 0.67 51 D C T 118.62 1.05 10.59 11.66 96.14 53.19 -77.30 -12.42 58.48 0.58 40.93 9.59 11.30 36.79 19.15 22.37 0.04 0.27 0.50 52 R C G 126.31 5.65 8.53 15.65 100.33 59.79 -87.10 3.41 52.00 2.16 45.83 21.29 11.08 20.22 20.08 25.03 0.06 1.02 1.22 53 Q C C 115.27 4.27 9.79 15.75 98.77 94.66 -76.41 -15.45 66.75 2.23 31.01 35.95 12.84 18.07 18.95 11.92 0.02 1.15 1.10 54 Q C C 137.87 1.61 12.38 14.45 102.29 67.10 -87.55 7.83 74.78 4.06 21.17 39.72 15.63 20.09 11.22 9.35 0.02 2.59 1.39 55 V C C 82.17 5.92 9.02 16.76 116.24 98.26 -95.52 131.47 92.04 3.90 4.06 57.08 33.79 1.45 3.33 0.83 0.00 2.46 1.05 56 P C C 80.02 4.98 11.61 18.31 112.26 -112.70 -67.86 145.53 83.35 10.78 5.87 79.82 2.33 1.41 4.89 1.14 0.00 6.67 3.73 57 L C C 112.75 4.08 10.92 16.68 111.43 -138.09 -87.39 128.48 68.10 16.87 15.03 52.13 11.17 4.37 12.63 3.37 0.05 9.44 6.83 58 V C C 87.20 6.01 8.85 16.42 113.24 -141.73 -93.32 125.32 54.55 16.57 28.89 41.16 8.26 5.36 23.83 5.52 0.09 11.91 3.87 59 N C H 109.87 2.77 11.53 15.64 108.36 -163.78 -90.56 -1.86 51.79 5.86 42.35 31.60 10.52 10.49 34.74 7.10 0.07 4.16 1.32 60 D C H 93.87 2.88 12.72 16.41 108.87 6.83 -82.70 101.13 48.90 2.22 48.88 28.04 8.99 12.84 40.86 7.18 0.03 1.34 0.73 61 R H H 131.76 6.00 10.91 18.33 94.76 -116.61 -67.44 -33.42 27.32 0.81 71.87 11.93 5.73 10.74 63.56 7.20 0.06 0.46 0.31 62 F H H 126.47 2.54 13.50 16.62 93.87 55.06 -68.83 -36.80 24.64 0.71 74.64 10.01 5.24 10.53 67.93 5.57 0.06 0.39 0.28 63 S H H 55.48 2.81 14.81 18.14 94.11 52.37 -68.05 -36.31 27.01 0.47 72.52 17.08 4.18 6.20 69.30 2.84 0.01 0.21 0.18 64 A H H 38.45 6.67 11.74 20.53 92.81 57.51 -63.67 -40.80 5.81 0.06 94.12 3.11 0.91 1.91 92.97 1.06 0.00 0.03 0.02 65 K H H 115.51 3.22 15.01 19.09 92.46 51.35 -64.94 -40.66 2.00 0.02 97.98 0.79 0.26 0.90 97.33 0.70 0.00 0.01 0.00 66 Q H H 104.84 1.55 16.00 16.67 92.16 50.29 -65.31 -40.67 1.43 0.02 98.55 0.55 0.17 0.68 97.94 0.65 0.00 0.01 0.00 67 E H H 95.18 2.97 14.61 18.37 92.19 50.65 -64.97 -40.79 1.15 0.02 98.83 0.44 0.13 0.54 98.44 0.44 0.00 0.01 0.00 68 L H H 74.84 4.36 12.60 18.63 91.99 50.31 -64.44 -41.04 0.99 0.01 99.00 0.35 0.10 0.47 98.68 0.38 0.00 0.01 0.00 69 E H H 111.37 1.76 13.68 15.56 91.79 50.93 -64.49 -40.17 1.37 0.01 98.62 0.36 0.12 0.76 98.29 0.46 0.00 0.00 0.00 70 D H H 94.51 1.40 12.91 14.17 92.31 50.70 -65.84 -38.35 3.33 0.02 96.65 0.60 0.27 2.20 96.08 0.83 0.00 0.01 0.00 71 L H H 102.63 2.66 10.57 14.51 93.44 51.46 -68.17 -35.53 7.29 0.03 92.68 1.15 0.67 4.98 92.21 0.96 0.00 0.01 0.01 72 T H H 98.14 2.07 9.84 13.04 96.15 51.81 -78.15 -19.33 23.45 0.19 76.36 4.98 2.90 14.75 76.21 0.98 0.02 0.06 0.11 73 K C H 154.09 1.36 9.29 11.55 100.35 64.50 -81.35 -6.57 58.76 0.33 40.90 28.01 2.70 25.05 42.95 0.97 0.00 0.10 0.22 74 G C C 53.47 2.50 11.42 15.33 109.73 -94.77 67.30 150.29 99.96 0.02 0.03 99.61 0.15 0.21 0.02 0.00 0.00 0.01 0.00