# 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 115.83 5.71 11.41 18.70 114.15 -152.05 -93.60 129.01 99.79 0.16 0.04 99.70 0.11 0.07 0.01 0.00 0.00 0.08 0.03 1 A C C 78.80 4.23 9.38 15.29 113.24 -151.93 -91.28 131.73 90.33 3.30 6.37 78.64 1.83 10.92 2.60 2.59 0.00 2.21 1.20 2 G C C 53.12 3.16 10.15 14.82 113.23 34.10 -124.03 161.93 86.29 4.89 8.82 48.15 18.08 20.67 2.58 5.84 0.00 3.15 1.52 3 L C C 117.94 3.95 9.32 14.91 111.97 -113.47 -90.51 122.04 78.70 10.23 11.07 55.61 14.05 9.08 3.72 7.40 0.01 7.59 2.55 4 L C C 112.00 4.56 9.84 16.20 113.10 -149.72 -94.66 126.61 74.93 15.67 9.40 53.88 12.91 7.75 3.71 5.78 0.01 12.17 3.77 5 K C C 126.06 5.58 11.12 18.46 119.52 -157.25 -106.43 134.06 75.00 18.81 6.18 55.82 12.70 5.85 2.61 3.71 0.01 15.15 4.15 6 K C C 137.39 4.18 13.13 19.23 117.64 -145.63 -100.11 135.00 77.25 20.25 2.50 62.97 10.74 2.60 1.26 1.39 0.01 16.10 4.93 7 T C C 66.64 10.53 9.72 20.88 119.31 -150.68 -102.47 143.91 78.37 19.96 1.67 67.72 7.46 2.07 0.86 0.89 0.00 14.45 6.55 8 T C C 90.80 4.81 13.89 20.02 109.77 -162.14 -102.93 59.72 80.85 15.75 3.41 50.48 21.82 8.91 1.36 2.05 0.02 9.18 6.18 9 G C S 46.70 5.67 14.94 21.49 108.25 -53.57 80.98 -83.17 86.77 4.20 9.02 15.84 40.77 31.24 2.11 5.93 0.02 2.53 1.58 10 L C T 82.26 11.29 12.61 23.94 106.74 12.93 -93.07 59.24 78.85 9.01 12.14 21.51 27.63 30.73 3.08 8.18 0.07 5.36 3.44 11 V C T 88.66 7.56 14.23 22.91 110.91 -126.76 -79.06 125.07 77.72 10.73 11.54 14.11 16.79 46.96 3.25 7.95 0.12 7.31 3.51 12 G C T 47.93 5.45 17.13 23.42 98.38 14.30 84.32 -1.63 80.10 12.45 7.45 20.71 18.86 41.71 1.77 5.25 0.03 9.46 2.19 13 L C C 54.49 14.11 13.47 27.93 117.30 118.65 -88.00 134.19 65.82 29.22 4.96 50.47 9.74 4.56 2.20 3.01 0.02 23.41 6.60 14 A C C 53.03 9.18 18.98 28.57 111.77 -117.63 -77.07 134.07 56.26 39.33 4.41 43.04 8.14 4.21 2.53 2.33 0.04 32.98 6.72 15 V C C 58.85 14.55 16.10 30.38 116.23 -143.16 -102.00 131.00 61.78 35.05 3.17 44.54 12.00 4.23 1.74 1.85 0.04 26.83 8.78 16 C C C 28.21 15.29 13.58 29.29 124.04 -150.56 -112.13 144.96 77.57 21.33 1.10 69.62 6.15 1.25 0.67 0.52 0.00 15.67 6.12 17 E C S 146.36 2.27 18.58 21.39 95.05 -136.64 -71.47 -26.01 99.31 0.46 0.23 6.20 91.31 2.00 0.08 0.06 0.00 0.23 0.12 18 T C C 62.62 6.73 18.70 26.32 110.98 26.35 -127.50 84.38 99.07 0.47 0.46 52.68 45.34 1.12 0.31 0.11 0.00 0.15 0.29 19 P H H 13.96 21.19 14.63 36.09 93.15 171.91 -62.24 -36.50 5.65 0.03 94.32 1.97 0.89 2.81 92.46 1.83 0.00 0.01 0.01 20 H H H 52.00 16.63 18.58 34.58 91.55 55.41 -62.91 -41.03 2.43 0.01 97.56 0.31 0.21 1.77 95.88 1.81 0.00 0.00 0.00 21 E H H 101.31 3.33 23.62 26.33 91.89 49.66 -65.70 -40.46 1.24 0.01 98.75 0.24 0.11 0.79 96.94 1.92 0.00 0.01 0.00 22 R H H 80.90 10.11 20.97 31.45 91.80 49.43 -65.10 -41.45 0.73 0.00 99.27 0.18 0.07 0.37 98.99 0.40 0.00 0.00 0.00 23 L H H 5.74 24.24 16.89 41.13 91.76 49.87 -64.73 -41.95 0.35 0.00 99.65 0.06 0.02 0.18 99.64 0.10 0.00 0.00 0.00 24 K H H 85.23 11.67 21.26 32.65 91.28 52.34 -62.48 -41.49 0.14 0.00 99.86 0.01 0.00 0.08 99.85 0.06 0.00 0.00 0.00 25 I H H 85.85 3.32 24.09 26.65 91.71 49.52 -64.32 -42.50 0.10 0.00 99.90 0.01 0.00 0.07 99.87 0.06 0.00 0.00 0.00 26 L H H 27.29 14.82 20.75 35.86 91.69 49.03 -64.39 -42.41 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 27 Y H H 20.39 21.15 18.35 39.10 91.93 50.34 -64.36 -41.35 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 28 T H H 60.98 6.19 22.39 28.99 91.51 51.52 -63.98 -41.02 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 29 K H H 98.95 4.58 23.27 27.79 91.75 50.26 -64.97 -41.28 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 30 I H H 14.51 19.54 18.60 38.07 91.94 49.44 -64.70 -42.91 0.23 0.00 99.77 0.01 0.01 0.15 99.77 0.06 0.00 0.00 0.00 31 L H H 36.98 15.20 19.05 34.27 91.53 50.86 -63.40 -40.68 0.21 0.00 99.79 0.01 0.01 0.14 99.70 0.14 0.00 0.00 0.00 32 D H H 91.67 2.07 23.45 24.15 91.89 50.73 -64.48 -40.62 0.63 0.00 99.37 0.03 0.02 0.51 98.86 0.57 0.00 0.00 0.00 33 V H H 37.44 10.14 18.96 30.37 92.02 49.26 -65.66 -41.17 1.28 0.00 98.72 0.06 0.05 1.09 97.10 1.70 0.00 0.00 0.00 34 L H H 16.07 21.25 13.45 34.48 91.53 53.16 -65.32 -34.90 2.28 0.00 97.71 0.11 0.11 1.97 91.82 5.99 0.00 0.00 0.00 35 G H H 45.96 5.60 17.81 24.67 90.77 60.32 -67.58 -20.67 38.69 0.02 61.29 0.41 0.70 39.68 53.41 5.76 0.01 0.01 0.02 36 H C T 146.21 1.60 18.83 19.66 94.78 53.38 -89.69 -7.93 67.60 0.03 32.37 0.89 1.98 66.55 24.98 5.55 0.00 0.01 0.04 37 I C S 31.39 18.31 7.33 24.50 117.97 98.37 -79.36 140.70 99.78 0.11 0.11 10.28 89.33 0.21 0.06 0.01 0.00 0.02 0.08 38 P C C 69.60 3.39 16.48 20.58 113.10 -103.22 -62.90 143.66 99.76 0.14 0.10 99.17 0.48 0.16 0.02 0.03 0.00 0.04 0.10 39 K C T 145.18 5.31 10.94 18.44 91.83 -122.46 -61.39 -28.29 99.49 0.07 0.44 2.04 9.27 88.22 0.06 0.33 0.00 0.04 0.04 40 N C T 132.67 0.88 15.40 15.09 94.64 57.60 -89.05 2.12 99.44 0.07 0.50 2.18 8.29 88.98 0.06 0.42 0.00 0.04 0.03 41 A C S 26.85 10.76 9.36 21.92 119.19 112.90 -78.63 150.74 95.33 1.01 3.65 13.64 81.13 0.71 3.10 0.20 0.00 0.10 1.12 42 A H H 66.93 3.29 17.89 21.63 91.57 -119.69 -60.53 -36.09 6.59 0.01 93.41 0.28 0.75 5.83 92.14 0.98 0.01 0.00 0.00 43 Y H H 63.63 13.43 15.47 29.33 92.16 52.94 -65.35 -39.02 3.45 0.00 96.55 0.23 0.24 2.88 95.49 1.15 0.00 0.00 0.00 44 R H H 64.91 14.45 15.32 29.81 91.60 53.39 -63.18 -41.38 0.46 0.00 99.54 0.08 0.04 0.27 99.11 0.50 0.00 0.00 0.00 45 K H H 125.89 2.27 21.99 23.50 91.80 50.08 -64.84 -41.20 0.26 0.00 99.74 0.04 0.02 0.15 99.65 0.14 0.00 0.00 0.00 46 Y H H 99.43 6.05 21.48 27.93 92.07 48.73 -65.78 -41.63 0.27 0.00 99.73 0.04 0.01 0.17 99.70 0.08 0.00 0.00 0.00 47 T H H 10.54 19.85 16.40 36.38 92.08 49.41 -65.17 -41.85 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 48 E H H 69.30 10.93 20.13 31.36 91.63 51.87 -62.81 -41.58 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 Q H H 102.20 2.22 24.49 25.08 91.81 49.97 -64.51 -41.55 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 50 I H H 38.72 11.87 20.88 33.48 91.95 48.84 -64.75 -42.56 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 51 T H H 10.81 20.69 17.14 37.81 91.74 49.83 -64.09 -42.54 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 52 N H H 82.87 5.10 23.16 28.48 91.51 50.82 -64.08 -40.71 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 53 E H H 98.88 3.47 23.94 26.76 91.67 49.88 -64.72 -41.61 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 54 K H H 32.83 17.73 19.27 36.58 92.04 49.74 -64.71 -41.87 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 55 L H H 34.27 15.87 19.00 34.85 91.53 51.63 -62.76 -41.39 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 56 S H H 61.31 2.24 24.19 24.80 91.31 50.99 -63.77 -40.95 0.16 0.00 99.84 0.01 0.00 0.12 99.83 0.03 0.00 0.00 0.00 57 I H H 46.02 8.88 19.76 29.97 91.79 50.05 -64.60 -42.24 0.16 0.00 99.84 0.01 0.01 0.12 99.77 0.09 0.00 0.00 0.00 58 V H H 10.48 21.74 13.29 34.93 91.82 50.81 -65.04 -40.06 0.40 0.00 99.60 0.02 0.02 0.32 99.26 0.38 0.00 0.00 0.00 59 K H H 128.98 5.02 18.86 25.11 91.51 51.91 -67.64 -30.63 5.03 0.00 94.97 0.09 0.12 5.00 94.31 0.48 0.00 0.00 0.00 60 A H H 79.50 1.76 18.62 19.38 94.94 46.86 -82.08 -22.48 19.53 0.02 80.45 0.56 1.19 17.56 80.07 0.58 0.01 0.01 0.02 61 E C C 60.52 11.73 11.57 24.20 116.11 39.21 -127.34 101.81 99.21 0.17 0.62 73.77 24.54 0.81 0.58 0.08 0.00 0.04 0.19 62 P C S 95.84 5.26 15.18 22.43 94.77 -171.76 -73.35 -17.63 99.71 0.16 0.13 42.76 55.75 1.23 0.05 0.05 0.00 0.06 0.09 63 D C C 75.61 4.57 18.88 24.28 111.25 87.70 -93.01 117.28 97.86 1.52 0.62 61.44 35.39 0.70 0.47 0.12 0.00 0.25 1.62 64 V H H 36.21 18.97 11.93 30.52 93.13 -155.28 -62.97 -36.16 5.84 0.04 94.12 1.44 1.24 3.27 91.65 2.34 0.01 0.02 0.02 65 K H H 130.30 3.37 19.10 23.28 91.52 56.34 -62.97 -41.04 3.71 0.03 96.26 0.61 0.43 2.61 94.19 2.12 0.01 0.01 0.01 66 K H H 102.36 2.98 20.73 23.20 91.97 48.49 -65.55 -40.11 2.11 0.05 97.84 0.66 0.30 1.17 95.29 2.53 0.01 0.04 0.01 67 L H H 9.11 18.70 13.61 33.16 91.93 51.01 -64.05 -43.08 1.23 0.04 98.73 0.44 0.20 0.63 97.53 1.17 0.00 0.03 0.01 68 E H H 40.06 14.26 15.06 29.93 91.82 51.60 -63.38 -41.50 1.60 0.05 98.35 0.45 0.22 0.94 97.02 1.32 0.01 0.03 0.01 69 E H H 139.07 1.24 20.26 19.87 92.01 50.78 -64.85 -38.86 3.52 0.03 96.45 0.40 0.28 2.87 94.67 1.74 0.01 0.02 0.01 70 Q H H 97.56 6.11 17.26 24.28 92.44 50.26 -71.00 -31.79 7.75 0.03 92.21 0.29 0.56 7.24 90.70 1.14 0.03 0.01 0.02 71 L H H 27.65 17.71 10.62 27.91 98.28 44.43 -96.78 3.43 49.57 0.45 49.98 4.02 12.54 31.86 49.19 1.78 0.11 0.11 0.38 72 Q C T 144.58 1.63 18.02 19.57 94.90 -119.00 57.03 42.42 87.10 0.48 12.42 11.66 6.47 69.19 2.98 9.06 0.00 0.21 0.43 73 G C T 47.88 5.90 14.74 21.95 94.26 -41.26 73.13 8.89 85.21 0.22 14.57 2.28 8.28 74.23 1.58 13.32 0.00 0.11 0.20 74 G C T 33.21 9.76 15.96 26.19 98.49 -76.65 83.67 3.95 84.86 0.85 14.29 13.25 24.40 46.69 1.75 12.94 0.00 0.37 0.59 75 Q C C 76.53 7.34 20.63 28.54 111.66 131.72 -84.86 122.16 88.63 4.16 7.21 78.77 7.61 1.47 5.97 1.29 0.00 1.01 3.89 76 I H H 29.70 20.80 14.47 34.61 94.25 -148.13 -62.67 -40.58 1.57 0.00 98.43 0.34 0.21 0.83 98.03 0.58 0.00 0.00 0.00 77 E H H 101.84 6.54 21.62 28.70 91.76 54.14 -63.34 -40.55 0.46 0.00 99.54 0.05 0.02 0.31 98.95 0.67 0.00 0.00 0.00 78 E H H 86.91 4.70 23.04 27.81 91.70 48.83 -65.60 -40.77 0.18 0.00 99.82 0.02 0.01 0.12 99.18 0.67 0.00 0.00 0.00 79 V H H 8.71 20.26 17.34 37.91 91.96 50.16 -63.96 -43.28 0.09 0.00 99.91 0.01 0.00 0.05 99.87 0.07 0.00 0.00 0.00 80 I H H 33.32 16.74 20.18 36.54 91.76 50.19 -63.54 -42.75 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 81 L H H 82.56 3.78 24.26 27.68 91.49 49.67 -63.72 -42.34 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 82 Q H H 65.41 8.46 22.48 31.38 91.81 49.37 -64.84 -41.59 0.11 0.00 99.89 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 83 A H H 7.34 20.11 17.39 37.92 91.76 50.87 -64.06 -41.95 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 84 E H H 87.97 7.55 22.82 30.75 91.62 51.15 -63.19 -41.46 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 85 N H H 83.36 3.43 23.76 26.63 91.84 49.61 -64.72 -41.04 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 86 E H H 42.44 14.42 19.20 33.89 92.14 50.55 -64.89 -41.38 0.28 0.00 99.72 0.02 0.01 0.19 99.72 0.05 0.00 0.00 0.00 87 L H H 45.26 13.36 19.11 32.72 91.97 50.96 -64.10 -40.96 0.26 0.00 99.74 0.02 0.01 0.17 99.73 0.06 0.00 0.00 0.00 88 S H H 55.56 3.04 22.31 24.72 91.60 50.69 -63.98 -41.75 0.61 0.00 99.39 0.04 0.02 0.46 99.39 0.09 0.00 0.00 0.00 89 L H H 59.44 7.31 19.67 27.91 91.91 49.88 -65.00 -40.98 0.70 0.00 99.30 0.04 0.03 0.54 99.29 0.10 0.00 0.00 0.00 90 A H H 19.26 14.37 15.73 31.16 91.84 51.95 -63.33 -41.45 0.31 0.00 99.69 0.03 0.02 0.18 99.66 0.10 0.00 0.00 0.00 91 R H H 121.14 4.18 19.90 24.57 91.70 51.28 -63.78 -40.21 0.52 0.00 99.48 0.04 0.02 0.36 99.17 0.41 0.00 0.00 0.00 92 K H H 111.39 2.99 18.78 21.72 91.89 50.48 -65.07 -39.63 1.06 0.00 98.94 0.07 0.04 0.83 98.00 1.06 0.00 0.00 0.00 93 M H H 53.92 12.73 13.41 26.84 92.60 51.34 -67.27 -33.74 2.56 0.00 97.44 0.16 0.13 2.13 94.74 2.84 0.00 0.00 0.00 94 I H H 84.80 9.02 13.99 23.90 92.32 55.56 -69.06 -28.73 24.14 0.02 75.84 0.47 0.67 23.48 71.98 3.34 0.02 0.01 0.02 95 Q C T 142.50 0.98 16.84 16.29 95.40 49.09 -87.85 -8.20 54.25 0.04 45.71 1.05 1.74 50.99 43.63 2.53 0.01 0.01 0.04 96 W C C 104.55 9.38 8.94 19.64 116.13 94.97 -80.74 137.78 93.50 0.65 5.85 50.90 37.85 4.43 4.96 0.91 0.00 0.14 0.81 97 K C C 131.45 3.48 14.77 19.48 111.77 -147.29 -96.00 115.31 98.45 0.74 0.81 95.02 2.55 0.92 0.26 0.41 0.00 0.26 0.59 98 P C T 64.39 11.94 10.47 22.87 95.39 -137.08 -66.44 -18.34 97.29 0.62 2.09 19.07 13.80 64.11 0.21 2.20 0.00 0.33 0.30 99 W C T 152.77 6.46 12.48 19.83 99.32 49.12 -92.73 11.12 96.35 1.34 2.31 17.02 15.19 63.84 0.25 2.40 0.00 0.74 0.55 100 E C S 109.22 4.14 12.14 17.98 117.32 112.27 -87.53 140.56 97.72 1.69 0.58 46.60 50.26 1.09 0.15 0.37 0.00 0.69 0.84 101 P C C 97.87 3.62 11.57 16.93 113.77 -100.89 -66.37 146.03 96.81 2.00 1.19 88.13 5.91 2.74 0.27 0.93 0.00 1.14 0.88 102 L C C 100.72 7.26 8.31 16.90 109.56 -112.10 -77.11 130.22 91.77 6.47 1.76 80.87 7.61 2.77 0.51 1.31 0.00 3.03 3.90 103 V C C 109.95 3.28 9.48 14.38 110.52 -146.01 -95.93 98.51 91.90 6.54 1.55 74.63 14.06 2.84 0.50 1.09 0.00 3.22 3.64 104 E C C 139.99 2.15 10.02 13.70 118.30 23.69 -98.93 143.08 94.94 4.13 0.93 65.84 27.10 2.27 0.27 0.61 0.00 1.97 1.92 105 E C C 154.25 1.44 11.55 14.03 114.09 -100.43 -80.53 134.36 98.95 0.97 0.08 87.97 10.86 0.21 0.03 0.04 0.00 0.43 0.45 106 P C C 66.69 10.19 6.99 17.72 116.74 -108.25 -65.72 150.12 99.85 0.13 0.02 98.62 1.20 0.07 0.01 0.01 0.00 0.05 0.06 107 P C C 83.55 2.97 10.82 15.38 115.00 -102.25 -64.28 151.59 99.50 0.22 0.28 98.01 1.02 0.54 0.06 0.14 0.00 0.07 0.16 108 A C T 96.89 0.99 10.36 11.83 108.31 -97.84 -65.11 142.36 97.74 0.25 2.01 8.80 18.63 70.03 0.18 2.05 0.00 0.12 0.18 109 S C T 87.55 2.11 9.79 13.13 98.16 16.11 40.60 31.73 97.22 0.47 2.31 16.93 12.17 67.86 0.32 2.22 0.00 0.24 0.26 110 Q C C 105.66 4.95 8.92 15.73 99.68 147.32 -76.73 -13.36 92.51 1.57 5.92 43.39 19.59 28.46 0.73 6.20 0.00 0.68 0.95 111 W C C 143.46 6.69 8.32 16.19 110.16 51.36 -97.43 92.48 93.27 2.28 4.45 47.70 16.91 28.11 0.64 4.34 0.00 1.04 1.27 112 K C C 145.61 1.90 10.88 14.22 117.62 147.19 -98.41 138.83 93.84 3.55 2.61 67.84 20.78 4.75 0.63 2.08 0.00 1.42 2.49 113 W C C 171.45 4.22 7.19 13.39 114.82 -109.25 -79.59 140.65 97.61 1.64 0.75 56.06 34.12 7.43 0.17 0.60 0.00 0.75 0.86 114 P C C 105.89 2.20 8.74 12.35 108.94 -3.05 -72.52 130.00 99.21 0.45 0.34 88.76 3.89 6.63 0.08 0.20 0.00 0.24 0.20 115 I C C 121.51 3.49 9.70 14.90 108.00 -137.65 -86.95 116.35 99.91 0.08 0.01 99.79 0.12 0.04 0.00 0.00 0.00 0.03 0.01