# 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 92.92 10.23 16.60 27.09 113.12 -144.44 -88.70 131.40 99.76 0.13 0.11 99.49 0.17 0.17 0.07 0.01 0.00 0.06 0.03 1 G C C 31.63 10.17 14.42 25.10 118.33 -144.53 -70.95 174.00 89.34 1.21 9.45 82.01 2.51 4.20 9.43 0.67 0.00 0.45 0.74 2 D C C 82.29 6.28 17.60 24.30 103.00 -81.64 -83.14 37.76 63.87 1.28 34.84 48.65 8.86 4.75 35.24 1.39 0.00 0.42 0.67 3 V H H 40.07 17.23 13.13 29.57 94.31 55.30 -64.77 -36.70 13.00 0.21 86.79 5.63 2.40 5.60 83.93 2.23 0.02 0.10 0.09 4 E H H 112.05 3.74 20.14 24.25 92.43 53.43 -64.72 -40.68 8.47 0.19 91.34 3.78 1.28 3.86 88.56 2.34 0.02 0.10 0.06 5 K H H 96.64 4.76 21.27 26.19 91.88 49.28 -65.91 -39.96 5.41 0.10 94.49 2.10 0.84 2.72 92.31 1.93 0.01 0.06 0.03 6 G H H 3.90 20.88 15.48 36.63 91.65 52.07 -63.28 -42.30 5.47 0.08 94.45 2.05 0.70 2.79 93.39 1.00 0.01 0.04 0.02 7 K H H 70.59 14.95 20.25 34.34 91.32 52.25 -62.77 -41.82 2.53 0.08 97.39 1.04 0.34 1.15 96.97 0.44 0.01 0.05 0.02 8 K H H 111.89 3.21 24.53 27.26 91.56 50.49 -64.31 -41.77 1.92 0.12 97.96 0.74 0.30 0.92 97.61 0.33 0.01 0.07 0.02 9 I H H 28.89 12.25 20.95 34.25 91.52 48.80 -63.89 -43.73 1.75 0.15 98.10 0.61 0.29 0.90 97.79 0.28 0.01 0.09 0.03 10 F H H 7.98 24.02 17.60 41.40 92.03 46.67 -64.90 -43.38 2.17 0.19 97.64 0.72 0.35 1.20 97.20 0.36 0.02 0.11 0.04 11 V H H 50.10 13.89 19.06 32.58 94.92 43.46 -71.01 -40.89 2.99 0.12 96.88 0.55 0.39 2.19 96.27 0.47 0.03 0.06 0.03 12 Q H H 114.99 2.61 21.95 24.10 98.04 37.47 -82.12 -38.33 7.14 0.08 92.77 0.42 0.57 6.67 91.37 0.82 0.07 0.04 0.04 13 K H H 90.15 9.01 20.17 29.46 103.08 26.26 -99.80 -34.29 31.73 0.15 68.12 0.62 1.77 30.56 65.07 1.67 0.15 0.05 0.11 14 C C T 6.52 22.52 14.98 37.75 101.82 31.84 -102.97 -18.34 59.17 0.35 40.49 2.94 3.60 52.04 35.87 5.10 0.07 0.15 0.24 15 A H G 30.22 16.38 16.41 32.83 91.83 84.25 -61.02 -30.06 37.91 0.35 61.74 3.74 2.70 30.63 16.80 45.69 0.04 0.19 0.20 16 Q H G 118.02 3.57 23.72 27.92 91.47 61.07 -69.67 -23.62 42.99 0.24 56.77 1.25 2.36 39.32 14.29 42.40 0.06 0.13 0.19 17 C H T 34.21 14.91 20.20 35.14 101.54 33.17 -104.25 -14.17 48.52 0.42 51.06 1.85 4.91 41.44 15.13 35.98 0.10 0.22 0.36 18 H C S 19.98 20.48 17.42 37.60 125.16 51.36 -124.99 137.83 69.31 16.72 13.97 23.49 39.01 6.55 6.90 5.78 0.37 4.62 13.28 19 T E B 25.86 10.83 21.32 33.66 117.12 -141.39 -104.01 126.36 47.50 51.05 1.45 39.15 4.00 0.62 1.03 0.32 0.00 10.20 44.68 20 V H G 43.85 16.42 15.51 32.00 94.23 -153.39 -70.66 -29.80 40.60 3.71 55.69 9.78 9.36 23.88 5.32 47.96 0.07 2.31 1.33 21 E H G 127.72 3.77 18.56 23.20 94.29 56.71 -72.04 -29.41 36.74 1.93 61.32 3.45 6.22 27.00 3.70 57.69 0.05 1.26 0.63 22 K H G 125.31 4.08 16.14 20.99 99.07 31.76 -99.74 8.56 36.56 0.70 62.74 2.53 5.00 28.00 2.47 61.34 0.00 0.39 0.26 23 G C T 40.54 6.76 15.67 23.42 106.18 -103.78 81.98 12.34 88.60 0.81 10.59 12.68 11.01 64.12 1.00 10.30 0.00 0.40 0.49 24 G C C 24.65 12.16 13.39 25.98 126.32 120.11 -74.78 165.33 88.74 8.26 3.00 50.85 27.29 10.39 0.57 2.72 0.00 3.67 4.50 25 K C C 130.12 4.71 19.81 25.32 113.57 -74.91 -95.51 134.47 86.42 11.59 2.00 52.54 27.78 5.92 0.47 1.70 0.00 5.18 6.40 26 H C C 69.88 15.16 11.39 26.07 112.35 -127.51 -91.84 123.37 87.10 11.55 1.35 65.40 16.61 4.11 0.38 1.09 0.00 4.53 7.89 27 K C S 140.70 4.11 17.38 22.80 97.44 -151.74 -76.66 -23.68 95.85 3.37 0.79 28.47 51.92 15.64 0.12 0.76 0.00 1.81 1.28 28 T C S 83.46 5.74 18.07 24.41 102.09 38.92 -99.05 -15.31 95.31 4.01 0.69 10.81 69.20 15.66 0.09 0.57 0.00 2.36 1.30 29 G C S 17.71 12.12 18.56 31.12 140.45 -1.03 -143.63 171.06 93.93 5.79 0.27 19.33 73.75 1.67 0.05 0.17 0.00 3.02 2.00 30 P C C 42.60 13.03 20.70 34.08 115.05 -63.56 -67.27 148.29 94.23 5.46 0.31 82.37 10.71 1.07 0.10 0.23 0.00 2.71 2.81 31 N C C 29.53 17.39 22.04 38.99 112.79 -130.22 -92.20 129.80 82.69 16.63 0.69 76.03 3.52 0.44 0.44 0.18 0.00 3.46 15.92 32 L H H 13.75 22.82 21.62 44.29 93.46 -149.86 -66.49 -28.49 26.05 1.30 72.65 7.16 6.24 14.17 54.96 15.62 0.46 0.59 0.81 33 H H H 52.32 15.21 22.97 37.59 92.16 64.68 -64.66 -36.10 18.27 0.35 81.38 1.80 2.07 12.97 59.14 23.41 0.24 0.19 0.18 34 G H H 17.16 12.58 21.81 34.76 92.15 53.10 -65.30 -36.12 13.17 0.21 86.62 1.60 1.43 8.84 62.23 25.62 0.08 0.13 0.08 35 L H H 32.13 18.91 19.53 37.42 93.01 54.87 -69.97 -31.89 18.58 0.38 81.04 2.12 2.45 12.59 60.32 21.84 0.27 0.21 0.20 36 F C T 59.27 15.42 18.88 34.08 97.67 42.39 -94.73 1.64 50.77 0.93 48.31 3.13 6.52 39.55 37.20 11.89 0.40 0.43 0.89 37 G C T 45.05 6.40 20.47 27.24 97.41 -103.83 83.68 11.33 97.28 0.51 2.21 17.30 10.62 69.68 1.01 0.90 0.00 0.27 0.21 38 R C C 96.71 10.84 15.36 26.86 122.41 127.71 -97.67 147.29 93.49 5.19 1.32 73.07 16.55 3.22 0.47 0.86 0.00 2.21 3.61 39 K C C 124.18 5.43 20.48 26.65 115.45 -107.76 -79.93 139.63 89.74 8.98 1.28 77.59 8.63 2.30 0.44 0.85 0.00 3.27 6.92 40 T C T 48.05 17.34 14.84 31.00 111.25 -109.85 -70.79 138.50 88.85 4.81 6.35 24.69 18.02 46.00 0.80 5.65 0.00 2.44 2.40 41 G C T 33.39 11.16 18.70 29.81 97.85 18.38 85.02 -1.76 92.77 2.14 5.09 19.82 20.75 51.67 0.47 5.15 0.00 1.17 0.98 42 Q C C 93.07 8.15 19.36 28.13 107.71 109.68 -93.70 40.67 91.62 4.21 4.16 53.98 29.40 7.24 0.56 4.08 0.00 1.50 3.24 43 A C C 24.20 16.08 11.99 27.99 120.61 98.07 -94.55 143.39 93.52 5.69 0.79 54.25 36.48 1.95 0.27 0.48 0.00 1.43 5.14 44 P C T 103.35 3.08 17.59 21.59 109.59 -92.27 -61.41 137.07 97.64 0.98 1.39 4.03 8.01 85.37 0.17 1.29 0.00 0.53 0.60 45 G C T 55.28 2.73 17.71 20.86 95.94 17.78 85.13 -2.31 98.59 0.55 0.87 4.86 7.37 86.28 0.09 0.87 0.00 0.37 0.16 46 F C C 39.66 19.45 10.29 28.83 121.48 112.24 -100.93 139.58 89.34 9.80 0.86 75.12 11.73 1.61 0.27 0.66 0.00 4.15 6.46 47 T C C 79.58 4.39 23.14 28.01 124.68 -167.38 -121.49 143.33 87.27 12.18 0.55 80.70 5.05 1.04 0.21 0.33 0.00 5.42 7.24 48 Y C C 61.06 19.92 13.19 31.96 116.79 -127.18 -89.59 135.27 87.16 11.82 1.03 76.63 8.07 1.34 0.49 0.55 0.00 5.48 7.43 49 T C C 44.24 8.95 16.69 26.89 125.34 -155.06 -102.58 161.95 93.97 4.47 1.56 80.61 11.23 1.43 0.97 0.59 0.00 1.62 3.55 50 D H G 110.20 2.92 16.36 20.42 91.78 -103.63 -60.96 -32.72 40.13 0.74 59.13 5.93 7.91 24.95 26.45 33.82 0.08 0.36 0.50 51 A H G 58.21 6.07 15.89 23.24 91.77 61.57 -67.29 -26.42 39.65 0.46 59.89 3.72 5.15 28.07 26.91 35.50 0.08 0.24 0.33 52 N H G 26.05 17.60 10.84 28.20 98.53 48.37 -97.92 3.34 34.40 1.48 64.13 9.13 6.52 18.12 27.63 36.98 0.09 0.74 0.78 53 K C T 107.52 9.95 13.92 24.60 95.59 101.10 -64.33 -29.29 50.14 1.53 48.33 8.25 6.93 32.32 28.75 21.64 0.26 0.79 1.05 54 N C T 128.73 1.74 17.26 18.95 95.67 31.01 -68.99 3.35 59.68 1.18 39.14 7.10 8.43 41.93 21.57 19.32 0.15 0.64 0.85 55 K C T 109.70 7.11 16.85 24.76 99.21 79.10 -95.56 0.10 66.15 2.32 31.53 15.02 19.16 32.94 15.38 14.62 0.16 1.09 1.62 56 G C C 27.05 9.82 18.91 29.53 109.37 -112.36 87.42 21.43 90.40 7.07 2.53 42.67 24.69 23.94 0.66 1.76 0.00 4.32 1.94 57 I C C 18.67 22.33 15.43 37.39 115.11 135.56 -95.80 124.25 78.32 20.61 1.07 66.38 9.18 1.84 0.49 0.68 0.00 14.63 6.80 58 T C C 49.83 11.09 25.08 36.22 120.94 -172.34 -115.24 128.43 73.17 26.14 0.69 62.20 8.60 1.30 0.36 0.44 0.00 18.85 8.25 59 W C C 23.70 23.23 15.70 38.63 117.48 -151.85 -101.28 128.97 73.02 26.54 0.44 65.25 7.37 0.54 0.29 0.22 0.00 14.25 12.06 60 K C C 84.45 6.40 24.88 31.18 128.65 -150.60 -106.17 164.84 96.43 3.08 0.48 90.97 5.46 0.29 0.43 0.09 0.00 1.62 1.13 61 E H H 77.10 15.52 15.84 30.93 91.09 -100.30 -58.42 -38.88 3.50 0.02 96.47 0.70 0.72 2.00 96.04 0.52 0.01 0.01 0.01 62 E H H 120.35 3.08 22.76 25.89 91.67 52.74 -64.42 -38.96 2.50 0.02 97.48 0.45 0.27 1.68 96.86 0.71 0.01 0.01 0.01 63 T H H 19.39 14.97 19.20 34.75 92.01 50.18 -65.85 -41.36 1.48 0.04 98.48 0.43 0.18 0.83 97.62 0.89 0.01 0.03 0.01 64 L H H 3.75 25.09 18.02 43.28 91.37 50.88 -63.02 -43.09 1.04 0.04 98.92 0.39 0.14 0.52 98.61 0.30 0.00 0.02 0.01 65 M H H 38.50 13.42 21.94 35.72 91.52 50.82 -63.31 -41.78 0.52 0.02 99.47 0.15 0.06 0.26 99.39 0.13 0.00 0.01 0.00 66 E H H 72.45 5.81 24.29 30.55 91.36 51.13 -63.61 -41.88 0.31 0.01 99.69 0.06 0.03 0.18 99.57 0.17 0.00 0.00 0.00 67 Y H H 17.61 19.55 18.90 38.42 91.94 49.94 -64.49 -41.97 0.52 0.00 99.47 0.06 0.03 0.37 99.24 0.29 0.00 0.00 0.00 68 L H H 17.74 21.53 18.39 39.20 92.41 48.64 -68.32 -35.91 2.03 0.00 97.97 0.08 0.08 1.81 97.78 0.24 0.00 0.00 0.00 69 E H H 102.29 6.19 21.26 27.75 95.41 44.25 -79.10 -31.44 6.86 0.02 93.12 0.16 0.56 6.17 92.87 0.19 0.02 0.00 0.01 70 N C C 70.89 5.43 19.36 25.88 112.79 17.74 -135.34 77.71 99.69 0.12 0.20 86.35 12.97 0.33 0.17 0.03 0.00 0.03 0.13 71 P H G 20.76 21.46 10.56 31.69 92.70 171.35 -62.62 -28.55 13.43 0.08 86.49 2.10 1.01 9.59 21.89 65.34 0.00 0.06 0.02 72 K H G 120.04 7.46 17.24 25.96 91.08 66.88 -69.15 -20.50 10.30 0.09 89.61 0.80 0.74 8.43 24.09 65.85 0.00 0.06 0.02 73 K H G 128.03 3.54 19.69 23.61 93.39 59.44 -75.73 -23.77 10.21 0.12 89.67 1.20 0.99 7.50 25.01 65.19 0.00 0.08 0.03 74 Y H G 64.11 15.22 15.57 30.42 101.69 35.95 -100.03 -21.00 39.26 0.92 59.82 5.10 7.92 24.87 28.56 32.18 0.25 0.43 0.68 75 I C S 26.84 17.79 12.63 30.37 112.08 37.72 -124.15 91.17 97.10 1.99 0.91 35.74 59.99 1.33 0.69 0.24 0.00 0.61 1.39 76 P C T 75.20 6.54 16.91 24.74 110.24 -144.58 -64.22 135.65 86.37 0.78 12.85 22.60 10.49 53.48 4.67 7.85 0.00 0.39 0.52 77 G C T 51.97 4.01 17.49 21.96 99.19 14.94 81.84 -5.90 77.71 0.90 21.39 11.75 13.19 52.17 9.12 12.63 0.02 0.45 0.68 78 T C C 45.26 15.62 13.40 28.35 110.11 90.81 -100.40 35.90 64.64 2.40 32.96 35.62 15.82 13.12 16.32 16.54 0.03 1.05 1.51 79 K C C 114.85 8.01 19.27 27.72 98.57 -144.26 -73.34 -13.58 53.50 4.70 41.80 31.30 11.74 10.84 25.41 16.14 0.06 2.66 1.85 80 M C C 61.13 14.35 18.03 31.93 102.03 68.32 -80.21 -2.04 48.75 5.95 45.29 32.62 7.84 8.33 27.14 18.32 0.04 3.90 1.81 81 I H H 42.19 16.94 18.88 34.97 97.79 75.97 -71.30 -30.70 45.85 6.45 47.70 22.83 9.79 13.94 28.59 18.67 0.16 3.99 2.04 82 F C H 55.12 17.44 18.31 34.41 96.26 48.08 -78.05 -13.00 47.53 5.55 46.92 19.17 9.74 19.19 27.01 19.21 0.33 3.06 2.28 83 A C T 51.10 9.86 19.02 29.22 94.93 79.44 -67.15 -28.52 64.01 1.93 34.06 11.53 10.05 40.60 21.01 14.52 0.09 1.03 1.16 84 G C T 35.73 8.76 19.20 28.32 95.93 49.09 -69.90 -14.73 74.15 0.88 24.96 13.70 12.28 47.29 13.44 12.22 0.01 0.45 0.60 85 I C C 34.70 18.85 13.53 31.59 104.18 77.53 -87.17 24.64 76.98 2.26 20.76 50.00 13.27 13.45 12.08 8.62 0.01 0.97 1.60 86 K C C 105.23 9.78 16.36 26.37 100.91 111.69 -83.51 -14.73 85.97 1.69 12.34 57.16 18.60 9.91 8.19 4.21 0.00 0.65 1.28 87 K C C 113.66 4.14 17.44 22.23 113.97 68.75 -84.15 142.15 89.43 1.82 8.75 54.95 31.00 3.31 7.41 1.46 0.00 0.52 1.35 88 K H H 117.26 7.72 14.30 23.27 94.95 -118.80 -62.10 -38.75 8.47 0.05 91.49 2.25 2.36 4.08 89.62 1.63 0.01 0.02 0.03 89 T H H 83.06 3.63 18.38 22.37 93.34 51.81 -65.80 -39.41 6.05 0.03 93.92 1.42 0.84 3.68 92.05 1.98 0.01 0.01 0.02 90 E H H 59.22 12.17 18.05 30.58 92.48 50.30 -66.11 -40.28 2.84 0.02 97.14 1.05 0.34 1.45 95.44 1.69 0.00 0.01 0.01 91 R H H 36.20 19.47 17.77 36.46 91.81 51.87 -63.42 -42.24 0.84 0.00 99.15 0.28 0.08 0.39 98.91 0.33 0.00 0.00 0.00 92 E H H 75.25 9.52 23.47 33.16 91.42 51.29 -63.92 -41.17 0.29 0.00 99.71 0.06 0.02 0.15 99.70 0.07 0.00 0.00 0.00 93 D H H 54.74 8.48 25.39 34.36 91.67 50.67 -65.13 -40.92 0.20 0.00 99.80 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 94 L H H 5.68 23.22 22.80 45.54 91.27 50.14 -63.95 -43.69 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 95 I H H 10.49 20.87 23.57 44.01 91.13 49.63 -63.74 -42.96 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 96 A H H 33.44 7.11 25.86 34.12 91.20 51.77 -62.95 -42.59 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 97 Y H H 37.44 14.29 23.73 38.22 91.57 49.70 -63.99 -43.00 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 98 L H H 4.28 24.69 19.53 44.17 91.41 49.75 -63.70 -42.84 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 99 K H H 79.12 11.94 21.50 33.16 91.36 51.20 -63.03 -41.13 0.75 0.00 99.25 0.07 0.04 0.55 99.24 0.10 0.00 0.00 0.00 100 K H H 113.11 3.39 22.65 25.68 91.90 49.92 -66.01 -38.69 4.36 0.01 95.63 0.40 0.29 3.33 95.69 0.29 0.00 0.00 0.00 101 A H H 20.79 15.14 15.73 31.41 92.75 51.71 -68.71 -32.95 14.23 0.06 85.71 2.26 1.47 9.65 85.84 0.70 0.01 0.02 0.03 102 T H H 38.64 15.80 13.14 28.43 97.30 52.75 -82.04 -17.81 38.56 0.59 60.84 10.53 6.12 21.97 59.42 1.38 0.05 0.21 0.33 103 N C C 111.68 3.33 14.24 18.79 100.13 61.11 -83.05 6.34 69.60 0.63 29.77 37.37 2.28 27.25 31.07 1.41 0.00 0.24 0.37 104 E C C 125.26 4.47 13.19 19.26 106.66 94.72 -84.12 64.09 99.80 0.07 0.13 99.51 0.15 0.18 0.09 0.01 0.00 0.03 0.02