# 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 F C C 104.57 10.32 12.19 23.10 117.75 -160.81 -99.61 136.08 99.84 0.15 0.01 99.81 0.07 0.02 0.00 0.00 0.00 0.08 0.01 1 R C C 138.03 5.23 12.27 19.29 119.18 -159.29 -106.58 135.86 89.05 10.24 0.71 88.50 0.69 0.70 0.26 0.23 0.00 7.54 2.07 2 K C C 140.37 3.76 12.63 18.32 115.02 -140.68 -94.41 130.19 82.58 16.18 1.24 71.01 8.67 2.17 0.45 0.81 0.00 13.16 3.73 3 F C C 84.38 11.75 10.48 22.82 120.64 -161.05 -108.94 137.19 78.85 19.68 1.46 70.24 6.25 1.64 0.62 0.88 0.00 15.12 5.26 4 T C C 74.60 6.14 15.01 22.68 124.42 -167.48 -120.09 141.33 79.29 19.10 1.61 68.60 7.84 2.00 0.64 1.02 0.00 15.83 4.06 5 Y C C 84.52 13.20 10.98 24.37 115.95 -158.51 -107.27 121.79 60.93 34.34 4.73 38.13 14.05 8.12 1.89 2.99 0.19 17.38 17.26 6 R C T 152.16 5.63 13.87 20.82 97.93 -31.52 40.68 43.76 92.50 3.52 3.99 8.60 16.05 67.90 0.94 2.87 0.01 2.35 1.28 7 G C T 59.58 1.88 14.57 16.72 97.33 -49.84 83.23 1.27 95.49 1.35 3.15 7.93 20.90 66.86 0.53 2.43 0.00 0.91 0.43 8 V C C 50.78 11.11 9.57 21.83 121.19 114.73 -101.50 139.39 72.72 25.74 1.54 42.63 28.68 2.00 0.98 0.62 0.01 9.71 15.37 9 D C C 80.03 2.79 17.52 20.16 115.95 -118.95 -77.28 147.70 92.65 6.46 0.89 91.14 1.55 0.45 0.67 0.16 0.00 4.28 1.75 10 L H H 70.08 13.36 10.66 24.16 92.62 -120.75 -58.89 -37.58 4.54 0.04 95.42 0.88 0.54 2.96 90.27 5.30 0.01 0.02 0.01 11 D H H 104.35 1.74 16.54 18.01 91.91 55.00 -64.85 -37.44 2.69 0.02 97.30 0.28 0.21 2.05 91.42 6.03 0.00 0.01 0.00 12 Q H H 92.88 3.16 16.36 20.03 92.37 49.22 -67.29 -37.52 1.33 0.01 98.66 0.15 0.10 0.97 93.03 5.74 0.00 0.01 0.00 13 L H H 20.47 18.11 10.64 28.53 92.04 53.30 -64.97 -39.14 2.32 0.01 97.67 0.24 0.17 1.73 91.60 6.26 0.00 0.01 0.00 14 L H H 83.18 8.76 14.85 24.65 91.21 56.34 -68.43 -22.82 36.29 0.03 63.68 0.43 0.64 36.76 58.02 4.09 0.02 0.01 0.03 15 D C T 119.18 0.98 17.58 16.92 93.79 56.50 -87.37 -4.05 68.16 0.03 31.81 0.69 1.33 67.44 27.80 2.70 0.00 0.01 0.03 16 M C S 43.62 14.21 7.97 22.32 121.18 102.06 -80.94 149.17 98.83 0.76 0.41 22.10 76.21 0.52 0.34 0.06 0.00 0.18 0.60 17 S C C 59.60 2.06 18.33 19.31 119.49 -107.76 -72.41 161.69 97.16 2.69 0.15 97.25 0.32 0.05 0.10 0.01 0.00 0.47 1.81 18 Y H H 132.55 8.37 12.01 21.52 91.41 -106.17 -58.50 -38.75 0.87 0.00 99.13 0.14 0.10 0.48 98.99 0.27 0.00 0.00 0.00 19 E H H 132.52 1.43 17.15 17.88 91.67 53.57 -63.87 -40.43 0.28 0.00 99.72 0.02 0.02 0.20 99.52 0.24 0.00 0.00 0.00 20 Q H H 77.00 6.00 16.24 23.52 91.73 48.89 -65.71 -40.09 0.12 0.00 99.88 0.01 0.01 0.08 99.65 0.25 0.00 0.00 0.00 21 L H H 30.26 15.49 13.57 29.61 91.76 51.42 -63.70 -41.89 0.07 0.00 99.93 0.00 0.00 0.05 99.87 0.07 0.00 0.00 0.00 22 M H H 81.50 6.10 18.71 25.46 91.40 50.67 -63.77 -41.03 0.18 0.00 99.82 0.01 0.00 0.14 99.75 0.10 0.00 0.00 0.00 23 Q H H 99.56 3.30 20.74 23.97 91.77 50.28 -65.09 -41.00 0.90 0.00 99.10 0.03 0.02 0.86 98.83 0.26 0.00 0.00 0.00 24 L H H 32.99 13.46 17.57 31.76 92.17 49.72 -64.85 -41.94 1.74 0.00 98.26 0.11 0.08 1.41 97.96 0.43 0.00 0.00 0.00 25 Y H H 72.53 11.00 19.35 30.80 92.09 49.87 -64.43 -41.41 3.63 0.02 96.35 0.71 0.43 2.29 95.90 0.65 0.00 0.01 0.01 26 S H H 49.31 4.47 20.49 25.14 92.39 50.38 -64.97 -40.83 7.53 0.05 92.41 1.74 0.68 4.77 91.82 0.93 0.01 0.02 0.02 27 A H H 33.08 7.44 18.01 27.06 92.54 52.23 -64.27 -41.04 4.95 0.04 95.01 1.32 0.64 2.88 93.81 1.32 0.01 0.02 0.01 28 R H H 86.42 10.35 17.85 28.72 92.47 50.92 -65.06 -40.47 3.99 0.05 95.96 1.09 0.51 2.33 94.36 1.66 0.01 0.03 0.01 29 Q H H 81.28 6.79 18.17 25.60 92.28 51.23 -64.96 -39.99 5.11 0.06 94.83 1.31 0.59 3.13 92.57 2.34 0.01 0.03 0.02 30 R H H 125.79 4.07 18.17 22.76 92.30 51.11 -65.92 -38.27 9.21 0.10 90.69 2.13 1.10 5.96 87.72 2.96 0.02 0.05 0.04 31 R H H 100.07 8.24 16.21 25.28 93.67 52.77 -68.40 -34.73 19.51 0.36 80.13 5.99 2.86 11.48 75.29 4.00 0.04 0.19 0.16 32 R H H 110.91 8.63 15.94 25.22 94.17 56.73 -68.01 -34.38 30.64 1.19 68.17 13.91 5.12 13.49 61.70 4.60 0.05 0.63 0.49 33 L H H 92.83 6.26 15.31 22.38 96.41 55.68 -76.62 -17.15 41.44 1.54 57.03 21.47 7.56 14.11 50.91 4.48 0.05 0.74 0.69 34 S C H 63.10 6.22 14.41 21.82 101.67 64.76 -86.12 18.37 58.61 1.26 40.13 31.63 9.19 17.87 36.18 3.95 0.02 0.53 0.63 35 R C T 130.37 6.60 14.24 21.95 101.63 83.39 -81.52 18.04 63.05 0.88 36.07 14.55 13.74 35.00 30.69 5.07 0.06 0.36 0.52 36 G C T 34.79 7.16 16.27 24.39 104.02 -84.29 79.97 -10.30 66.20 0.82 32.98 20.06 12.78 33.68 27.65 5.00 0.03 0.34 0.46 37 L H H 50.74 14.27 12.56 26.82 99.16 80.88 -78.95 -4.59 45.87 1.20 52.93 33.18 5.80 7.78 47.52 4.65 0.01 0.58 0.49 38 R H H 122.39 7.26 16.16 24.40 95.71 79.68 -66.81 -38.78 28.98 1.16 69.86 19.06 4.64 7.08 63.97 4.21 0.01 0.63 0.39 39 R H H 148.27 3.19 17.43 21.06 93.74 51.03 -65.82 -38.25 16.77 0.56 82.67 9.14 3.08 5.89 77.39 3.97 0.02 0.33 0.18 40 K H H 105.27 6.00 18.26 25.07 93.23 51.03 -67.30 -38.40 12.32 0.32 87.36 6.85 2.14 4.24 83.25 3.23 0.01 0.18 0.10 41 Q H H 38.85 17.01 15.45 32.03 92.59 51.96 -64.99 -39.66 10.46 0.20 89.34 5.45 1.43 3.90 86.79 2.25 0.01 0.10 0.07 42 H H H 86.32 7.65 19.67 27.97 92.13 52.39 -65.06 -39.35 6.32 0.07 93.60 2.83 0.89 2.62 92.40 1.19 0.00 0.03 0.03 43 S H H 47.77 3.74 21.98 25.64 91.81 52.12 -64.04 -41.25 2.87 0.02 97.10 1.19 0.34 1.22 96.76 0.48 0.00 0.01 0.01 44 L H H 19.71 16.50 18.62 35.57 91.99 50.71 -64.86 -42.55 1.11 0.01 98.89 0.35 0.11 0.55 98.76 0.24 0.00 0.00 0.00 45 L H H 27.01 16.78 18.60 35.41 91.59 51.05 -63.18 -41.66 0.56 0.00 99.44 0.14 0.04 0.29 99.40 0.12 0.00 0.00 0.00 46 K H H 112.59 2.69 24.21 25.92 91.40 50.67 -63.62 -41.73 0.34 0.00 99.66 0.07 0.02 0.18 99.66 0.06 0.00 0.00 0.00 47 R H H 98.34 7.00 22.18 29.57 91.69 49.40 -64.88 -41.34 0.24 0.00 99.76 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 48 L H H 9.14 21.81 15.99 37.90 91.73 50.33 -64.08 -42.22 0.21 0.00 99.79 0.02 0.01 0.14 99.76 0.06 0.00 0.00 0.00 49 R H H 104.44 7.54 21.31 29.32 91.50 51.48 -63.14 -41.51 0.33 0.00 99.67 0.04 0.01 0.23 99.65 0.07 0.00 0.00 0.00 50 K H H 109.83 2.04 23.03 23.16 91.69 50.01 -64.38 -41.68 0.75 0.00 99.25 0.07 0.04 0.56 99.18 0.15 0.00 0.00 0.00 51 A H H 13.77 13.61 15.19 30.41 91.74 51.05 -64.22 -40.79 1.06 0.00 98.94 0.12 0.07 0.73 98.71 0.37 0.00 0.00 0.00 52 K H H 75.70 14.43 14.83 28.93 91.58 53.18 -64.28 -37.47 2.57 0.00 97.43 0.23 0.16 1.98 95.75 1.87 0.00 0.00 0.00 53 K H H 156.07 1.21 18.51 18.64 92.28 52.53 -69.66 -29.78 12.05 0.02 87.93 0.41 0.52 11.09 86.19 1.77 0.01 0.00 0.01 54 E H H 134.85 1.96 16.57 18.24 96.45 46.16 -91.58 -9.11 33.15 0.08 66.77 1.72 2.71 27.83 66.03 1.60 0.03 0.02 0.06 55 A C S 22.39 16.56 6.65 22.03 120.25 99.25 -81.92 148.94 99.72 0.20 0.08 21.85 77.68 0.19 0.05 0.01 0.00 0.04 0.17 56 P C C 71.87 2.75 14.92 18.28 117.02 -104.26 -64.86 151.39 99.79 0.14 0.07 98.23 1.33 0.21 0.02 0.03 0.00 0.03 0.14 57 P C T 112.18 2.64 10.93 15.37 97.26 -93.33 -60.40 -26.75 97.33 0.06 2.61 0.79 4.34 91.53 0.04 3.24 0.00 0.03 0.03 58 M C T 157.23 0.97 12.69 13.35 95.45 36.43 -78.08 -0.85 96.79 0.08 3.13 0.82 4.09 90.99 0.05 3.98 0.00 0.05 0.03 59 E C C 99.29 5.85 11.44 19.14 118.92 93.12 -98.92 139.77 92.82 2.58 4.61 44.25 42.75 4.06 0.31 5.40 0.00 0.88 2.36 60 K C C 132.53 4.79 15.35 21.97 115.90 -139.70 -90.62 132.12 99.09 0.85 0.07 93.63 5.35 0.19 0.02 0.04 0.00 0.35 0.42 61 P C C 30.31 19.28 11.22 29.79 116.74 -112.20 -67.20 150.95 98.52 1.32 0.16 95.53 2.70 0.47 0.03 0.12 0.00 0.76 0.39 62 E C C 109.73 5.38 22.49 28.06 114.87 -112.56 -79.37 140.68 91.87 7.87 0.26 71.99 18.94 0.95 0.04 0.28 0.00 6.97 0.83 63 V C C 53.92 16.02 17.51 33.01 116.12 -122.75 -89.20 133.54 53.82 46.04 0.15 48.42 4.73 0.27 0.03 0.12 0.00 44.77 1.65 64 V E E 15.29 20.38 17.03 37.65 119.98 -159.45 -108.67 131.55 13.72 86.24 0.04 13.51 0.43 0.03 0.02 0.02 0.00 83.20 2.78 65 K E E 100.31 8.72 24.81 34.03 116.95 -145.06 -97.41 133.73 16.15 83.81 0.04 15.68 0.59 0.05 0.02 0.02 0.00 81.97 1.68 66 T C C 12.57 23.12 14.76 37.49 127.81 -165.17 -121.88 146.09 59.23 40.48 0.30 55.05 2.72 0.45 0.07 0.22 0.00 39.64 1.85 67 H C C 81.65 9.12 23.26 32.90 100.61 -154.32 -91.21 -4.45 82.84 15.80 1.36 42.52 34.32 6.62 0.20 1.32 0.00 13.44 1.59 68 L C C 33.41 18.26 17.28 34.87 107.91 68.86 -98.79 95.79 88.42 7.06 4.52 58.32 19.74 9.87 0.73 4.49 0.00 4.85 2.01 69 R C T 107.81 12.35 18.85 31.02 95.93 140.71 -72.69 -31.34 83.19 4.55 12.27 20.02 20.30 43.15 1.20 11.12 0.01 2.93 1.29 70 D C T 83.32 7.59 21.68 29.73 96.92 49.18 -89.20 7.47 85.05 3.01 11.94 16.80 23.71 44.63 1.04 11.01 0.00 2.03 0.77 71 M C C 29.76 19.89 16.08 35.52 123.76 103.77 -104.73 141.38 80.43 11.15 8.42 60.68 14.65 4.81 1.40 7.64 0.00 8.26 2.56 72 I C C 56.21 12.87 24.33 37.07 114.10 -135.64 -97.77 123.20 66.28 32.21 1.50 50.48 13.42 1.72 0.62 1.02 0.01 23.34 9.40 73 I C C 16.69 23.19 17.73 40.77 116.22 -151.10 -101.23 126.17 54.63 44.96 0.41 45.99 8.24 0.46 0.24 0.20 0.00 21.87 22.99 74 L C C 33.67 14.47 21.27 36.08 114.37 -156.27 -97.40 125.82 99.42 0.53 0.05 98.96 0.63 0.03 0.02 0.01 0.00 0.27 0.08 75 P H G 57.50 12.58 18.34 31.54 91.29 -131.38 -59.82 -30.70 10.11 0.10 89.79 1.06 0.85 7.04 2.08 88.88 0.00 0.08 0.01 76 E H G 106.60 7.20 21.52 29.60 89.74 65.21 -67.74 -18.58 8.89 0.07 91.04 0.32 0.55 7.53 1.62 89.92 0.00 0.06 0.01 77 M H G 9.10 23.02 15.44 39.17 94.36 56.54 -92.26 -7.78 8.97 0.09 90.94 0.96 0.86 5.81 1.34 90.96 0.00 0.06 0.01 78 V C T 49.84 15.77 16.91 32.96 112.37 114.72 -62.39 132.00 96.65 0.85 2.50 0.63 1.50 95.56 0.39 1.06 0.00 0.27 0.59 79 G C T 40.71 5.14 22.70 29.00 95.14 22.41 86.15 -4.50 99.48 0.17 0.34 0.37 2.03 97.25 0.02 0.20 0.00 0.12 0.02 80 S C C 15.25 17.90 17.26 35.74 120.68 128.17 -78.46 153.82 95.78 4.19 0.03 87.78 7.67 0.16 0.00 0.03 0.00 4.20 0.16 81 M E E 54.78 12.11 25.46 38.09 117.89 -128.81 -103.48 130.61 1.51 98.49 0.00 1.53 0.05 0.00 0.00 0.00 0.00 98.09 0.33 82 V E E 3.31 25.70 20.04 46.29 123.24 -169.71 -118.42 134.38 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.82 0.01 83 G E E 6.61 16.21 25.88 42.51 121.02 -144.93 -100.04 142.48 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 84 V E E 7.47 22.12 21.30 43.56 121.83 -158.44 -117.79 130.82 0.43 99.56 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.01 85 Y E E 43.06 14.71 19.58 35.01 116.87 -160.70 -109.83 125.32 7.43 92.54 0.03 6.15 0.82 0.10 0.00 0.02 0.00 92.69 0.22 86 N E E 60.06 9.80 18.15 29.20 103.77 176.52 -111.76 40.15 41.52 57.49 0.99 20.27 13.23 9.86 0.09 1.05 0.00 54.58 0.90 87 G C T 40.02 7.98 15.79 24.26 100.24 -90.42 74.76 -20.16 98.38 0.46 1.17 2.43 30.31 65.51 0.03 1.32 0.00 0.31 0.10 88 K C T 152.40 2.05 16.19 18.57 103.73 26.49 -102.61 -19.61 98.57 0.56 0.87 2.47 36.12 60.00 0.03 0.89 0.00 0.38 0.10 89 T E E 83.36 2.74 17.87 21.08 127.69 35.25 -128.71 145.76 27.86 72.03 0.11 18.06 10.21 0.97 0.02 0.11 0.00 68.90 1.73 90 F E E 81.36 17.11 10.92 27.07 119.27 -136.84 -99.89 135.24 11.97 88.02 0.01 10.74 0.77 0.06 0.00 0.01 0.00 87.99 0.43 91 N E E 67.62 7.52 19.48 27.96 126.48 -173.50 -125.53 142.15 9.54 90.45 0.01 8.06 0.64 0.04 0.00 0.00 0.00 91.19 0.06 92 Q E E 102.40 9.83 17.70 28.41 116.93 -132.87 -91.54 133.19 3.53 96.47 0.00 3.22 0.10 0.01 0.00 0.00 0.00 96.65 0.03 93 V E E 24.76 17.19 15.42 33.03 126.49 -173.70 -126.03 139.88 0.95 99.05 0.00 0.96 0.01 0.00 0.00 0.00 0.00 99.01 0.02 94 E E E 106.39 5.50 24.07 30.08 114.97 -131.42 -87.56 131.85 0.69 99.31 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.25 0.06 95 I E E 10.95 24.49 11.31 35.94 115.60 -145.11 -96.91 127.62 22.99 77.00 0.01 22.99 0.22 0.01 0.00 0.00 0.00 76.20 0.58 96 K C C 91.04 4.67 23.47 28.01 129.40 -172.49 -123.81 158.21 99.16 0.79 0.05 98.63 0.71 0.04 0.01 0.02 0.00 0.54 0.05 97 P H G 72.16 12.17 13.96 26.52 91.29 -105.78 -58.50 -32.53 7.98 0.06 91.96 0.55 0.65 5.55 1.12 92.08 0.00 0.05 0.00 98 E H G 141.60 1.98 19.33 21.36 89.56 62.55 -69.05 -17.27 7.25 0.04 92.71 0.34 0.47 5.43 1.07 92.66 0.00 0.03 0.00 99 M H G 34.92 16.88 13.67 30.91 94.84 56.01 -92.08 -4.49 8.74 0.13 91.14 1.58 1.13 4.54 1.38 91.27 0.00 0.09 0.01 100 I C T 51.38 16.87 14.09 31.02 113.46 114.97 -64.13 134.23 91.14 3.35 5.50 9.84 8.04 73.54 2.27 2.82 0.01 1.56 1.93 101 G C T 35.47 8.82 20.41 29.93 95.24 20.35 83.32 -3.35 93.71 1.43 4.86 7.29 10.69 75.88 2.02 2.64 0.01 0.84 0.62 102 H C C 73.03 11.02 19.01 30.56 99.37 120.80 -70.51 -29.80 68.80 5.06 26.14 37.34 14.65 17.17 13.30 11.92 0.06 2.37 3.21 103 Y C T 80.00 13.44 20.68 33.39 103.76 31.68 -75.86 9.25 45.45 14.94 39.61 14.96 9.65 20.59 20.28 17.49 1.53 6.90 8.61 104 L H T 32.89 20.43 16.29 35.59 106.13 -89.23 -68.33 121.92 45.06 5.19 49.75 5.50 7.40 29.82 22.82 28.14 0.75 3.50 2.06 105 G C T 31.26 11.14 19.20 30.18 95.86 34.75 16.40 -19.21 50.02 2.84 47.13 7.58 8.45 32.03 20.63 28.02 0.24 1.77 1.28 106 E C T 92.13 8.18 19.40 27.97 95.56 68.31 -73.86 -25.49 56.43 3.66 39.91 16.25 13.65 26.80 17.31 21.96 0.20 1.88 1.96 107 F C T 75.91 14.19 15.30 28.95 102.21 50.39 -86.81 -4.87 62.48 6.05 31.47 22.54 16.93 24.15 13.83 16.19 0.23 2.96 3.18 108 S C C 47.17 11.81 15.65 27.59 101.91 71.27 -80.81 -9.70 67.68 7.96 24.36 31.58 19.72 17.66 10.17 13.15 0.11 4.43 3.17 109 I C C 87.09 9.03 15.33 25.12 104.16 58.07 -87.99 26.53 69.28 13.18 17.54 43.44 14.24 11.76 7.90 9.49 0.06 8.11 4.99 110 T C C 68.19 9.69 13.80 24.22 104.84 76.53 -92.81 6.98 79.40 12.23 8.37 58.35 13.51 7.06 4.10 4.41 0.01 8.04 4.51 111 Y C C 118.32 9.00 12.00 21.94 116.74 91.32 -102.72 130.33 84.81 12.17 3.01 55.26 25.67 4.06 1.42 1.62 0.01 6.74 5.22 112 K C C 138.91 2.93 14.57 18.98 117.62 -141.10 -98.83 134.56 92.13 7.62 0.25 68.92 23.17 0.63 0.09 0.15 0.00 5.62 1.41 113 P C C 85.69 6.95 10.92 19.56 113.60 -108.10 -66.96 144.96 86.45 12.18 1.37 76.69 7.32 2.02 0.53 0.83 0.00 8.36 4.25 114 V C C 82.95 7.39 9.54 18.53 116.23 -129.91 -93.70 134.78 84.87 12.94 2.18 71.14 9.90 3.01 0.83 1.42 0.00 7.61 6.09 115 K C C 155.06 2.01 11.71 15.22 114.00 -142.85 -95.19 126.30 86.90 10.49 2.61 70.56 11.30 4.35 0.82 1.91 0.00 6.54 4.52 116 H C C 130.20 5.08 8.08 14.81 110.95 -159.38 -93.40 114.26 89.26 7.77 2.97 40.17 20.77 29.25 0.61 2.30 0.00 4.58 2.32 117 G C C 56.25 2.08 9.98 13.41 112.54 -42.91 97.67 48.43 95.55 3.10 1.36 39.97 27.65 28.16 0.19 1.30 0.00 1.74 0.98 118 R C C 169.04 2.09 9.27 13.11 118.29 -86.12 -98.47 139.05 98.87 1.08 0.05 94.32 4.50 0.22 0.01 0.02 0.00 0.47 0.45 119 P C C 95.40 4.57 11.09 17.48 111.77 -101.21 -67.68 146.55 99.91 0.07 0.01 99.75 0.15 0.05 0.00 0.00 0.00 0.03 0.02