# 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 106.01 6.93 12.69 20.75 114.81 -156.61 -95.43 131.87 99.92 0.04 0.04 99.84 0.07 0.04 0.02 0.00 0.00 0.02 0.01 1 A C C 66.78 5.85 9.78 17.20 112.66 -134.70 -81.23 142.55 87.52 1.54 10.94 84.13 0.82 3.57 8.73 1.32 0.00 0.77 0.65 2 K C C 146.67 2.62 10.59 14.80 109.43 -139.77 -85.86 126.01 81.53 2.73 15.74 62.88 11.24 6.64 13.50 3.20 0.00 1.47 1.07 3 K C C 131.87 4.11 10.55 16.44 112.67 -126.51 -87.59 129.23 76.48 3.67 19.85 60.55 9.54 5.54 17.22 3.75 0.00 2.11 1.28 4 V C C 83.05 7.16 10.17 18.72 112.53 -146.64 -95.12 128.03 74.36 3.07 22.57 60.79 7.44 5.02 20.82 3.17 0.00 1.73 1.03 5 K C C 124.36 5.35 12.09 18.97 110.65 -136.54 -85.30 124.03 66.03 1.81 32.16 49.59 8.68 6.52 30.18 3.45 0.00 0.93 0.64 6 S C H 69.42 5.16 12.76 19.26 105.52 -133.35 -77.80 58.55 55.89 1.22 42.90 36.21 9.38 10.11 38.51 4.72 0.01 0.61 0.46 7 K H H 121.11 5.99 14.63 21.64 100.08 59.87 -77.38 -20.50 46.73 1.03 52.24 27.75 9.40 10.50 46.59 4.84 0.01 0.50 0.41 8 V H H 59.64 12.45 13.06 25.65 102.84 72.20 -83.12 -4.90 36.44 0.83 62.73 22.83 7.23 7.53 58.08 3.63 0.01 0.37 0.32 9 D H H 78.10 6.38 17.10 24.21 99.52 73.00 -73.13 -33.52 29.97 0.54 69.48 19.74 5.16 5.62 66.95 2.09 0.00 0.24 0.20 10 T H H 62.49 6.89 19.60 26.92 98.32 50.27 -71.33 -39.33 24.13 0.50 75.37 15.57 3.71 5.62 72.89 1.79 0.00 0.23 0.19 11 I H H 17.48 21.11 16.49 36.91 93.40 50.70 -65.45 -42.39 7.46 0.12 92.41 3.60 1.32 2.90 91.06 1.00 0.01 0.05 0.05 12 N H H 52.66 14.25 19.29 33.15 91.99 52.63 -63.16 -41.16 4.47 0.05 95.48 1.99 0.70 1.91 94.70 0.65 0.01 0.02 0.02 13 T H H 74.99 2.65 23.74 25.16 91.92 49.72 -64.85 -41.19 3.80 0.03 96.17 1.30 0.49 1.95 95.72 0.50 0.00 0.01 0.01 14 K H H 59.31 12.88 21.03 33.82 92.00 49.98 -65.38 -42.00 1.57 0.01 98.42 0.44 0.18 0.91 98.22 0.24 0.00 0.00 0.00 15 I H H 4.46 25.42 16.44 42.12 91.42 50.03 -64.10 -42.29 0.43 0.00 99.57 0.12 0.04 0.21 99.56 0.07 0.00 0.00 0.00 16 Q H H 85.57 7.52 22.34 30.30 91.19 52.37 -62.37 -41.24 0.26 0.00 99.74 0.06 0.02 0.13 99.73 0.06 0.00 0.00 0.00 17 L H H 77.14 3.71 22.97 26.33 91.63 50.52 -64.01 -42.00 0.29 0.00 99.71 0.06 0.02 0.17 99.67 0.08 0.00 0.00 0.00 18 V H H 12.28 18.20 16.07 34.88 92.13 49.66 -64.53 -42.35 0.48 0.01 99.51 0.09 0.03 0.29 99.44 0.14 0.00 0.00 0.00 19 M H H 54.34 16.97 15.26 31.48 92.03 50.45 -64.42 -39.85 1.43 0.02 98.55 0.19 0.09 1.01 98.21 0.47 0.01 0.01 0.00 20 K H H 156.31 1.42 19.19 20.00 91.40 52.25 -66.51 -30.43 6.87 0.02 93.11 0.32 0.32 6.09 92.74 0.50 0.01 0.01 0.01 21 S H H 65.88 4.56 16.58 21.94 93.71 49.41 -83.55 -10.14 38.39 0.08 61.53 1.06 2.45 33.69 61.92 0.78 0.03 0.02 0.05 22 G C T 35.75 9.46 16.48 26.61 98.22 -110.08 83.41 6.71 99.11 0.56 0.33 7.02 34.51 57.67 0.07 0.18 0.00 0.46 0.08 23 K C C 95.80 10.00 20.69 30.75 106.42 106.46 -97.41 14.96 67.45 32.25 0.29 47.62 17.04 1.34 0.04 0.26 0.00 33.19 0.51 24 Y E E 36.37 21.52 17.04 37.75 126.98 70.13 -119.13 140.43 10.93 88.90 0.17 9.46 1.47 0.19 0.07 0.10 0.00 87.70 1.01 25 V E E 25.22 15.97 23.24 39.34 121.32 -160.13 -116.55 131.46 6.21 93.75 0.04 6.41 0.17 0.02 0.02 0.01 0.00 92.22 1.14 26 L E E 50.13 16.69 22.88 38.47 120.22 -157.08 -109.69 131.13 25.19 74.78 0.03 21.48 3.05 0.09 0.01 0.02 0.00 74.70 0.66 27 G C S 15.22 10.87 25.33 37.33 123.45 19.11 96.16 154.84 94.54 2.34 3.12 16.94 74.98 2.40 3.63 0.27 0.00 1.14 0.63 28 T H H 25.64 21.66 16.81 37.54 92.02 -91.71 -61.11 -39.54 2.08 0.00 97.92 0.21 0.44 1.23 97.85 0.25 0.00 0.00 0.00 29 Q H H 115.27 4.15 23.92 28.65 91.59 51.83 -63.35 -41.63 0.82 0.00 99.18 0.06 0.07 0.60 99.03 0.24 0.00 0.00 0.00 30 Q H H 77.91 6.91 23.81 30.94 91.87 47.79 -66.15 -40.17 0.26 0.00 99.74 0.03 0.02 0.16 99.59 0.19 0.00 0.00 0.00 31 S H H 1.61 26.13 16.75 43.51 91.14 50.88 -63.39 -43.55 0.11 0.00 99.89 0.01 0.01 0.06 99.88 0.04 0.00 0.00 0.00 32 L H H 26.83 18.30 21.79 39.37 91.28 50.03 -63.40 -42.56 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 33 K H H 111.02 2.58 26.37 27.79 91.63 50.51 -63.78 -42.22 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 34 T H H 17.92 13.26 20.06 34.52 91.48 49.67 -64.12 -42.54 0.11 0.00 99.89 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 35 L H H 4.94 25.16 14.79 40.12 91.30 49.76 -63.72 -42.93 0.26 0.00 99.74 0.01 0.01 0.22 99.58 0.19 0.00 0.00 0.00 36 R H H 125.94 8.64 19.43 28.75 91.18 51.13 -64.48 -34.00 2.52 0.00 97.48 0.03 0.05 2.57 97.12 0.23 0.00 0.00 0.00 37 Q C T 118.79 2.28 20.24 21.85 92.12 52.24 -83.88 -5.57 74.56 0.01 25.43 0.16 0.71 73.46 25.23 0.43 0.00 0.00 0.01 38 G C T 38.16 11.18 15.31 26.86 95.09 -112.39 79.10 11.71 99.77 0.00 0.22 0.52 1.79 97.56 0.09 0.03 0.00 0.00 0.00 39 R C C 130.02 5.27 21.89 27.85 95.19 123.03 -84.11 -16.09 99.65 0.29 0.06 55.43 43.27 0.99 0.02 0.04 0.00 0.10 0.15 40 S C C 6.21 24.31 13.33 37.39 123.85 65.21 -108.21 143.59 94.09 5.86 0.04 86.17 7.29 0.40 0.00 0.06 0.00 5.80 0.27 41 K C S 88.11 10.16 26.47 37.55 100.16 -170.31 -96.47 -25.00 92.78 7.21 0.01 13.07 79.49 0.21 0.00 0.00 0.00 7.14 0.09 42 L E E 10.40 21.53 26.25 46.99 134.56 21.61 -142.33 141.86 1.96 98.04 0.00 1.42 0.44 0.02 0.00 0.00 0.00 98.07 0.05 43 V E E 1.15 27.00 27.15 53.95 121.49 -163.20 -118.86 128.43 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 44 V E E 1.72 25.91 29.21 54.52 117.41 -162.05 -110.16 124.71 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 45 I E E 4.60 24.49 26.65 50.07 130.00 -176.63 -125.82 146.06 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 46 S E E 5.45 21.60 20.87 42.84 114.85 -114.49 -73.08 144.71 22.14 77.84 0.01 21.33 0.51 0.03 0.00 0.01 0.00 77.87 0.24 47 A C T 49.69 11.07 21.59 33.19 93.00 -124.52 -65.45 -24.08 93.35 6.25 0.40 2.97 22.37 68.53 0.02 0.43 0.00 5.35 0.33 48 N C T 98.58 4.72 22.38 27.90 94.94 58.72 -90.87 6.26 98.35 1.38 0.27 6.08 28.14 64.15 0.01 0.34 0.00 1.12 0.15 49 C C S 10.88 23.49 8.78 31.14 118.25 119.28 -75.32 143.85 98.64 1.27 0.10 46.46 52.15 0.18 0.04 0.03 0.00 0.35 0.79 50 P C C 60.95 4.38 18.44 23.61 114.32 -102.62 -63.38 148.81 99.88 0.05 0.07 99.53 0.33 0.04 0.04 0.00 0.00 0.01 0.03 51 P H H 100.51 3.57 14.08 19.46 91.70 -111.17 -57.49 -37.99 4.69 0.01 95.31 0.71 0.60 3.11 93.41 2.15 0.00 0.00 0.00 52 I H H 118.51 1.66 17.61 18.70 91.71 54.30 -64.29 -38.90 2.93 0.01 97.06 0.39 0.28 2.11 94.45 2.76 0.01 0.00 0.00 53 R H H 62.82 14.74 15.46 30.08 92.46 48.31 -68.06 -38.83 1.67 0.02 98.31 0.46 0.19 0.94 95.51 2.88 0.00 0.01 0.00 54 K H H 61.13 16.89 15.79 31.87 91.55 53.77 -61.72 -42.45 1.18 0.01 98.81 0.30 0.12 0.61 98.24 0.72 0.00 0.00 0.00 55 A H H 59.12 2.40 23.12 24.14 91.49 51.30 -63.63 -41.21 2.14 0.01 97.86 0.22 0.12 1.57 97.31 0.78 0.00 0.00 0.00 56 E H H 76.63 7.44 22.27 30.14 91.60 49.89 -64.68 -41.18 1.90 0.01 98.10 0.21 0.11 1.41 97.83 0.44 0.00 0.00 0.00 57 I H H 2.42 26.41 15.62 42.63 91.33 49.74 -64.32 -42.56 0.27 0.00 99.73 0.05 0.02 0.13 99.74 0.06 0.00 0.00 0.00 58 E H H 80.76 12.15 21.44 33.13 91.36 52.20 -62.06 -42.02 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 59 Y H H 132.14 1.96 24.74 24.60 91.60 49.75 -63.66 -42.26 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.04 0.00 0.00 0.00 60 Y H H 42.67 13.95 20.09 34.49 92.18 48.88 -64.80 -42.43 0.14 0.00 99.86 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 61 C H H 5.68 22.69 13.70 36.49 91.71 50.42 -63.71 -42.06 0.50 0.00 99.50 0.04 0.03 0.36 99.41 0.16 0.00 0.00 0.00 62 T H H 88.64 3.50 19.73 23.91 92.02 49.58 -64.67 -40.20 1.96 0.00 98.04 0.09 0.09 1.67 97.71 0.45 0.00 0.00 0.00 63 L H H 108.71 3.15 19.01 22.34 91.96 50.65 -66.75 -34.59 6.48 0.00 93.52 0.20 0.34 5.72 93.28 0.44 0.01 0.00 0.00 64 S H H 28.84 14.79 13.99 29.16 94.99 46.67 -88.53 -2.95 43.57 0.10 56.34 2.04 4.98 34.67 57.30 0.89 0.02 0.03 0.08 65 K C T 163.21 1.62 20.65 22.01 93.81 -124.73 59.00 38.35 99.70 0.04 0.25 15.66 5.06 79.07 0.11 0.07 0.00 0.02 0.01 66 T C C 16.26 21.27 12.22 33.10 122.48 142.58 -107.31 141.94 99.48 0.51 0.01 91.50 7.90 0.15 0.00 0.01 0.00 0.37 0.06 67 P C C 60.61 6.71 25.15 32.46 113.19 -106.42 -68.72 142.73 90.55 9.43 0.01 88.69 1.39 0.09 0.00 0.01 0.00 9.67 0.15 68 I E E 33.98 23.24 14.83 37.35 123.51 -156.16 -118.86 132.82 6.47 93.53 0.01 6.40 0.20 0.01 0.00 0.00 0.00 92.60 0.78 69 H E E 55.87 13.03 23.54 36.51 121.63 -167.34 -115.66 130.73 0.64 99.36 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.33 0.05 70 H E E 88.44 13.32 22.12 34.86 117.32 -149.70 -98.81 127.84 2.21 97.79 0.00 2.12 0.06 0.00 0.00 0.00 0.00 97.70 0.11 71 Y E E 34.35 20.17 14.05 33.74 120.18 -166.00 -110.38 133.27 42.22 57.70 0.08 40.06 1.18 0.14 0.01 0.05 0.00 57.94 0.62 72 S C C 78.68 3.68 21.53 25.52 102.42 -161.57 -98.03 10.75 83.43 16.20 0.37 46.99 29.02 6.66 0.05 0.35 0.00 16.33 0.60 73 G C S 31.35 10.54 18.13 28.58 124.63 35.69 117.51 0.63 95.21 4.08 0.71 13.84 73.22 8.43 0.12 0.49 0.00 3.27 0.63 74 N C C 78.81 6.00 22.59 28.60 122.11 -34.35 -98.72 149.48 95.63 1.85 2.52 76.99 16.87 1.70 2.04 0.56 0.00 0.75 1.09 75 N H H 38.47 21.02 14.55 34.52 93.32 -131.01 -62.27 -35.33 7.71 0.05 92.24 1.77 2.19 3.80 91.11 1.08 0.01 0.02 0.03 76 L H H 88.75 7.01 21.48 28.97 92.48 54.45 -65.23 -40.69 4.01 0.04 95.96 0.69 0.58 2.64 94.96 1.09 0.02 0.02 0.01 77 D H H 69.62 5.09 23.35 28.45 92.31 48.85 -65.91 -40.13 2.33 0.05 97.61 0.63 0.34 1.39 96.29 1.29 0.01 0.03 0.01 78 L H H 5.89 22.66 16.09 39.04 91.93 51.41 -64.04 -43.10 1.11 0.02 98.87 0.23 0.15 0.68 98.11 0.81 0.00 0.01 0.00 79 G H H 7.95 16.03 16.76 33.70 91.51 51.32 -62.65 -42.29 1.95 0.03 98.02 0.36 0.20 1.30 97.05 1.07 0.00 0.01 0.00 80 T H H 90.87 2.28 21.80 23.37 92.08 49.85 -65.62 -40.53 2.59 0.03 97.38 0.35 0.24 1.90 95.65 1.84 0.01 0.01 0.00 81 A H H 45.16 11.04 17.62 29.15 92.15 52.96 -66.63 -33.53 7.10 0.04 92.86 0.35 0.49 6.29 91.23 1.59 0.02 0.01 0.02 82 C C T 25.12 17.63 14.26 31.87 94.81 42.28 -89.51 -5.03 54.25 0.08 45.67 0.73 2.14 51.07 44.01 1.93 0.02 0.03 0.07 83 G C T 58.67 1.59 20.20 20.94 94.19 -114.73 77.28 14.55 99.20 0.04 0.76 3.42 5.24 90.75 0.34 0.21 0.00 0.02 0.02 84 R C C 86.12 10.87 12.31 24.27 130.44 115.38 -118.43 156.52 98.69 0.77 0.54 53.21 43.21 2.27 0.18 0.32 0.00 0.26 0.56 85 H C C 142.62 3.01 18.10 21.88 98.34 -130.98 -81.20 -4.28 97.43 1.63 0.94 63.98 29.80 3.60 0.20 0.79 0.00 0.78 0.86 86 F C C 72.17 12.13 17.56 30.08 132.04 60.52 -126.10 156.74 93.68 4.37 1.95 44.01 42.87 6.88 0.33 1.78 0.00 2.89 1.23 87 R C C 103.77 11.19 23.69 34.53 112.31 -100.38 -80.22 132.62 84.71 13.36 1.94 56.45 21.89 6.33 0.31 1.92 0.00 11.28 1.82 88 A C C 7.18 24.25 18.77 42.90 118.49 -149.66 -98.67 131.98 62.25 37.13 0.62 57.12 4.31 0.61 0.18 0.46 0.00 34.45 2.86 89 C C E 22.02 17.66 25.84 43.11 99.88 -172.80 -93.01 -29.70 63.69 36.09 0.22 32.18 31.24 0.78 0.03 0.16 0.00 35.18 0.42 90 V E E 13.83 20.40 26.89 46.87 135.14 15.45 -143.58 142.53 7.52 92.26 0.22 6.25 1.04 0.14 0.05 0.09 0.00 92.25 0.18 91 L E E 4.44 25.98 24.85 50.27 125.45 -167.10 -124.59 134.56 1.42 98.43 0.15 1.27 0.09 0.02 0.07 0.02 0.00 98.49 0.04 92 S E E 12.74 18.60 28.01 45.93 124.55 -165.10 -119.35 136.77 0.81 99.07 0.12 0.72 0.03 0.01 0.08 0.01 0.00 99.12 0.02 93 I E E 10.27 23.13 20.40 43.46 114.77 -153.25 -104.71 122.72 2.75 97.15 0.10 2.63 0.09 0.02 0.09 0.02 0.00 96.92 0.22 94 T E E 53.31 11.07 22.80 33.90 101.04 -170.60 -92.82 -26.14 48.22 51.41 0.37 26.33 21.03 1.34 0.12 0.22 0.00 50.45 0.51 95 D C S 74.12 6.65 22.09 29.24 116.63 29.12 -130.06 105.06 83.05 16.01 0.94 37.75 41.36 3.92 0.33 0.59 0.00 15.11 0.94 96 V C C 47.31 18.43 13.62 31.06 100.96 -168.75 -80.04 -4.43 81.33 6.42 12.25 40.16 15.43 26.84 4.59 6.82 0.03 4.57 1.56 97 G C T 38.52 7.03 18.80 26.41 111.33 84.29 37.80 -124.11 78.93 2.70 18.37 30.44 18.97 30.84 8.20 8.81 0.04 1.38 1.32 98 D C C 89.05 6.42 17.61 24.74 99.87 5.55 -88.12 7.42 66.70 2.23 31.06 38.73 12.82 15.29 18.00 12.91 0.02 1.12 1.09 99 S C H 30.74 17.75 11.42 28.03 104.58 102.42 -81.16 19.94 51.22 1.83 46.94 24.25 10.82 16.57 31.00 15.51 0.07 0.94 0.83 100 D H H 97.89 4.06 19.77 24.23 99.03 78.63 -80.51 1.18 46.56 2.13 51.31 20.46 9.74 17.09 35.55 15.02 0.11 1.24 0.79 101 I H H 58.22 14.20 14.13 28.18 99.56 99.32 -77.53 -19.99 43.34 4.50 52.16 19.36 10.36 15.52 38.06 12.15 0.25 2.97 1.31 102 T C H 55.41 13.34 12.60 25.78 104.41 64.10 -87.01 21.09 45.99 10.53 43.48 22.82 10.13 15.20 33.73 7.80 0.37 7.36 2.58 103 S C C 76.49 4.43 12.77 18.90 108.06 75.64 -91.31 87.68 66.68 8.05 25.27 48.74 2.74 14.46 21.91 3.79 0.01 5.81 2.53 104 A C C 70.52 6.16 13.18 20.79 112.69 -151.32 -91.33 128.74 99.75 0.19 0.06 99.62 0.10 0.10 0.03 0.00 0.00 0.13 0.02