# 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 95.05 9.07 15.67 25.42 114.99 -156.13 -93.91 129.35 99.80 0.19 0.01 99.75 0.09 0.04 0.00 0.00 0.00 0.09 0.02 1 L C C 101.31 6.92 15.64 23.60 113.56 -140.99 -92.09 126.22 89.14 10.53 0.34 87.30 1.90 0.63 0.16 0.12 0.00 5.75 4.14 2 V C C 30.55 17.46 9.43 26.22 119.52 -143.36 -97.09 136.17 93.78 6.15 0.07 71.93 22.68 0.14 0.04 0.03 0.00 3.73 1.45 3 P C C 67.70 3.44 16.99 21.02 115.19 -105.77 -64.70 151.13 98.04 1.81 0.15 98.14 0.43 0.06 0.10 0.01 0.00 0.87 0.39 4 T H H 90.63 5.44 12.63 19.98 91.76 -111.56 -57.71 -38.63 2.35 0.00 97.64 0.53 0.36 1.21 97.17 0.72 0.00 0.00 0.00 5 A H H 72.13 1.69 17.23 18.23 91.70 53.68 -63.96 -39.25 1.15 0.00 98.84 0.14 0.10 0.77 98.28 0.71 0.00 0.00 0.00 6 N H H 44.15 11.01 15.49 27.65 92.40 48.80 -66.93 -38.88 0.55 0.00 99.44 0.11 0.05 0.31 98.90 0.63 0.00 0.00 0.00 7 K H H 45.52 17.96 15.41 32.75 91.60 53.21 -62.54 -42.38 0.15 0.00 99.85 0.03 0.01 0.07 99.83 0.07 0.00 0.00 0.00 8 Y H H 113.67 5.12 21.66 26.99 91.80 50.17 -64.33 -41.36 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 9 K H H 94.46 4.58 22.95 27.51 91.62 50.06 -64.07 -41.80 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.03 0.00 0.00 0.00 10 I H H 7.31 22.31 18.07 40.53 91.47 49.71 -63.62 -43.67 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 11 K H H 47.77 18.09 20.41 37.36 91.31 51.33 -62.24 -42.45 0.28 0.00 99.72 0.02 0.01 0.20 99.68 0.09 0.00 0.00 0.00 12 R H H 126.82 3.32 24.08 26.94 91.61 50.64 -63.80 -41.55 0.55 0.00 99.45 0.03 0.02 0.44 99.29 0.22 0.00 0.00 0.00 13 R H H 63.04 10.07 21.20 32.04 91.96 49.46 -65.10 -41.70 0.99 0.00 99.01 0.06 0.05 0.82 98.56 0.51 0.00 0.00 0.00 14 L H H 5.17 24.40 15.72 40.18 91.67 49.85 -64.91 -41.91 2.62 0.01 97.37 0.21 0.17 2.13 96.07 1.41 0.01 0.00 0.00 15 L H H 56.53 14.11 18.41 32.16 92.94 47.59 -68.85 -35.02 8.75 0.03 91.22 0.62 0.59 7.30 89.00 2.43 0.03 0.01 0.02 16 E H H 127.56 2.35 21.30 23.17 93.80 49.71 -71.15 -33.65 20.50 0.09 79.42 1.37 1.83 17.14 77.43 2.10 0.04 0.03 0.05 17 K C T 93.32 9.29 18.70 28.25 99.34 34.81 -95.68 -1.56 62.99 0.55 36.46 5.17 10.89 45.09 35.88 2.38 0.05 0.22 0.31 18 K C T 85.63 12.90 21.00 33.52 96.70 -120.36 61.11 38.55 93.64 4.86 1.50 30.84 14.25 48.84 0.73 0.58 0.00 4.37 0.39 19 A E E 7.56 21.49 20.67 41.91 130.04 133.88 -122.99 150.05 33.91 65.91 0.19 30.32 2.33 0.30 0.06 0.11 0.00 65.99 0.88 20 L E E 8.52 22.57 24.36 46.40 124.04 -150.63 -113.73 138.03 4.67 95.29 0.03 4.31 0.29 0.03 0.02 0.01 0.00 94.59 0.74 21 L E E 28.89 17.76 26.11 43.09 118.74 -147.40 -106.72 129.36 4.30 95.67 0.03 4.06 0.22 0.03 0.02 0.01 0.00 94.65 1.01 22 L E E 13.18 22.59 17.32 39.71 118.21 -154.90 -101.85 135.32 37.53 62.30 0.17 34.11 2.15 0.33 0.05 0.11 0.00 62.25 1.01 23 E C C 96.37 8.84 21.35 30.38 107.12 -147.87 -85.11 67.80 81.50 17.92 0.58 54.88 22.19 3.96 0.12 0.49 0.00 17.42 0.94 24 D C C 64.85 10.61 17.51 28.35 109.81 39.23 -94.06 98.90 92.77 5.01 2.23 64.59 20.85 7.34 0.44 1.92 0.00 3.78 1.09 25 T C C 62.43 12.83 14.73 27.43 101.24 -152.80 -85.68 -3.85 89.30 4.20 6.49 37.93 26.72 25.21 1.03 5.35 0.00 2.55 1.22 26 V C C 90.98 6.00 17.82 24.72 102.81 72.62 -93.16 29.88 83.72 9.19 7.09 38.73 22.51 23.60 1.33 5.48 0.02 5.12 3.21 27 L C C 49.83 16.19 12.16 27.90 109.77 112.00 -87.42 110.57 84.89 7.79 7.33 58.71 19.23 6.81 2.05 5.31 0.01 4.49 3.40 28 G C C 31.99 6.68 18.13 25.58 125.49 -125.89 66.48 175.40 89.45 5.53 5.01 62.96 15.58 10.68 1.11 4.24 0.00 3.64 1.79 29 N C C 112.37 4.04 16.46 22.08 115.28 -69.62 -84.77 138.46 81.59 12.25 6.16 54.34 17.51 8.98 1.64 4.88 0.01 5.33 7.31 30 H C C 43.34 16.69 8.38 24.33 114.54 -141.72 -95.84 124.15 87.72 9.37 2.91 75.74 8.16 2.63 1.23 1.70 0.00 3.92 6.63 31 R C T 189.89 1.00 15.03 15.54 94.00 -138.30 -66.36 -28.07 89.15 1.02 9.83 9.25 14.52 65.16 1.29 8.65 0.00 0.62 0.51 32 D C T 107.01 2.99 14.23 18.09 96.81 46.02 -89.76 -6.40 89.96 0.82 9.22 7.53 16.34 65.79 1.18 8.22 0.00 0.48 0.45 33 L C C 31.79 18.08 8.19 24.99 123.52 68.76 -114.51 140.60 84.59 5.67 9.74 40.15 29.33 14.70 1.74 7.92 0.01 2.05 4.10 34 E C C 150.54 1.68 19.70 20.88 98.28 -146.07 -84.91 11.33 97.25 1.90 0.85 46.50 41.21 9.68 0.23 0.62 0.00 1.04 0.71 35 I C S 29.99 16.68 11.86 28.90 120.73 101.79 -104.63 134.96 95.53 4.08 0.39 37.78 58.04 0.60 0.28 0.10 0.00 1.57 1.62 36 P C C 56.29 5.36 21.89 27.72 113.01 -108.65 -66.64 145.79 91.65 6.56 1.79 90.75 1.10 0.41 1.56 0.18 0.00 2.07 3.93 37 N H H 43.70 18.72 14.19 32.23 92.40 -115.71 -59.35 -37.07 4.76 0.03 95.20 1.77 0.83 2.24 93.94 1.20 0.00 0.01 0.01 38 L H H 86.32 5.69 21.63 27.82 91.30 57.69 -63.83 -36.48 1.21 0.01 98.79 0.23 0.10 0.76 97.63 1.26 0.00 0.00 0.00 39 H H H 74.90 8.28 22.03 30.75 91.84 50.84 -65.88 -40.42 0.45 0.01 99.54 0.09 0.04 0.28 98.04 1.55 0.00 0.00 0.00 40 L H H 3.14 25.29 16.76 42.50 91.46 50.44 -63.02 -43.72 0.17 0.00 99.83 0.03 0.01 0.09 99.62 0.25 0.00 0.00 0.00 41 K H H 55.95 15.60 20.96 35.83 91.40 51.39 -62.31 -42.33 0.16 0.00 99.84 0.02 0.01 0.10 99.58 0.30 0.00 0.00 0.00 42 I H H 87.20 3.36 24.80 27.50 91.43 50.25 -63.97 -41.74 0.36 0.00 99.63 0.03 0.01 0.27 99.03 0.65 0.00 0.00 0.00 43 F H H 34.06 15.27 20.63 36.09 91.92 49.66 -64.81 -41.64 1.30 0.00 98.70 0.07 0.05 1.06 97.63 1.19 0.00 0.00 0.00 44 M H H 5.90 24.96 16.40 41.35 91.74 51.13 -65.93 -36.87 7.18 0.04 92.78 0.79 0.52 5.58 89.81 3.25 0.01 0.02 0.02 45 K H H 109.94 7.54 20.83 29.12 91.80 59.52 -63.51 -37.38 26.36 0.34 73.30 2.56 2.14 21.13 66.29 7.42 0.11 0.20 0.15 46 T H H 70.89 4.27 21.44 25.56 92.16 52.23 -67.57 -33.73 41.30 0.88 57.82 5.01 4.57 31.01 50.07 8.26 0.17 0.55 0.36 47 M H H 20.02 19.56 13.91 33.20 94.01 55.76 -72.11 -27.42 43.30 9.30 47.40 22.69 9.24 12.77 36.43 9.54 0.37 6.59 2.37 48 I H H 72.21 13.84 14.96 28.33 93.19 67.39 -66.17 -38.04 36.26 26.18 37.57 20.98 7.01 9.98 27.80 8.84 0.71 20.25 4.43 49 S C E 83.95 1.97 17.62 19.50 92.50 58.09 -71.63 -19.77 34.53 32.93 32.54 12.87 8.66 15.47 20.79 10.81 1.67 22.63 7.11 50 Y C T 127.88 5.96 15.32 22.54 95.28 55.88 -90.26 6.33 84.06 2.09 13.84 4.07 13.82 66.87 6.10 6.73 0.09 1.23 1.09 51 G C T 43.72 5.28 19.06 25.24 95.11 -105.44 80.61 9.38 97.63 0.35 2.03 2.55 15.81 79.74 0.31 1.27 0.00 0.20 0.12 52 Y C S 34.97 17.15 16.47 34.11 97.55 114.65 -89.08 -21.67 70.73 28.26 1.00 13.50 40.33 18.68 0.21 0.78 0.01 24.66 1.83 53 V E E 5.44 24.20 13.00 37.65 132.23 36.95 -132.62 146.83 14.91 85.02 0.07 11.62 3.37 0.21 0.03 0.04 0.00 83.31 1.42 54 Q E E 84.82 5.99 24.11 30.28 123.54 -152.90 -112.35 141.56 3.55 96.44 0.00 3.33 0.12 0.01 0.00 0.00 0.00 96.43 0.10 55 R E E 103.73 15.16 15.08 29.64 120.10 -137.62 -105.44 132.35 1.10 98.90 0.00 1.11 0.02 0.00 0.00 0.00 0.00 98.84 0.03 56 I E E 68.12 7.69 16.80 26.10 121.42 -169.66 -120.55 131.53 1.38 98.62 0.00 1.29 0.05 0.00 0.00 0.00 0.00 98.61 0.04 57 H E E 108.77 7.84 12.70 22.09 115.99 -149.33 -102.36 126.33 11.00 88.99 0.01 9.65 0.70 0.05 0.00 0.01 0.00 89.35 0.25 58 V C C 66.40 6.58 11.41 19.90 119.84 175.02 -125.97 129.81 67.02 32.92 0.07 60.64 3.91 0.26 0.01 0.05 0.00 34.60 0.54 59 W C S 195.66 2.15 13.49 16.15 98.45 -52.00 23.52 -45.29 98.63 0.96 0.41 7.91 62.25 28.59 0.03 0.36 0.00 0.73 0.14 60 R C S 159.43 3.92 13.75 18.66 100.39 -14.39 -91.79 -2.67 98.36 1.27 0.38 7.57 62.56 28.33 0.02 0.35 0.00 1.03 0.13 61 H E E 69.97 9.49 14.74 25.65 128.74 70.97 -127.53 147.24 38.54 61.32 0.14 28.26 8.60 1.20 0.02 0.14 0.00 61.26 0.52 62 S E E 20.67 14.87 16.03 32.06 123.01 -151.20 -115.30 137.32 5.40 94.60 0.00 4.97 0.25 0.02 0.00 0.00 0.00 94.64 0.12 63 Y E E 33.22 14.63 20.79 36.46 127.01 -169.27 -124.59 143.77 0.61 99.39 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 64 F E E 18.13 20.20 20.37 40.66 121.01 -147.11 -108.84 134.25 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.71 0.01 65 L E E 35.31 14.03 25.32 39.37 125.99 -169.75 -119.30 139.31 0.94 99.06 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.01 0.07 66 L E E 9.50 23.73 16.66 40.90 113.75 -119.86 -78.59 132.74 13.55 86.45 0.00 13.53 0.27 0.01 0.00 0.00 0.00 85.12 1.07 67 T C C 29.33 11.09 20.37 32.53 123.90 -135.31 -84.26 167.28 98.94 1.04 0.02 98.81 0.40 0.01 0.01 0.00 0.00 0.72 0.05 68 P H H 91.78 4.71 19.60 25.47 90.84 -99.48 -58.93 -36.87 2.83 0.01 97.16 0.37 0.28 2.03 96.60 0.71 0.00 0.00 0.00 69 L H H 91.49 3.32 22.30 25.21 91.34 53.49 -64.48 -39.93 1.08 0.00 98.92 0.06 0.06 0.92 98.12 0.84 0.00 0.00 0.00 70 G H H 2.52 21.88 15.58 38.02 91.42 50.33 -63.89 -42.76 0.62 0.00 99.38 0.08 0.04 0.40 98.68 0.80 0.00 0.00 0.00 71 E H H 32.03 18.05 18.47 36.13 91.51 50.88 -63.09 -42.11 0.23 0.00 99.77 0.03 0.01 0.12 99.74 0.10 0.00 0.00 0.00 72 S H H 60.70 2.64 24.07 25.52 91.43 50.68 -63.55 -41.81 0.26 0.00 99.74 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 73 R H H 72.45 8.99 21.06 30.88 91.86 49.06 -64.81 -42.10 0.30 0.00 99.70 0.03 0.01 0.19 99.72 0.06 0.00 0.00 0.00 74 L H H 5.28 24.20 15.38 39.72 91.53 50.18 -64.24 -42.37 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 75 R H H 84.18 12.17 17.49 29.85 91.96 50.67 -63.40 -40.72 0.25 0.00 99.75 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 76 E H H 136.68 1.34 20.77 20.51 93.31 47.07 -68.06 -39.73 0.74 0.00 99.26 0.02 0.02 0.65 99.18 0.12 0.00 0.00 0.00 77 E H H 76.32 10.27 16.89 27.71 96.96 40.68 -79.54 -36.26 4.87 0.01 95.12 0.08 0.18 4.70 94.83 0.20 0.00 0.00 0.00 78 L H H 29.99 17.72 13.91 31.56 99.42 31.66 -99.57 -7.74 49.79 0.20 50.01 1.98 6.26 39.17 51.55 0.77 0.05 0.05 0.17 79 V C T 105.18 3.99 20.61 25.18 95.10 -125.39 59.58 40.38 98.55 0.14 1.32 32.97 5.40 60.45 0.72 0.31 0.00 0.06 0.09 80 F C C 37.15 18.29 8.99 26.56 121.88 156.92 -94.35 147.50 99.50 0.35 0.15 86.21 12.90 0.32 0.07 0.05 0.00 0.10 0.34 81 T C C 70.42 3.14 19.09 21.92 117.33 -106.30 -71.42 155.61 99.62 0.12 0.25 98.87 0.64 0.23 0.07 0.07 0.00 0.04 0.08 82 D H G 102.95 7.37 12.21 21.29 92.08 -109.37 -61.21 -27.99 49.79 0.29 49.93 3.13 5.94 38.53 2.46 49.65 0.00 0.15 0.16 83 E H G 151.84 1.24 17.79 18.33 92.69 63.96 -72.17 -16.20 48.18 0.37 51.44 1.92 4.24 40.26 2.59 50.63 0.00 0.22 0.14 84 G H G 23.87 12.90 14.95 28.12 97.57 58.71 -85.09 -12.75 44.13 1.54 54.32 7.99 8.47 27.95 3.00 51.15 0.01 0.91 0.50 85 V C S 23.69 20.19 11.50 30.95 119.34 83.43 -103.40 133.26 88.51 8.19 3.31 34.95 52.38 1.53 2.23 0.87 0.01 2.26 5.76 86 A C C 34.16 8.81 16.11 26.76 113.78 -112.91 -67.11 147.44 86.34 8.46 5.21 81.99 3.11 1.57 2.21 2.48 0.00 4.41 4.24 87 S H G 82.29 4.43 14.40 20.60 92.33 -117.16 -61.07 -29.02 37.43 1.52 61.05 11.62 8.13 18.37 3.77 56.76 0.00 0.97 0.37 88 Q H G 127.16 2.85 16.46 20.12 92.71 63.79 -72.95 -16.38 39.45 1.47 59.08 7.94 7.75 24.32 3.66 54.98 0.01 0.94 0.40 89 E H G 65.61 13.93 12.03 26.00 97.15 56.29 -92.09 -0.96 40.07 2.52 57.41 14.30 10.44 17.00 3.40 52.65 0.01 1.41 0.80 90 A C S 46.00 11.95 12.21 24.79 116.92 106.27 -85.08 137.88 96.09 2.07 1.84 40.37 54.91 1.15 1.08 0.57 0.00 0.68 1.26 91 P C C 78.83 6.33 12.72 20.71 114.18 -108.09 -67.81 149.34 93.75 3.01 3.24 85.63 5.78 2.47 1.55 1.44 0.00 1.52 1.61 92 A C C 84.19 3.08 11.67 16.71 111.61 -106.60 -71.96 140.15 91.35 3.87 4.79 80.74 7.07 3.67 2.08 2.46 0.00 2.20 1.78 93 V C C 103.47 4.91 8.48 15.39 116.29 -136.19 -96.65 135.59 89.76 5.56 4.69 75.36 9.22 5.00 1.98 2.56 0.00 3.42 2.46 94 S C C 89.32 1.87 9.15 12.72 115.69 -146.55 -100.34 137.72 92.90 4.45 2.65 88.29 1.37 3.98 1.10 0.96 0.00 2.60 1.71 95 A C C 86.99 2.81 9.86 14.46 108.01 -122.50 -80.27 124.75 99.92 0.07 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01