# 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 123.70 4.79 10.49 17.04 115.24 -159.35 -95.78 131.02 99.84 0.15 0.02 99.74 0.12 0.04 0.01 0.00 0.00 0.07 0.02 1 S C C 84.65 2.64 8.92 13.50 117.36 -160.43 -100.41 138.91 91.81 5.27 2.92 84.30 1.57 6.47 0.98 1.41 0.00 3.50 1.78 2 S C C 84.47 2.87 8.72 13.36 116.00 -154.09 -98.51 143.30 89.67 6.50 3.83 51.99 20.95 17.03 0.83 3.10 0.00 4.40 1.70 3 S C C 85.57 2.85 8.97 13.65 114.97 -140.08 -97.81 127.76 86.31 8.96 4.73 58.02 19.22 9.07 1.31 3.58 0.00 6.06 2.73 4 I C C 111.54 4.72 8.93 15.46 117.28 -161.99 -104.53 134.81 86.34 9.57 4.08 60.77 19.17 6.43 1.63 2.50 0.00 6.27 3.22 5 S C C 78.74 3.76 10.73 16.17 113.56 -129.02 -85.36 135.26 89.37 6.97 3.67 63.14 20.46 5.72 1.77 1.95 0.00 4.27 2.69 6 A C C 62.28 6.58 9.52 17.65 117.26 -133.73 -93.90 143.34 92.91 4.02 3.07 65.27 24.34 3.38 1.60 1.46 0.00 2.11 1.84 7 P C C 88.58 5.19 10.36 17.17 107.10 -102.64 -67.59 140.14 84.03 2.92 13.05 50.69 11.47 21.45 2.95 10.56 0.00 1.67 1.21 8 E C T 148.08 2.37 11.63 15.14 105.91 -96.35 -80.81 91.68 84.54 2.18 13.28 16.65 15.81 52.05 2.62 10.52 0.01 1.21 1.14 9 G C T 48.25 4.34 12.80 18.38 105.70 -10.81 88.52 -0.27 86.16 3.49 10.35 23.23 19.58 43.85 1.64 8.44 0.01 2.06 1.19 10 I C C 79.76 10.01 9.92 20.77 115.57 120.27 -92.22 127.42 79.16 15.53 5.32 55.30 14.86 8.22 1.82 3.63 0.01 8.19 7.97 11 I C C 101.58 5.82 14.24 21.33 109.63 -164.02 -98.84 85.72 81.74 14.41 3.85 49.44 24.27 8.49 1.50 2.35 0.01 8.47 5.46 12 N C S 94.07 7.04 14.80 22.95 111.97 1.63 -110.44 105.94 94.58 5.20 0.22 44.43 49.88 1.09 0.07 0.13 0.00 3.29 1.12 13 P C C 46.75 10.51 13.12 25.00 117.26 -134.70 -70.27 153.77 98.59 1.28 0.12 88.59 9.76 0.40 0.06 0.04 0.00 0.82 0.34 14 P C C 61.60 5.31 18.33 24.54 111.24 -100.92 -65.79 145.59 93.99 4.83 1.18 92.28 1.46 0.47 0.97 0.16 0.00 1.50 3.15 15 I H H 55.33 15.84 11.87 27.57 93.30 -119.86 -60.24 -38.53 4.72 0.05 95.23 1.73 0.98 2.30 93.03 1.90 0.01 0.02 0.02 16 D H H 94.78 3.56 16.89 21.43 92.07 54.93 -63.99 -39.32 2.22 0.03 97.75 0.51 0.27 1.37 95.58 2.24 0.00 0.02 0.01 17 E H H 104.85 2.34 17.93 19.82 92.09 49.52 -66.56 -39.33 1.15 0.02 98.83 0.29 0.13 0.67 96.24 2.64 0.00 0.02 0.00 18 L H H 26.02 14.39 12.46 27.82 92.32 51.79 -65.05 -41.04 1.30 0.03 98.67 0.32 0.17 0.76 96.85 1.87 0.00 0.02 0.00 19 L H H 53.35 11.98 12.71 25.54 91.72 52.53 -65.85 -34.84 3.58 0.06 96.36 0.74 0.39 2.43 93.46 2.89 0.02 0.04 0.02 20 E H H 150.15 0.98 17.53 17.02 92.22 52.76 -69.44 -29.01 10.90 0.06 89.04 0.87 0.85 9.24 86.50 2.44 0.04 0.03 0.03 21 A H H 68.43 4.01 14.78 19.77 96.61 45.91 -83.80 -26.57 20.27 0.12 79.61 1.43 2.50 16.58 77.70 1.60 0.07 0.04 0.08 22 T C C 36.49 13.26 8.99 22.45 127.92 40.66 -127.31 151.66 74.46 0.77 24.77 45.33 15.15 11.20 26.25 1.20 0.01 0.21 0.66 23 D C S 129.92 0.85 16.61 16.24 95.83 -143.21 -79.27 -8.99 99.02 0.26 0.72 29.75 62.30 7.04 0.47 0.20 0.00 0.11 0.14 24 S C S 45.33 5.68 16.64 23.66 132.58 48.13 -131.03 154.67 97.16 1.26 1.58 34.10 61.44 1.43 1.41 0.24 0.00 0.29 1.09 25 K H H 95.23 12.90 15.20 28.05 92.78 -122.73 -62.79 -36.31 2.40 0.01 97.59 0.39 0.50 1.32 97.43 0.35 0.00 0.00 0.00 26 Y H H 122.99 6.69 19.65 26.92 91.77 54.73 -63.83 -41.25 1.31 0.00 98.69 0.16 0.12 0.92 98.43 0.37 0.00 0.00 0.00 27 S H H 36.19 7.22 21.01 29.34 91.63 50.17 -64.87 -41.16 0.35 0.00 99.65 0.08 0.03 0.20 99.41 0.28 0.00 0.00 0.00 28 L H H 16.93 18.26 18.16 36.70 91.45 51.47 -63.46 -42.96 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.04 0.00 0.00 0.00 29 V H H 33.04 15.21 21.58 36.56 91.64 49.80 -63.83 -42.83 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 I H H 76.12 5.90 25.48 31.49 91.50 49.95 -63.69 -42.76 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 31 Y H H 60.03 10.91 24.21 35.65 91.64 48.93 -64.02 -42.85 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 32 A H H 9.65 19.46 20.81 40.47 91.38 50.78 -63.95 -42.58 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 33 A H H 30.35 11.45 22.94 34.83 91.53 51.64 -63.34 -42.23 0.12 0.00 99.88 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 34 K H H 103.04 4.11 26.46 30.57 91.59 49.76 -64.31 -41.97 0.16 0.00 99.84 0.01 0.01 0.11 99.87 0.01 0.00 0.00 0.00 35 R H H 58.09 13.10 22.69 35.78 92.02 49.63 -65.12 -41.34 0.13 0.00 99.87 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 36 A H H 14.69 17.83 18.54 36.61 91.59 51.92 -62.71 -42.16 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 37 R H H 131.66 3.74 24.05 27.77 91.40 50.56 -63.83 -41.19 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 38 Q H H 89.01 4.54 23.22 27.75 91.62 49.68 -64.49 -41.64 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 39 I H H 24.72 16.55 17.69 34.71 91.75 49.27 -64.06 -42.50 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 40 N H H 60.21 10.08 19.48 30.03 91.57 51.44 -63.43 -41.20 0.78 0.00 99.22 0.09 0.04 0.52 99.23 0.12 0.00 0.00 0.00 41 A H H 54.55 2.40 21.09 22.40 91.52 50.58 -64.03 -41.31 2.02 0.01 97.97 0.22 0.13 1.47 97.81 0.35 0.00 0.00 0.00 42 Y H H 78.61 7.21 17.53 26.17 92.05 49.51 -65.71 -40.98 3.18 0.05 96.77 0.57 0.34 2.16 96.21 0.68 0.01 0.02 0.01 43 Y H H 55.22 12.84 12.83 26.54 92.06 51.64 -65.01 -40.44 5.11 0.16 94.74 1.47 0.73 3.05 93.39 1.21 0.02 0.08 0.04 44 S H H 74.00 2.39 15.37 18.28 92.34 51.76 -66.25 -36.32 9.52 0.16 90.32 1.96 1.04 6.58 88.08 2.15 0.04 0.10 0.05 45 Q H H 131.59 1.40 14.62 15.74 93.59 50.68 -71.18 -31.19 16.10 0.15 83.75 1.97 1.85 12.54 81.21 2.20 0.07 0.07 0.07 46 L H H 85.12 6.23 11.02 18.75 97.17 47.44 -85.85 -9.47 41.61 0.64 57.76 6.92 8.49 27.30 54.13 2.39 0.15 0.23 0.40 47 G C T 51.67 2.57 13.56 17.08 104.39 -117.76 75.02 19.30 79.08 0.83 20.09 28.85 10.10 40.42 13.03 6.71 0.00 0.40 0.49 48 E C T 127.95 4.15 11.70 17.27 105.75 55.09 -87.88 50.45 67.13 1.18 31.69 17.83 14.40 35.18 16.50 14.70 0.04 0.55 0.81 49 G C T 43.24 4.55 14.06 19.69 105.66 34.23 72.42 -24.67 66.24 1.35 32.42 23.87 13.43 29.70 16.40 15.12 0.03 0.64 0.81 50 L C C 81.75 8.21 12.62 21.79 100.36 55.12 -76.12 -20.75 54.17 3.02 42.81 33.83 9.00 11.35 24.50 18.45 0.02 1.76 1.08 51 L H C 74.82 10.60 11.39 22.39 99.16 68.64 -76.02 -21.14 45.33 7.56 47.12 28.65 7.59 9.47 25.56 21.61 0.05 5.46 1.60 52 E C C 124.43 3.85 15.09 20.03 98.70 73.17 -76.74 -21.33 45.58 10.81 43.61 24.87 8.75 12.33 23.63 20.15 0.12 8.28 1.87 53 Y C C 135.52 5.66 13.68 20.46 103.18 52.89 -92.49 11.45 48.69 14.65 36.65 25.30 9.96 14.45 20.27 16.16 0.26 10.87 2.73 54 V C C 67.37 10.67 11.54 22.78 108.90 93.14 -94.56 84.42 65.62 14.42 19.96 37.35 17.18 11.32 15.04 5.37 0.17 9.56 4.01 55 G C C 32.71 7.34 14.34 22.68 123.96 -139.08 -52.41 172.11 82.34 7.53 10.14 46.10 23.39 13.40 5.14 4.98 0.02 4.99 1.98 56 P C C 86.87 4.69 14.61 20.35 100.76 -29.54 -70.34 12.06 78.00 4.21 17.79 34.66 17.81 26.50 7.98 9.14 0.02 2.54 1.35 57 L C C 95.10 7.02 13.10 21.18 100.62 62.92 -80.91 -9.33 65.05 14.83 20.12 31.22 15.27 19.85 9.67 9.87 0.21 9.81 4.10 58 V C C 61.08 11.50 10.77 22.68 110.19 72.30 -95.78 102.15 60.97 18.65 20.37 36.44 14.39 10.81 12.31 8.20 0.18 13.35 4.32 59 D C C 96.78 4.42 14.74 20.32 104.15 65.69 -86.00 62.96 72.07 12.10 15.83 49.37 12.61 9.71 9.76 6.44 0.02 9.83 2.26 60 T C C 74.11 8.22 12.00 21.13 104.46 101.14 -90.73 4.26 72.71 8.43 18.85 45.12 16.87 10.88 11.62 7.51 0.05 5.94 2.01 61 H C C 123.26 4.51 14.33 20.07 105.67 64.54 -88.20 50.42 74.47 7.57 17.95 48.86 15.21 10.29 10.23 8.05 0.03 5.41 1.93 62 V C C 68.49 10.54 11.16 22.35 106.48 70.41 -85.67 76.99 73.65 6.06 20.30 49.11 12.12 12.19 10.02 10.59 0.02 4.18 1.79 63 H C C 105.61 7.70 12.68 21.44 107.16 71.91 -90.73 77.21 80.83 3.35 15.83 48.70 15.25 16.98 7.88 7.89 0.01 2.01 1.29 64 E C C 130.18 3.83 15.17 20.03 101.93 77.66 -83.15 -13.81 84.14 1.97 13.90 40.50 28.85 15.22 7.60 5.86 0.01 0.91 1.05 65 K C C 99.97 6.66 17.22 24.76 114.86 55.89 -99.48 126.45 93.00 1.00 6.00 59.24 30.73 2.66 5.58 0.87 0.00 0.35 0.56 66 P H H 40.53 16.41 15.90 32.18 94.19 -134.20 -60.88 -35.98 19.65 0.26 80.09 7.79 3.32 9.19 77.22 2.22 0.02 0.12 0.12 67 L H H 45.67 16.46 18.90 34.65 92.84 55.40 -65.34 -36.94 12.86 0.20 86.94 4.07 1.75 7.06 84.92 1.99 0.02 0.11 0.08 68 S H H 39.56 6.77 22.23 29.80 91.83 52.81 -64.70 -40.57 7.92 0.44 91.63 4.67 1.00 2.75 88.95 2.19 0.01 0.33 0.10 69 I H H 31.90 11.72 21.73 34.41 91.94 50.76 -64.33 -42.56 0.99 0.04 98.97 0.45 0.12 0.40 98.63 0.37 0.00 0.02 0.00 70 A H H 7.42 20.85 18.80 40.05 91.68 51.21 -63.19 -43.28 0.33 0.02 99.65 0.10 0.03 0.16 99.54 0.16 0.00 0.01 0.00 71 L H H 53.97 11.71 22.22 33.99 91.80 50.27 -63.61 -41.48 0.20 0.04 99.77 0.05 0.02 0.11 99.69 0.12 0.00 0.02 0.00 72 R H H 113.40 4.42 23.69 28.11 91.96 49.98 -64.84 -41.57 0.18 0.08 99.74 0.04 0.01 0.11 99.67 0.11 0.00 0.06 0.00 73 E H H 31.00 13.24 17.88 32.26 91.89 49.23 -64.68 -42.13 0.41 0.13 99.46 0.08 0.03 0.26 99.35 0.17 0.00 0.10 0.00 74 I H H 33.47 16.75 15.09 31.88 91.92 49.47 -63.98 -43.02 0.84 0.10 99.05 0.11 0.05 0.63 98.76 0.36 0.00 0.08 0.00 75 N H H 108.56 3.65 17.43 22.15 90.56 51.16 -64.58 -32.23 5.57 0.04 94.39 0.20 0.18 5.20 93.96 0.43 0.01 0.02 0.01 76 A C T 69.28 3.33 16.10 20.17 91.59 53.56 -83.11 -7.57 81.39 0.03 18.58 0.27 0.92 79.22 19.02 0.53 0.00 0.01 0.03 77 G C T 48.14 5.08 15.67 22.16 93.83 -114.92 77.60 15.45 99.63 0.02 0.35 0.67 1.43 97.68 0.16 0.05 0.00 0.01 0.00 78 L C S 62.86 9.91 16.08 27.32 94.92 128.03 -82.52 -18.33 98.08 1.62 0.30 40.86 55.08 2.42 0.09 0.19 0.00 1.06 0.30 79 L E E 21.25 21.75 11.95 33.06 126.68 47.00 -124.04 139.58 47.93 51.56 0.51 27.77 20.80 2.40 0.17 0.41 0.00 44.54 3.90 80 T E E 67.02 5.58 22.70 29.08 130.29 -173.87 -130.11 148.62 28.96 70.78 0.26 25.78 2.76 0.45 0.08 0.17 0.00 69.43 1.33 81 S E E 45.39 17.55 12.67 29.30 124.91 -154.09 -120.67 138.64 25.43 74.20 0.37 22.09 3.29 0.47 0.10 0.22 0.00 72.69 1.13 82 E E E 112.83 3.93 17.83 23.09 125.05 -169.75 -123.18 140.82 29.02 70.60 0.38 25.18 3.39 0.48 0.10 0.23 0.00 69.57 1.04 83 A E E 70.31 6.59 13.24 21.51 114.20 -111.45 -73.99 136.40 42.12 57.13 0.74 38.83 2.16 0.59 0.23 0.40 0.00 56.56 1.23 84 I C C 75.79 10.21 9.03 20.18 115.70 -150.32 -98.03 131.70 73.78 24.69 1.53 61.71 8.44 2.82 0.44 1.10 0.00 23.52 1.98 85 E C C 157.04 1.15 11.89 13.46 112.70 -145.81 -92.47 122.16 87.82 10.54 1.64 55.74 26.86 5.56 0.37 1.28 0.00 8.61 1.58 86 G C C 43.57 3.90 9.74 15.27 126.63 65.02 -137.18 173.22 95.08 3.30 1.62 52.07 37.86 5.48 0.36 1.20 0.00 2.29 0.74 87 P C C 108.31 2.16 10.24 13.62 111.02 -76.00 -70.94 146.37 93.62 2.12 4.26 65.97 14.13 13.26 0.84 3.75 0.00 1.39 0.67 88 A C C 83.41 3.01 7.45 12.43 109.71 -105.56 -76.32 136.01 94.68 1.43 3.90 86.01 1.59 7.93 0.95 2.14 0.00 0.87 0.52 89 Q C C 141.31 1.94 10.25 13.68 108.13 -131.73 -84.39 114.54 99.84 0.10 0.06 99.64 0.14 0.12 0.02 0.01 0.00 0.05 0.02