# 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 G C C 47.91 3.94 11.95 17.62 120.22 30.30 -86.65 171.17 99.84 0.15 0.01 99.67 0.17 0.06 0.00 0.00 0.00 0.08 0.02 1 R C C 168.81 2.59 9.60 13.98 115.56 -93.33 -97.71 132.45 88.10 7.53 4.37 83.50 1.73 3.39 2.02 1.77 0.00 4.77 2.84 2 E C C 143.07 1.94 8.81 12.37 116.01 -150.63 -100.07 129.71 77.72 14.21 8.08 59.90 9.66 7.35 3.06 5.30 0.01 9.40 5.32 3 F C G 144.46 4.00 7.14 12.96 114.60 -141.44 -92.99 131.92 55.44 7.60 36.96 27.74 9.96 19.53 5.23 30.53 0.02 4.94 2.03 4 G C G 54.70 2.67 10.36 14.35 107.03 15.72 81.94 -13.09 55.21 4.53 40.26 17.00 11.85 27.89 5.32 33.61 0.05 3.01 1.28 5 N C C 124.63 1.51 10.66 12.85 106.45 70.72 -91.52 75.11 58.19 5.81 36.00 29.40 14.65 15.73 5.78 29.16 0.02 3.69 1.57 6 L C C 101.82 5.27 6.81 13.91 115.95 149.09 -90.51 134.29 70.57 14.10 15.33 51.12 13.62 5.89 8.33 7.33 0.03 10.22 3.46 7 T C C 99.14 2.13 8.80 12.52 117.40 -153.47 -100.58 137.80 65.49 23.05 11.46 51.43 8.38 5.08 7.02 4.66 0.02 20.96 2.45 8 R C C 179.09 1.68 7.63 11.22 115.77 -141.19 -100.00 130.88 49.61 40.46 9.93 37.54 7.42 4.81 6.20 4.19 0.05 35.92 3.87 9 M C C 127.95 2.33 6.38 10.70 118.98 -168.84 -115.30 131.95 49.78 44.42 5.80 39.15 5.90 3.41 4.46 2.14 0.03 36.85 8.05 10 R C T 197.49 0.66 7.84 8.83 109.31 -108.06 -72.45 116.66 82.14 12.03 5.83 32.20 14.19 36.45 3.52 2.11 0.02 9.97 1.54 11 H C T 174.23 0.60 8.75 9.37 97.27 -3.28 61.96 18.35 91.59 4.65 3.76 24.71 19.66 47.71 1.74 1.66 0.00 3.95 0.56 12 V C E 102.12 2.56 6.37 10.99 121.42 114.31 -112.73 135.77 55.57 41.90 2.53 32.39 14.40 10.61 1.26 1.38 0.03 36.26 3.67 13 I E E 122.61 2.37 8.28 12.54 117.48 -155.37 -105.56 128.26 41.63 57.50 0.87 34.22 5.06 1.84 0.52 0.44 0.00 55.42 2.51 14 S E E 79.26 3.14 8.67 14.19 123.05 -166.59 -117.21 138.96 41.18 58.06 0.77 35.01 3.98 1.13 0.43 0.35 0.00 57.31 1.79 15 Y E E 139.72 4.25 9.51 16.10 127.01 -173.46 -130.53 145.75 41.82 57.43 0.75 35.73 4.16 1.17 0.38 0.39 0.00 56.43 1.75 16 S C E 83.83 2.57 11.48 16.10 123.51 -154.91 -118.33 142.77 49.97 49.57 0.46 42.65 5.32 0.94 0.19 0.28 0.00 48.39 2.22 17 L C C 80.93 8.49 8.30 18.13 120.23 -145.95 -106.05 141.72 66.09 33.73 0.18 61.13 4.26 0.25 0.12 0.10 0.00 27.72 6.42 18 S C C 54.83 3.55 11.97 17.04 116.31 -107.39 -70.62 150.26 99.46 0.48 0.06 98.60 0.96 0.06 0.03 0.01 0.00 0.26 0.08 19 P H H 97.67 3.24 10.66 15.57 91.93 -114.14 -58.36 -33.24 22.97 0.12 76.91 1.90 2.02 17.06 49.00 29.86 0.03 0.06 0.06 20 F H H 154.68 1.21 11.94 13.08 92.88 56.98 -70.10 -24.21 21.27 0.16 78.57 1.71 1.81 15.62 47.79 32.84 0.06 0.09 0.09 21 E H H 89.57 5.34 10.62 17.60 96.24 51.35 -84.56 -14.52 16.83 0.43 82.74 4.30 2.57 8.83 49.21 34.67 0.04 0.24 0.15 22 Q H H 73.60 9.12 8.95 19.24 93.54 78.76 -66.09 -35.46 27.26 0.90 71.85 9.88 4.86 12.36 51.59 20.39 0.08 0.45 0.40 23 R H H 173.52 1.28 13.21 14.60 93.80 60.15 -68.40 -29.55 46.05 0.61 53.34 6.48 4.89 32.59 35.57 19.63 0.14 0.32 0.38 24 A C T 75.06 2.18 11.99 14.85 94.29 55.35 -73.77 -26.88 53.79 0.65 45.56 5.04 7.93 39.05 29.28 17.68 0.19 0.33 0.50 25 Y C C 101.30 7.27 9.54 18.26 106.22 36.48 -118.52 61.60 85.62 1.26 13.12 45.72 31.54 8.80 7.62 4.71 0.01 0.36 1.24 26 P C T 77.64 4.52 11.38 17.75 104.46 158.00 -63.12 117.54 62.62 0.43 36.96 8.35 4.31 49.37 16.95 20.45 0.02 0.20 0.35 27 H C T 126.39 3.05 12.88 16.89 96.29 34.72 -45.79 -2.57 55.00 0.22 44.77 4.16 4.34 44.89 23.90 22.36 0.04 0.10 0.21 28 V H H 75.08 5.23 11.20 18.22 93.71 88.87 -66.95 -37.57 34.96 0.63 64.41 7.81 5.48 20.26 33.76 31.96 0.07 0.31 0.36 29 F H H 119.26 4.49 11.61 17.54 95.29 46.95 -75.40 -29.60 38.73 1.63 59.64 9.61 7.16 21.16 35.22 24.92 0.26 0.84 0.84 30 T H H 82.43 3.31 12.81 17.17 98.27 46.50 -83.21 -29.69 48.64 2.35 49.00 13.24 12.38 23.49 29.86 18.19 0.35 1.15 1.36 31 K C T 135.47 2.43 13.34 16.42 99.69 42.99 -83.95 -22.13 69.22 1.10 29.68 8.27 16.28 44.56 21.25 8.12 0.14 0.48 0.89 32 G C T 36.45 4.97 12.90 19.14 103.90 39.69 -76.49 -47.71 73.07 1.00 25.93 16.08 18.96 39.07 19.55 5.18 0.06 0.38 0.72 33 I C H 89.97 4.79 12.78 18.71 100.75 32.45 -76.09 -20.76 52.75 1.00 46.25 33.09 12.83 7.16 43.22 2.79 0.01 0.34 0.55 34 P H H 73.14 3.78 13.86 18.81 94.63 58.50 -64.63 -37.10 39.14 0.67 60.19 20.15 5.43 14.08 56.69 2.99 0.03 0.30 0.33 35 N H H 76.83 4.81 13.45 19.66 94.74 50.18 -68.71 -30.64 30.25 0.52 69.23 13.77 4.49 13.02 65.26 2.92 0.04 0.24 0.26 36 V H H 73.00 4.17 13.93 19.39 92.89 59.11 -65.10 -40.26 9.89 0.19 89.92 4.17 1.68 4.40 87.83 1.75 0.02 0.09 0.07 37 L H H 87.45 2.87 14.76 18.15 91.98 50.99 -64.59 -41.41 3.01 0.06 96.93 1.09 0.47 1.46 95.98 0.95 0.01 0.03 0.01 38 R H H 120.35 2.72 14.76 18.06 92.19 49.77 -65.28 -40.66 1.58 0.03 98.39 0.51 0.20 0.83 97.65 0.79 0.00 0.02 0.00 39 R H H 114.24 3.68 13.68 18.60 91.93 50.33 -64.70 -40.66 1.47 0.02 98.50 0.37 0.16 0.87 97.74 0.83 0.00 0.01 0.01 40 I H H 89.64 3.53 13.56 18.08 92.30 48.75 -65.49 -40.55 1.64 0.02 98.34 0.28 0.16 1.08 97.63 0.82 0.01 0.01 0.00 41 R H H 145.36 2.06 14.73 16.71 92.45 49.12 -66.91 -38.22 2.96 0.01 97.03 0.23 0.19 2.37 95.96 1.24 0.01 0.00 0.00 42 E H H 113.38 2.37 14.30 16.99 94.51 45.24 -75.53 -29.71 16.63 0.02 83.35 0.30 0.54 16.50 80.79 1.84 0.02 0.00 0.01 43 S H H 47.95 5.39 11.50 18.75 100.37 42.14 -96.01 -11.91 40.99 0.04 58.97 1.12 1.29 38.05 57.27 2.23 0.01 0.01 0.03 44 F H H 112.15 4.49 11.51 17.64 93.01 84.26 -62.69 -40.07 6.50 0.03 93.47 1.15 0.68 4.15 79.16 14.83 0.01 0.02 0.01 45 F H H 144.60 1.77 13.87 15.49 92.42 52.61 -67.13 -34.54 2.92 0.01 97.07 0.15 0.13 2.34 75.44 21.93 0.00 0.01 0.00 46 R H H 146.45 2.18 13.90 16.50 94.47 48.65 -75.88 -31.70 3.82 0.01 96.17 0.14 0.16 3.24 73.75 22.70 0.00 0.01 0.00 47 V H H 69.62 5.55 12.23 19.35 97.28 44.02 -83.83 -25.60 7.11 0.02 92.87 0.22 0.42 6.46 84.87 7.99 0.02 0.01 0.01 48 V H H 73.16 3.99 13.25 18.69 92.64 67.11 -61.53 -43.07 3.10 0.00 96.89 0.99 0.58 1.19 96.76 0.48 0.00 0.00 0.00 49 P H H 75.51 2.27 15.23 17.45 91.78 50.52 -63.74 -40.46 0.93 0.00 99.06 0.20 0.06 0.52 98.79 0.43 0.00 0.00 0.00 50 Q H H 92.52 3.15 15.10 18.95 92.10 50.17 -64.95 -39.96 0.30 0.00 99.70 0.04 0.02 0.19 99.37 0.39 0.00 0.00 0.00 51 F H H 104.30 4.12 14.60 19.61 92.20 50.28 -65.27 -40.53 0.14 0.00 99.86 0.01 0.01 0.09 99.75 0.14 0.00 0.00 0.00 52 V H H 82.30 2.60 15.44 18.18 91.84 50.28 -64.23 -41.92 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 53 V H H 84.12 2.06 15.82 17.59 91.74 49.81 -64.07 -41.90 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 54 F H H 105.21 3.26 15.16 19.05 91.83 49.75 -64.36 -41.52 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 55 Y H H 116.18 3.47 15.11 19.26 91.75 49.89 -64.20 -41.62 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 56 L H H 90.94 2.41 15.79 18.20 91.70 49.99 -64.19 -41.83 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 57 I H H 94.06 2.31 15.98 18.19 91.74 49.30 -64.30 -42.20 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 58 Y H H 118.10 3.42 15.63 19.51 92.11 48.25 -65.24 -41.55 0.22 0.00 99.78 0.01 0.01 0.17 99.77 0.04 0.00 0.00 0.00 59 T H H 67.22 3.20 16.06 19.73 92.06 49.08 -65.13 -41.55 0.78 0.00 99.22 0.06 0.04 0.61 99.22 0.07 0.00 0.00 0.00 60 W H H 133.80 2.26 16.76 18.71 91.75 49.39 -64.41 -41.32 1.05 0.00 98.95 0.09 0.07 0.80 98.92 0.13 0.00 0.00 0.00 61 G H H 30.26 3.64 15.23 20.08 91.72 50.75 -63.50 -41.78 1.28 0.00 98.72 0.19 0.11 0.85 98.69 0.15 0.00 0.00 0.00 62 T H H 68.76 3.29 16.19 19.97 91.98 48.99 -65.29 -40.98 0.88 0.00 99.12 0.15 0.08 0.53 99.10 0.12 0.00 0.00 0.00 63 E H H 100.95 2.50 16.65 19.10 92.02 49.77 -64.55 -41.11 0.63 0.00 99.37 0.08 0.04 0.40 99.34 0.13 0.00 0.00 0.00 64 E H H 96.32 2.65 15.96 18.90 91.94 50.53 -63.90 -41.74 0.68 0.00 99.32 0.07 0.04 0.45 99.26 0.17 0.00 0.00 0.00 65 F H H 98.79 3.22 14.33 18.52 92.11 49.72 -64.94 -40.57 1.33 0.00 98.66 0.15 0.09 0.91 98.52 0.34 0.00 0.00 0.00 66 E H H 98.48 2.77 14.01 17.58 91.89 51.01 -64.74 -40.74 2.67 0.01 97.33 0.30 0.21 1.89 96.97 0.63 0.00 0.00 0.00 67 R H H 141.13 2.01 13.53 15.84 92.23 50.00 -66.89 -37.89 6.11 0.02 93.87 0.59 0.53 4.68 93.09 1.08 0.01 0.01 0.01 68 S H H 68.52 2.47 11.94 15.38 93.45 51.10 -71.19 -31.44 21.14 0.09 78.77 2.03 2.00 16.89 76.99 1.95 0.04 0.03 0.06 69 K H H 145.02 1.73 11.84 14.13 97.34 49.94 -81.30 -13.15 48.57 0.40 51.03 6.52 6.56 35.35 47.88 3.21 0.06 0.15 0.27 70 R C T 140.11 3.61 9.28 14.65 106.88 79.81 -84.67 77.83 68.51 1.26 30.23 24.29 15.61 29.39 25.66 3.78 0.03 0.44 0.80 71 K C C 151.21 1.91 11.12 13.77 100.45 90.12 -78.39 -21.78 86.61 1.42 11.97 37.88 32.61 16.17 9.14 2.65 0.00 0.47 1.08 72 N C C 85.98 3.66 10.90 16.23 109.16 30.73 -115.80 92.90 98.65 0.27 1.08 87.60 9.93 1.15 0.77 0.24 0.00 0.09 0.22 73 P H G 75.18 5.50 9.30 17.09 94.21 -169.52 -62.41 -32.46 29.15 0.29 70.57 12.47 3.14 12.35 26.51 45.26 0.00 0.17 0.11 74 A H G 71.91 1.71 12.49 14.56 92.76 58.95 -65.36 -34.37 17.38 0.13 82.49 2.74 1.76 11.27 28.91 55.20 0.00 0.08 0.04 75 A H G 60.72 2.46 11.64 15.23 92.79 55.05 -66.83 -32.91 14.44 0.16 85.39 3.06 1.78 8.36 30.67 55.97 0.00 0.10 0.04 76 Y H G 109.02 5.22 8.91 15.89 96.65 50.80 -81.89 -17.34 28.07 0.58 71.35 9.00 4.80 13.29 31.98 40.35 0.02 0.29 0.27 77 E C T 124.71 2.51 9.90 13.85 95.09 70.35 -67.83 -28.79 53.93 0.66 45.41 7.45 6.32 37.83 26.61 20.85 0.09 0.32 0.53 78 N C T 123.92 1.26 9.85 11.57 97.60 50.54 -85.42 5.01 65.47 0.39 34.14 9.46 6.91 48.30 17.42 17.40 0.02 0.18 0.31 79 D C C 96.29 3.99 6.99 12.80 105.21 108.53 -81.25 85.81 84.62 0.63 14.75 71.29 2.41 12.61 7.21 5.75 0.00 0.30 0.43 80 K C C 156.62 1.74 11.20 14.14 109.19 110.10 -91.86 110.37 99.90 0.07 0.03 99.79 0.10 0.05 0.01 0.00 0.00 0.03 0.01