# 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 V C C 43.40 14.11 20.19 34.21 120.25 -166.17 -110.20 126.81 97.39 2.59 0.02 97.15 0.15 0.06 0.01 0.00 0.00 2.59 0.03 1 V E E 35.53 18.76 14.77 32.96 120.25 -163.34 -110.38 130.00 20.29 79.63 0.08 20.01 0.37 0.07 0.04 0.03 0.00 79.00 0.47 2 Q E E 92.16 5.53 20.99 27.34 123.52 -168.95 -118.81 138.75 5.14 94.77 0.10 4.67 0.30 0.07 0.04 0.04 0.00 94.66 0.20 3 Y E E 93.27 14.63 11.45 25.88 117.40 -151.13 -104.71 126.69 9.30 90.52 0.18 7.54 1.05 0.27 0.05 0.09 0.00 90.77 0.23 4 L E E 88.51 5.25 14.44 21.27 119.56 173.29 -130.57 122.02 20.78 78.79 0.43 12.25 5.28 3.16 0.08 0.37 0.00 78.32 0.54 5 N C T 133.51 1.39 16.42 17.54 96.72 -21.44 51.29 40.33 99.02 0.60 0.38 3.14 14.71 81.11 0.02 0.43 0.00 0.51 0.08 6 Q C T 81.43 13.11 13.86 26.79 96.31 -42.38 67.34 20.56 99.33 0.35 0.32 2.60 14.90 81.80 0.01 0.35 0.00 0.29 0.05 7 E E E 59.87 11.06 19.77 31.85 127.08 104.94 -117.96 142.81 7.21 92.77 0.02 5.12 1.55 0.21 0.00 0.02 0.00 92.86 0.24 8 L E E 6.89 23.63 16.85 41.15 117.17 -143.48 -102.02 128.35 0.55 99.45 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.45 0.04 9 V E E 34.36 10.49 26.71 38.41 116.86 -159.09 -109.28 124.74 0.35 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.64 0.02 10 V E E 3.50 25.85 16.07 42.97 118.57 -165.22 -108.77 128.36 5.45 94.54 0.01 5.16 0.16 0.02 0.00 0.00 0.00 94.51 0.14 11 S E E 45.32 8.38 24.62 33.15 128.93 -169.59 -120.93 152.32 46.78 53.14 0.07 35.67 8.47 0.55 0.01 0.07 0.00 54.89 0.35 12 G C S 26.47 6.28 23.21 30.50 132.31 37.78 112.27 -166.99 61.50 38.47 0.03 10.41 48.68 1.10 0.00 0.03 0.00 39.44 0.34 13 K E E 107.39 6.74 24.46 31.81 117.44 -33.81 -89.97 137.84 48.06 51.88 0.06 44.35 2.75 0.17 0.02 0.05 0.00 50.89 1.78 14 I E E 5.02 26.10 13.61 40.71 111.60 -140.77 -93.83 120.09 35.09 64.82 0.09 35.02 0.87 0.06 0.06 0.04 0.00 41.61 22.33 15 D C C 46.58 6.95 24.72 32.23 136.86 159.02 -135.65 174.35 82.03 17.88 0.09 77.70 4.95 0.13 0.06 0.04 0.00 12.59 4.52 16 F C T 96.58 13.64 15.72 29.25 91.56 -90.34 -60.76 -34.99 65.74 0.09 34.17 0.40 3.66 64.43 14.22 17.10 0.02 0.05 0.11 17 E C T 145.41 1.36 20.98 21.06 91.78 54.58 -69.63 -28.97 67.26 0.04 32.70 0.33 2.16 68.10 12.07 17.27 0.00 0.02 0.05 18 N C T 34.80 13.76 15.49 30.10 98.58 40.51 -100.82 -7.98 62.40 0.15 37.45 2.71 3.58 55.67 18.04 19.77 0.01 0.07 0.16 19 A H H 5.64 24.31 12.93 37.06 92.37 92.63 -60.22 -43.60 1.28 0.00 98.72 0.42 0.12 0.58 98.46 0.41 0.00 0.00 0.00 20 E H H 108.16 4.86 22.04 27.47 91.67 51.65 -63.49 -40.38 0.24 0.00 99.76 0.02 0.01 0.15 99.57 0.24 0.00 0.00 0.00 21 Q H H 97.94 3.07 23.97 26.25 91.85 49.61 -65.11 -40.96 0.09 0.00 99.91 0.01 0.00 0.06 99.74 0.19 0.00 0.00 0.00 22 Q H H 10.03 22.08 17.97 39.85 91.79 49.57 -64.91 -42.74 0.06 0.00 99.94 0.00 0.00 0.04 99.87 0.08 0.00 0.00 0.00 23 Y H H 44.02 19.70 20.15 38.59 91.65 51.02 -62.73 -42.63 0.11 0.00 99.89 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 24 Q H H 113.47 2.33 25.63 27.15 91.58 49.74 -64.25 -40.88 0.25 0.00 99.75 0.01 0.01 0.20 99.73 0.05 0.00 0.00 0.00 25 A H H 40.39 7.83 23.24 31.56 91.85 49.08 -65.34 -41.34 1.01 0.00 98.99 0.03 0.03 0.88 98.94 0.12 0.00 0.00 0.00 26 G H H 1.36 25.43 16.89 42.61 91.65 50.86 -63.99 -42.97 3.43 0.00 96.57 0.16 0.13 2.88 96.59 0.23 0.00 0.00 0.00 27 L H H 45.40 14.84 21.49 35.89 91.51 51.86 -63.01 -41.38 1.35 0.00 98.64 0.25 0.12 0.81 98.33 0.50 0.00 0.00 0.00 28 A H H 54.70 2.53 24.70 25.84 91.35 51.83 -63.36 -41.61 1.07 0.00 98.93 0.14 0.07 0.74 98.25 0.80 0.00 0.00 0.00 29 I H H 26.57 13.69 19.21 33.83 91.92 49.82 -64.76 -42.02 1.42 0.01 98.57 0.19 0.11 1.00 97.45 1.25 0.00 0.00 0.00 30 I H H 7.20 24.22 13.68 37.84 91.96 50.90 -65.26 -39.44 2.83 0.01 97.15 0.39 0.24 2.02 95.77 1.56 0.00 0.01 0.00 31 K H H 131.05 4.67 18.27 24.34 91.43 54.85 -67.33 -28.52 16.67 0.03 83.30 0.85 0.82 14.68 82.40 1.21 0.01 0.01 0.02 32 K H H 145.16 1.93 17.82 19.38 94.42 53.60 -80.60 -17.29 43.50 0.12 56.38 3.07 4.66 34.49 56.06 1.56 0.03 0.04 0.09 33 Q C C 57.91 14.60 10.00 24.22 112.54 69.61 -100.23 108.51 91.58 0.50 7.92 63.96 17.71 9.32 6.58 1.80 0.00 0.17 0.48 34 T C T 106.76 2.85 15.29 19.69 98.15 -167.96 -82.04 -14.58 96.85 0.37 2.78 35.49 20.33 41.18 0.61 2.02 0.00 0.18 0.19 35 S C T 76.04 4.08 17.29 22.22 102.67 56.43 -92.14 0.64 97.58 0.59 1.83 26.55 28.37 42.50 0.21 1.82 0.00 0.36 0.18 36 F C S 47.98 17.17 14.18 31.18 118.61 94.98 -110.48 128.38 97.71 2.06 0.23 39.11 58.02 0.97 0.03 0.17 0.00 1.39 0.30 37 P C C 45.30 10.67 23.85 34.91 114.99 -131.28 -73.22 143.27 91.16 8.70 0.13 82.96 7.08 0.61 0.02 0.12 0.00 8.90 0.33 38 L E E 6.29 25.07 18.51 43.99 118.83 -146.92 -107.04 128.52 9.14 90.84 0.02 8.38 0.53 0.03 0.00 0.01 0.00 90.72 0.33 39 I E E 33.32 13.82 27.73 42.04 116.61 -162.02 -110.69 122.50 0.36 99.64 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 40 V E E 3.62 25.43 21.49 47.36 115.77 -163.01 -108.22 121.94 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 41 D E E 32.58 11.99 26.68 39.46 109.61 -158.11 -103.49 109.07 1.44 98.56 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.56 0.03 42 L C C 4.65 24.71 16.58 42.84 98.14 172.91 -101.87 10.68 50.88 41.83 7.29 44.41 3.70 1.87 0.47 6.55 0.00 42.60 0.40 43 K C T 103.82 9.25 21.09 31.35 92.00 103.95 -62.72 -24.50 60.83 28.60 10.57 7.38 12.96 41.38 0.36 10.84 0.01 26.20 0.87 44 Q C T 98.79 6.28 22.26 29.28 94.44 49.50 -89.84 -1.56 63.68 26.01 10.30 10.48 11.65 41.90 0.32 10.91 0.00 24.11 0.62 45 L C C 10.59 24.95 10.25 34.80 111.98 102.77 -81.39 124.67 57.02 42.41 0.57 55.42 1.87 0.35 0.16 0.37 0.00 40.40 1.43 46 E C E 125.21 3.56 22.83 27.17 99.72 175.88 -97.12 -25.95 54.77 44.96 0.27 36.42 17.42 1.90 0.04 0.24 0.00 43.09 0.89 47 H E E 94.20 6.08 24.33 31.24 137.15 14.97 -145.32 150.95 21.48 78.25 0.28 13.89 6.95 1.69 0.06 0.23 0.00 74.84 2.33 48 G E E 12.42 23.58 14.56 36.69 133.50 164.09 -140.21 155.72 22.80 77.02 0.18 20.72 1.94 0.18 0.10 0.09 0.00 67.59 9.38 49 N C C 55.14 9.75 25.31 34.83 132.72 -151.80 -121.38 168.55 83.94 15.66 0.40 81.29 2.79 0.16 0.35 0.08 0.00 13.92 1.40 50 T H H 63.44 13.61 21.37 34.67 91.95 -97.30 -62.69 -34.00 6.22 0.02 93.75 0.86 1.08 3.82 93.79 0.43 0.01 0.01 0.01 51 L H H 58.36 12.28 25.27 37.41 91.79 55.41 -63.90 -40.55 0.95 0.00 99.05 0.08 0.07 0.65 99.02 0.18 0.00 0.00 0.00 52 A H H 1.84 25.72 21.67 47.29 91.37 51.04 -64.45 -42.71 0.18 0.00 99.82 0.02 0.01 0.10 99.76 0.11 0.00 0.00 0.00 53 L H H 7.53 24.11 24.74 47.98 91.32 50.99 -64.19 -41.93 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.03 0.00 0.00 0.00 54 A H H 26.39 11.97 27.50 40.32 91.38 51.73 -63.53 -41.53 0.05 0.00 99.95 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 55 V H H 10.44 20.37 25.70 45.54 91.55 50.44 -64.59 -43.20 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 56 L H H 0.74 28.33 24.04 52.76 91.33 50.47 -63.49 -43.31 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 57 V H H 20.94 18.62 24.65 42.45 91.40 50.40 -64.16 -42.24 0.12 0.00 99.88 0.00 0.00 0.08 99.88 0.04 0.00 0.00 0.00 58 Q H H 64.93 9.61 25.75 35.72 91.62 50.75 -64.56 -41.65 0.85 0.00 99.15 0.04 0.02 0.68 99.07 0.19 0.00 0.00 0.00 59 W H H 14.56 21.63 20.42 41.72 91.98 49.77 -64.77 -41.89 4.47 0.01 95.52 0.46 0.24 3.39 95.26 0.63 0.00 0.00 0.00 60 L H H 18.92 21.62 18.16 39.10 91.75 52.97 -65.96 -33.98 16.35 0.22 83.43 4.77 1.82 9.54 81.68 1.97 0.02 0.10 0.09 61 R H H 127.06 7.40 21.03 28.95 92.67 56.67 -70.92 -24.95 44.64 0.52 54.85 18.69 4.05 20.78 53.23 2.76 0.01 0.25 0.22 62 Q C H 87.60 8.94 18.45 27.81 97.20 51.61 -87.70 -5.95 60.70 1.01 38.29 29.16 9.09 22.48 34.68 3.64 0.02 0.43 0.52 63 T C C 24.56 19.21 9.96 28.12 115.39 97.58 -89.56 134.79 79.33 1.36 19.31 51.70 20.02 7.52 14.53 4.76 0.00 0.49 0.96 64 P C C 84.07 4.67 15.78 21.58 103.42 -121.03 -66.81 109.41 70.96 1.13 27.91 33.19 10.75 27.64 12.09 15.07 0.01 0.52 0.73 65 Q C T 124.87 4.31 14.75 20.49 101.13 14.75 -75.43 18.59 68.85 1.16 29.99 15.81 14.20 39.30 11.34 17.91 0.04 0.56 0.83 66 K C T 123.96 7.72 14.35 22.82 99.43 56.80 -69.93 27.30 73.33 1.39 25.29 21.57 19.21 33.84 7.47 16.34 0.02 0.64 0.92 67 S C C 60.11 8.41 17.17 26.11 104.47 107.18 -87.35 24.89 84.38 5.30 10.32 33.22 26.12 26.12 2.02 7.74 0.01 3.46 1.31 68 G C C 20.93 11.79 19.51 31.73 106.92 -87.25 90.65 1.85 70.51 25.03 4.46 44.31 17.57 8.91 0.64 3.96 0.00 23.36 1.25 69 L E E 11.63 24.33 14.97 39.10 121.49 97.04 -107.86 135.58 22.28 77.39 0.33 19.34 2.56 0.31 0.08 0.22 0.00 76.98 0.53 70 H E E 75.21 10.21 26.49 37.04 125.21 -169.75 -122.50 136.14 2.39 97.56 0.05 2.15 0.13 0.02 0.02 0.02 0.00 97.54 0.12 71 F E E 21.20 23.36 16.74 39.86 119.88 -157.28 -110.10 127.76 1.24 98.74 0.02 1.19 0.04 0.00 0.01 0.00 0.00 98.55 0.20 72 K E E 85.67 8.58 21.95 31.09 129.59 -174.16 -127.19 148.79 11.71 88.19 0.10 7.37 3.53 0.71 0.02 0.07 0.00 87.99 0.29 73 N C S 106.00 3.69 22.40 26.66 93.14 9.00 60.43 40.51 83.86 16.07 0.07 16.73 62.36 2.95 0.00 0.07 0.00 17.59 0.28 74 V C C 12.67 24.24 9.76 33.19 116.81 170.04 -82.80 136.76 97.30 2.64 0.06 90.27 7.28 0.09 0.03 0.02 0.00 2.01 0.30 75 P C C 43.08 7.81 18.22 27.72 115.01 -105.87 -64.86 152.32 99.12 0.33 0.55 98.89 0.31 0.14 0.41 0.03 0.00 0.13 0.09 76 E H H 133.83 3.38 17.09 21.81 91.18 -110.24 -59.15 -37.17 3.95 0.01 96.04 0.68 0.69 2.40 95.23 0.99 0.00 0.00 0.01 77 K H H 108.86 5.33 18.87 25.07 91.73 55.70 -64.59 -38.19 2.28 0.01 97.71 0.37 0.25 1.54 96.60 1.23 0.01 0.00 0.00 78 M H H 12.57 22.08 15.07 36.91 92.45 49.73 -66.35 -40.61 1.04 0.01 98.95 0.27 0.11 0.59 97.67 1.35 0.00 0.01 0.00 79 L H H 48.18 14.84 18.06 32.69 91.67 52.81 -62.26 -41.64 0.62 0.01 99.36 0.21 0.06 0.29 99.15 0.28 0.00 0.01 0.00 80 K H H 115.92 2.52 23.58 25.11 91.64 51.44 -63.93 -41.44 0.76 0.03 99.20 0.23 0.06 0.40 99.10 0.18 0.00 0.02 0.00 81 I H H 28.08 14.20 19.76 34.62 91.96 49.38 -64.32 -43.09 0.67 0.10 99.23 0.21 0.06 0.33 99.06 0.26 0.00 0.07 0.01 82 I H H 5.70 23.84 15.64 39.66 91.53 49.48 -63.55 -42.59 1.13 0.17 98.70 0.34 0.10 0.58 98.36 0.47 0.00 0.13 0.01 83 Q H H 97.31 6.47 20.04 27.29 91.73 51.03 -64.18 -40.46 3.76 0.08 96.17 0.52 0.22 2.76 95.74 0.69 0.01 0.05 0.01 84 A H H 58.04 5.83 18.95 25.58 91.42 54.31 -66.07 -33.18 11.20 0.05 88.75 0.63 0.61 9.76 88.27 0.68 0.02 0.02 0.02 85 C C T 26.32 15.62 14.34 30.71 94.96 48.61 -90.61 1.33 76.41 0.25 23.34 2.47 7.12 64.05 24.53 1.54 0.01 0.09 0.18 86 H C T 131.59 4.05 20.73 25.55 94.03 -117.36 61.39 34.69 90.90 0.17 8.93 7.09 5.63 77.40 8.18 1.50 0.00 0.08 0.12 87 L C C 19.77 19.63 13.11 32.86 98.14 131.92 -89.39 -2.64 72.01 0.65 27.34 65.37 2.94 5.60 16.55 8.88 0.00 0.32 0.34 88 Q H G 70.50 14.58 14.86 28.96 93.41 89.48 -64.27 -32.06 34.51 1.15 64.35 13.02 4.99 15.24 29.43 36.16 0.03 0.68 0.45 89 E H G 137.75 2.15 19.46 21.48 92.74 58.00 -70.33 -25.05 33.37 1.17 65.46 5.57 4.91 20.26 32.89 35.08 0.10 0.78 0.41 90 D H H 66.95 10.00 16.59 27.13 97.05 51.88 -86.91 -9.60 35.17 1.84 62.99 7.93 6.25 19.13 34.45 30.27 0.13 1.30 0.55 91 L C H 29.51 20.08 12.31 31.30 105.56 80.22 -85.30 53.03 48.71 9.69 41.60 29.43 13.68 7.13 33.40 7.34 0.09 7.23 1.70 92 H C H 107.37 6.56 19.21 26.39 106.10 -158.26 -81.35 81.57 42.28 20.04 37.68 30.73 4.86 6.02 32.07 6.41 0.03 18.29 1.59 93 L H H 63.15 12.49 15.42 28.24 106.56 70.87 -86.55 75.26 32.20 28.14 39.67 22.86 4.42 4.74 34.83 5.82 0.06 25.40 1.90 94 V H H 52.32 12.91 14.67 27.96 111.27 55.24 -94.01 115.60 30.83 26.76 42.41 22.18 4.14 4.34 37.81 5.16 0.05 24.79 1.53 95 L H H 78.36 9.54 14.31 24.68 113.11 -160.06 -94.63 124.79 36.03 18.57 45.40 25.27 5.15 5.75 38.93 6.02 0.05 17.55 1.28 96 E H H 107.24 6.49 13.83 21.51 111.23 -153.51 -92.65 121.99 42.13 8.51 49.36 27.14 6.81 8.70 41.24 7.24 0.04 7.82 1.00 97 H H H 110.86 6.46 12.40 20.20 110.43 -148.63 -90.58 119.67 47.05 3.95 48.99 26.43 8.13 13.08 40.76 7.62 0.04 3.15 0.78 98 H C H 105.57 7.23 10.79 19.37 108.66 -155.89 -91.46 94.44 52.60 3.02 44.38 29.80 8.91 14.58 36.17 7.65 0.04 1.99 0.87 99 H C C 121.14 5.06 10.61 17.28 106.78 111.15 -89.88 48.98 59.73 2.86 37.41 32.83 10.68 16.47 29.61 7.71 0.03 1.74 0.94 100 H C C 127.77 4.05 10.01 15.76 109.17 113.85 -92.28 89.47 68.68 2.98 28.34 38.09 11.15 19.47 21.43 7.04 0.01 1.80 1.01 101 H C C 125.19 4.65 8.73 15.17 110.49 141.97 -94.04 106.24 82.90 1.78 15.32 65.71 3.15 14.60 11.00 3.68 0.00 1.07 0.79 102 H C C 134.90 3.93 11.14 16.83 110.63 -160.96 -94.76 111.62 99.83 0.08 0.09 99.59 0.12 0.19 0.03 0.01 0.00 0.04 0.01