# 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 P C C 84.03 6.19 13.78 21.32 112.06 -113.59 -70.83 138.23 99.97 0.02 0.00 99.82 0.15 0.02 0.00 0.00 0.00 0.01 0.00 1 K C C 141.65 3.28 13.64 18.61 116.09 -112.82 -92.94 133.16 99.40 0.50 0.11 98.46 0.85 0.17 0.04 0.03 0.00 0.15 0.30 2 P C C 69.34 10.76 9.94 21.43 113.98 -107.15 -66.08 147.55 96.83 1.00 2.16 86.64 5.64 4.63 0.53 1.50 0.00 0.50 0.56 3 T C C 86.44 5.56 13.19 20.34 111.48 -131.31 -90.82 127.74 93.07 3.98 2.95 74.99 10.83 6.89 0.78 2.21 0.00 1.94 2.36 4 K C C 137.24 4.99 13.21 19.94 113.91 -143.81 -98.60 126.56 89.00 6.48 4.51 51.21 28.82 9.02 1.55 2.80 0.00 2.99 3.60 5 G C C 30.26 8.91 12.71 22.65 129.90 56.22 132.67 175.52 88.93 2.86 8.21 42.06 38.16 9.14 3.24 4.55 0.01 1.34 1.51 6 P C C 91.00 5.32 15.30 21.69 103.44 -65.01 -71.01 80.23 78.58 1.94 19.48 36.20 18.89 24.22 4.84 13.92 0.00 0.96 0.97 7 R C C 144.55 5.63 16.06 22.75 105.09 34.84 -92.10 71.43 74.40 5.18 20.43 39.00 15.09 20.87 5.28 14.71 0.01 2.77 2.27 8 L C C 53.82 16.06 11.25 26.52 108.25 82.16 -85.24 106.90 76.84 5.95 17.21 40.64 16.53 20.15 5.23 11.39 0.02 3.08 2.95 9 G C C 47.12 5.31 16.00 22.17 109.70 17.34 90.57 -3.53 91.46 2.92 5.62 43.68 18.02 30.21 1.56 3.69 0.00 1.58 1.25 10 G C S 42.52 5.05 14.25 20.78 123.79 90.14 26.16 -167.85 94.68 1.42 3.90 25.11 49.87 20.13 1.04 2.41 0.00 0.71 0.72 11 S C C 68.22 2.73 16.46 19.26 117.62 -35.14 -85.32 155.03 95.26 1.65 3.09 55.63 36.85 2.80 2.12 0.86 0.00 0.49 1.25 12 S H H 70.17 7.05 12.01 20.49 93.18 -113.05 -60.56 -36.60 19.64 0.17 80.19 4.93 5.90 10.04 75.53 3.37 0.04 0.07 0.11 13 S H H 85.12 1.45 16.42 17.44 92.89 52.72 -65.62 -38.33 15.34 0.11 84.55 2.97 2.61 9.89 80.73 3.64 0.04 0.05 0.07 14 H H H 95.17 5.29 16.75 22.93 93.21 47.79 -67.64 -38.97 8.47 0.10 91.43 3.71 1.29 3.78 87.94 3.18 0.01 0.05 0.05 15 Q H H 36.42 17.07 14.63 31.45 91.75 52.40 -63.91 -42.23 2.44 0.02 97.54 1.09 0.33 1.01 96.95 0.61 0.00 0.01 0.00 16 S H H 46.68 11.55 19.95 31.49 91.65 51.68 -63.40 -41.07 1.13 0.01 98.87 0.38 0.11 0.53 98.75 0.23 0.00 0.00 0.00 17 A H H 53.60 4.10 23.78 27.61 91.74 50.75 -64.28 -41.56 0.70 0.00 99.30 0.23 0.06 0.33 99.24 0.13 0.00 0.00 0.00 18 L H H 39.02 13.46 22.40 35.88 91.75 49.54 -64.29 -42.29 0.33 0.00 99.67 0.09 0.02 0.16 99.67 0.05 0.00 0.00 0.00 19 L H H 9.01 23.55 21.04 43.82 91.46 49.80 -63.76 -42.55 0.17 0.00 99.83 0.04 0.01 0.08 99.84 0.02 0.00 0.00 0.00 20 A H H 31.33 13.45 23.81 37.01 91.33 51.95 -62.63 -42.17 0.12 0.00 99.88 0.02 0.00 0.06 99.89 0.02 0.00 0.00 0.00 21 N H H 82.16 4.99 27.85 33.29 91.71 49.95 -64.84 -40.72 0.25 0.00 99.75 0.03 0.01 0.15 99.78 0.03 0.00 0.00 0.00 22 L H H 12.36 20.44 23.44 43.25 91.82 50.08 -64.18 -42.88 0.31 0.00 99.69 0.03 0.01 0.21 99.72 0.03 0.00 0.00 0.00 23 A H H 3.55 24.78 22.11 46.44 91.63 50.87 -63.30 -42.67 0.39 0.00 99.61 0.04 0.02 0.23 99.67 0.03 0.00 0.00 0.00 24 T H H 46.58 9.49 26.11 36.01 91.60 50.95 -64.10 -42.10 0.54 0.00 99.45 0.08 0.03 0.32 99.52 0.05 0.00 0.00 0.00 25 S H H 25.69 8.75 24.22 34.25 91.45 50.73 -64.04 -41.14 0.69 0.00 99.31 0.10 0.05 0.42 99.35 0.08 0.00 0.00 0.00 26 L H H 4.94 23.80 18.04 41.94 91.44 50.98 -64.11 -43.07 0.40 0.00 99.60 0.06 0.03 0.25 99.52 0.14 0.00 0.00 0.00 27 F H H 46.55 18.54 18.87 36.47 93.06 47.56 -66.69 -40.83 0.64 0.00 99.36 0.05 0.04 0.49 99.15 0.26 0.00 0.00 0.00 28 E H H 121.00 3.52 21.63 25.31 96.71 41.20 -76.55 -38.77 2.61 0.00 97.38 0.10 0.15 2.34 97.18 0.23 0.00 0.00 0.00 29 H H H 101.44 5.53 19.08 25.16 100.14 23.86 -103.61 -14.65 10.92 0.04 89.03 0.99 1.81 8.08 88.80 0.27 0.02 0.01 0.03 30 G C S 25.51 14.43 16.21 30.45 96.34 -129.87 75.09 5.42 98.72 1.05 0.23 27.41 66.09 5.29 0.09 0.13 0.00 0.84 0.13 31 R E E 102.98 7.28 23.10 31.53 136.36 52.81 -140.69 149.46 47.58 52.10 0.32 35.20 9.76 2.48 0.07 0.27 0.00 51.13 1.09 32 I E E 12.13 24.30 14.78 39.15 127.66 -166.45 -130.42 138.45 30.37 69.52 0.12 29.05 1.07 0.13 0.05 0.06 0.00 67.63 2.00 33 K E E 113.15 6.24 25.39 32.67 118.96 -158.22 -111.81 131.72 27.47 72.44 0.08 25.54 1.66 0.13 0.04 0.04 0.00 71.36 1.23 34 T E E 17.91 20.80 14.23 34.50 139.40 160.88 -145.47 164.04 48.74 51.19 0.07 42.72 5.20 0.19 0.03 0.05 0.00 50.67 1.14 35 T C C 69.36 6.20 21.54 27.89 118.70 -106.32 -86.11 154.20 89.49 10.21 0.30 77.94 10.94 0.49 0.14 0.13 0.00 9.66 0.70 36 E H H 96.45 10.08 16.04 26.61 98.77 -106.91 -64.73 -43.01 11.03 0.06 88.91 3.77 4.13 3.42 87.80 0.84 0.00 0.02 0.03 37 P H H 81.95 2.73 21.12 23.16 92.43 51.89 -63.16 -39.08 4.34 0.02 95.64 0.72 0.60 2.79 94.74 1.11 0.02 0.01 0.01 38 K H H 65.15 12.55 18.78 31.49 92.33 49.17 -66.34 -38.74 1.85 0.01 98.13 0.43 0.22 1.11 97.05 1.18 0.01 0.01 0.00 39 A H H 5.32 23.24 14.29 37.56 91.49 52.59 -63.44 -41.09 0.63 0.00 99.37 0.12 0.06 0.36 98.67 0.79 0.00 0.00 0.00 40 R H H 137.58 4.64 23.43 28.81 91.25 52.40 -64.24 -37.68 1.40 0.00 98.60 0.07 0.06 1.22 97.51 1.14 0.00 0.00 0.00 41 A H H 48.68 7.12 23.30 30.77 91.95 51.88 -68.31 -33.99 6.93 0.00 93.07 0.10 0.15 7.19 91.48 1.07 0.00 0.00 0.00 42 L H H 3.94 25.27 16.88 42.37 94.16 49.19 -80.69 -23.02 11.50 0.01 88.49 0.28 0.60 10.81 87.53 0.74 0.01 0.00 0.01 43 R H H 76.83 18.33 19.91 36.61 91.96 74.85 -57.87 -44.39 1.12 0.00 98.88 0.28 0.07 0.49 98.70 0.46 0.00 0.00 0.00 44 P H H 74.49 2.91 26.25 28.32 91.02 50.61 -63.81 -39.75 0.43 0.00 99.57 0.05 0.02 0.26 99.17 0.49 0.00 0.00 0.00 45 Y H H 53.19 13.89 23.13 36.83 91.89 49.28 -65.74 -40.74 0.10 0.00 99.90 0.01 0.00 0.06 99.58 0.35 0.00 0.00 0.00 46 A H H 1.13 27.18 18.03 45.91 91.05 51.69 -62.69 -42.84 0.04 0.00 99.96 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 47 E H H 78.21 10.99 24.66 35.42 91.31 51.82 -62.71 -41.37 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 48 K H H 105.64 4.16 27.25 31.57 91.56 50.14 -64.35 -41.11 0.12 0.00 99.88 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 49 L H H 5.23 23.45 21.40 44.54 91.66 49.60 -64.28 -43.48 0.13 0.00 99.87 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 50 I H H 9.13 23.15 21.50 44.01 91.48 49.48 -63.77 -42.60 0.22 0.00 99.78 0.02 0.01 0.15 99.75 0.06 0.00 0.00 0.00 51 T H H 66.72 4.25 26.68 30.83 91.57 50.30 -63.27 -42.75 0.70 0.00 99.30 0.07 0.04 0.53 99.15 0.21 0.00 0.00 0.00 52 H H H 55.84 9.64 23.13 33.50 91.75 49.33 -65.20 -40.24 1.19 0.00 98.81 0.10 0.08 0.92 98.33 0.56 0.00 0.00 0.00 53 A H H 2.94 24.97 14.56 39.88 91.24 53.23 -65.04 -38.09 4.07 0.01 95.92 0.46 0.30 3.06 94.60 1.58 0.00 0.01 0.00 54 K H H 101.27 10.74 20.61 31.31 91.78 54.83 -68.03 -31.02 15.29 0.02 84.68 0.77 0.93 13.38 83.38 1.50 0.02 0.01 0.02 55 K H H 140.43 1.89 22.32 22.95 97.51 47.91 -90.18 -7.69 31.70 0.11 68.19 3.24 4.95 23.10 67.29 1.27 0.04 0.03 0.09 56 G C C 23.98 17.53 11.73 27.81 117.71 -137.15 2.72 153.78 98.36 0.37 1.27 57.49 27.67 13.26 0.73 0.44 0.00 0.13 0.28 57 A C C 54.01 3.64 21.13 24.33 128.39 -143.07 -109.74 166.58 97.31 1.47 1.22 73.29 22.97 0.60 1.08 0.19 0.00 0.29 1.58 58 L H H 97.81 7.87 14.72 23.87 91.56 -98.04 -59.76 -38.21 8.13 0.04 91.83 1.19 1.61 5.38 89.88 1.89 0.03 0.01 0.02 59 H H H 125.62 1.86 19.75 20.71 91.70 52.97 -64.23 -39.78 5.84 0.02 94.14 0.77 0.58 4.20 92.45 1.96 0.01 0.01 0.01 60 N H H 31.18 13.32 16.04 30.26 92.25 49.92 -66.11 -39.04 2.93 0.02 97.05 0.96 0.36 1.50 95.21 1.95 0.00 0.01 0.01 61 R H H 54.97 18.54 15.85 33.41 91.74 53.91 -62.46 -41.87 0.63 0.00 99.37 0.18 0.06 0.29 99.12 0.35 0.00 0.00 0.00 62 R H H 127.32 3.41 23.09 26.19 91.66 50.69 -64.13 -40.41 0.36 0.00 99.64 0.05 0.02 0.21 99.51 0.21 0.00 0.00 0.00 63 E H H 77.62 5.67 22.47 28.49 91.55 50.48 -64.20 -41.51 0.49 0.00 99.51 0.05 0.02 0.34 99.25 0.34 0.00 0.00 0.00 64 V H H 3.22 24.81 15.21 40.44 91.69 49.84 -64.07 -42.29 0.86 0.00 99.13 0.07 0.04 0.66 98.47 0.76 0.00 0.00 0.00 65 M H H 58.72 15.07 17.96 32.73 91.13 53.98 -64.07 -34.33 3.20 0.00 96.79 0.16 0.12 2.77 93.18 3.77 0.00 0.00 0.00 66 K H H 146.24 1.54 22.48 22.74 91.91 53.77 -68.80 -29.41 21.00 0.01 78.99 0.25 0.42 21.39 73.74 4.18 0.01 0.00 0.01 67 K H H 78.17 11.36 18.14 29.68 97.03 43.79 -86.48 -25.97 30.49 0.03 69.48 0.56 1.32 28.80 66.29 2.99 0.02 0.01 0.02 68 I C C 9.66 24.43 9.88 33.43 115.04 66.37 -101.19 122.65 85.54 1.83 12.63 60.41 17.11 6.09 12.99 0.99 0.00 0.42 1.98 69 R C C 171.62 2.36 19.87 22.66 95.83 -156.01 -76.10 -15.93 99.07 0.24 0.69 60.97 32.10 6.03 0.43 0.22 0.00 0.08 0.16 70 D C C 62.17 8.50 15.20 25.13 109.62 86.95 -100.22 109.47 99.32 0.22 0.45 79.51 18.30 1.51 0.28 0.13 0.00 0.06 0.21 71 K H H 120.29 8.27 14.32 24.32 93.08 -162.91 -63.13 -33.12 4.96 0.00 95.03 0.79 1.11 2.63 94.96 0.51 0.00 0.00 0.00 72 D H H 101.81 1.96 21.30 22.61 91.62 57.42 -64.73 -38.90 2.11 0.00 97.89 0.15 0.17 1.61 97.64 0.43 0.00 0.00 0.00 73 V H H 13.92 17.46 17.57 35.45 92.97 47.32 -65.75 -42.74 0.69 0.00 99.30 0.09 0.04 0.44 99.08 0.34 0.00 0.00 0.00 74 V H H 5.96 23.24 16.77 40.14 91.21 51.04 -62.19 -44.01 0.08 0.00 99.92 0.01 0.00 0.04 99.91 0.03 0.00 0.00 0.00 75 H H H 87.89 6.95 24.12 31.38 91.53 50.56 -63.09 -42.17 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 76 T H H 45.76 7.54 23.96 32.17 91.68 50.14 -63.76 -42.62 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 77 L H H 2.36 25.86 18.53 44.83 91.37 48.63 -63.30 -43.55 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 78 F H H 27.74 21.13 19.87 39.84 92.99 44.65 -68.26 -39.09 0.22 0.00 99.78 0.00 0.00 0.20 99.75 0.04 0.00 0.00 0.00 79 A H H 63.66 4.16 23.10 27.20 98.16 40.10 -82.78 -38.48 2.80 0.00 97.20 0.02 0.04 3.11 96.68 0.15 0.00 0.00 0.00 80 E H H 91.68 6.76 22.17 29.33 104.50 27.54 -101.04 -36.79 28.34 0.00 71.66 0.08 0.39 29.62 69.49 0.41 0.01 0.00 0.00 81 I H H 5.36 23.57 18.05 41.86 100.84 32.74 -91.43 -38.65 30.07 0.03 69.90 0.40 1.49 28.46 68.55 1.04 0.04 0.01 0.03 82 G H H 5.92 21.52 16.26 37.59 91.75 64.20 -58.98 -44.77 5.39 0.01 94.60 0.93 0.40 3.29 62.10 33.26 0.00 0.01 0.00 83 P H H 77.18 4.03 23.05 27.06 91.03 51.56 -64.39 -33.55 2.56 0.00 97.43 0.15 0.11 2.05 59.80 37.88 0.00 0.00 0.00 84 F H H 85.54 9.56 20.67 30.61 92.01 51.52 -69.05 -29.36 2.63 0.00 97.36 0.11 0.12 2.18 64.32 33.27 0.00 0.00 0.00 85 Y H H 11.92 22.66 14.15 37.25 99.34 38.16 -105.96 0.43 20.58 0.10 79.32 1.35 1.66 15.38 57.56 23.87 0.06 0.04 0.07 86 A C T 44.71 14.63 15.15 29.73 93.14 98.30 -60.98 -31.49 92.23 0.21 7.56 2.99 3.46 85.87 5.83 1.57 0.00 0.08 0.20 87 D C T 124.47 1.02 19.96 19.30 95.82 44.87 -90.62 6.04 97.83 0.10 2.07 2.79 5.84 89.59 0.58 1.10 0.00 0.06 0.05 88 R C C 72.03 15.81 11.30 26.76 119.63 107.28 -90.20 139.41 98.58 0.78 0.64 81.03 16.21 1.29 0.21 0.39 0.00 0.31 0.56 89 N C T 124.86 2.00 20.99 22.62 108.34 -124.08 -79.57 125.64 95.73 3.17 1.09 18.91 26.25 50.79 0.12 1.15 0.00 1.87 0.91 90 G C T 24.03 10.95 19.54 30.82 126.55 10.94 119.73 -9.62 90.26 8.85 0.89 7.14 31.93 51.65 0.04 1.03 0.00 7.55 0.66 91 G C C 11.36 18.41 19.36 36.91 127.43 -142.90 121.20 172.93 70.00 29.32 0.68 54.28 12.21 2.45 0.07 0.79 0.00 29.21 0.98 92 Y E E 44.97 17.14 25.31 41.48 133.13 -142.05 -136.16 157.50 13.08 86.86 0.06 11.29 1.67 0.13 0.01 0.04 0.00 86.24 0.61 93 T E E 6.84 24.63 19.62 44.20 127.59 -142.23 -121.91 141.06 1.56 98.43 0.00 1.37 0.09 0.01 0.00 0.00 0.00 98.50 0.04 94 R E E 74.99 12.27 26.61 38.85 127.80 -166.59 -127.26 140.30 0.49 99.51 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.54 0.01 95 I E E 28.68 21.02 18.74 39.12 119.17 -151.12 -108.14 127.70 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 96 I E E 41.60 12.62 21.04 34.55 122.80 -169.20 -117.89 133.83 0.70 99.30 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 97 K E E 92.97 10.47 20.46 31.19 114.12 -128.96 -84.67 128.35 2.47 97.52 0.01 2.23 0.08 0.01 0.00 0.00 0.00 97.63 0.05 98 V E E 39.41 16.05 14.90 30.86 113.37 -175.10 -106.18 124.06 15.95 83.99 0.06 14.29 1.33 0.11 0.01 0.03 0.00 83.87 0.35 99 E E E 97.94 4.89 19.92 25.14 131.07 -26.47 -128.43 153.16 30.53 69.37 0.11 25.25 4.57 0.37 0.02 0.08 0.00 69.05 0.65 100 N E E 95.57 6.96 14.49 22.76 114.34 -99.14 -70.03 143.03 47.62 51.95 0.43 43.54 2.81 0.50 0.15 0.28 0.00 49.89 2.83 101 R C C 84.60 11.25 8.95 20.98 114.33 -126.47 -86.73 132.50 72.07 27.02 0.91 64.45 5.21 1.21 0.40 0.59 0.00 20.16 7.98 102 K C T 169.51 1.09 11.76 13.36 108.65 -108.55 -66.13 130.90 90.06 4.08 5.86 9.11 25.93 54.68 0.42 5.89 0.00 2.94 1.02 103 G C T 68.30 0.35 11.90 10.30 98.67 16.13 81.74 -5.39 91.58 1.11 7.32 4.75 25.16 60.71 0.34 7.88 0.00 0.66 0.48 104 D C T 75.38 6.61 8.93 16.88 116.33 69.47 -110.20 133.59 90.49 1.64 7.87 10.13 35.95 43.31 0.38 8.60 0.00 0.89 0.73 105 N C S 126.05 2.09 14.75 17.60 96.98 -132.25 -74.66 12.93 95.66 2.97 1.36 20.66 41.97 33.01 0.10 1.53 0.00 2.12 0.61 106 A C C 29.50 11.16 13.05 25.87 121.20 120.25 -84.27 149.81 79.57 20.31 0.12 54.25 26.14 0.55 0.02 0.11 0.00 17.00 1.92 107 P E E 38.91 11.36 18.53 31.00 114.77 -105.18 -67.66 147.22 47.12 52.84 0.05 44.76 1.40 0.11 0.01 0.03 0.00 51.54 2.15 108 M E E 36.85 16.16 19.94 36.10 127.09 -150.80 -119.23 147.49 11.53 88.45 0.02 9.87 1.48 0.07 0.00 0.01 0.00 88.13 0.43 109 A E E 5.68 22.01 19.43 41.70 126.95 -154.99 -120.19 143.09 1.33 98.67 0.00 1.22 0.06 0.00 0.00 0.00 0.00 98.67 0.04 110 V E E 26.25 13.40 26.01 40.21 118.85 -147.83 -108.15 129.28 0.58 99.42 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 111 I E E 4.02 25.54 19.56 45.76 119.83 -163.52 -111.33 129.84 0.54 99.45 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 112 E E E 50.26 11.97 26.97 39.38 123.20 -168.24 -117.39 135.26 0.60 99.38 0.01 0.57 0.02 0.00 0.00 0.01 0.00 99.38 0.01 113 L E E 14.65 21.59 18.73 40.48 115.13 -133.68 -88.43 129.73 2.51 97.47 0.02 2.31 0.12 0.01 0.00 0.01 0.00 97.43 0.11 114 V E E 30.20 13.46 18.87 33.43 118.79 -160.94 -106.36 136.77 18.11 81.71 0.18 15.93 1.91 0.26 0.06 0.10 0.00 80.93 0.81 115 R C E 112.77 9.50 15.48 25.82 116.15 -138.63 -98.17 135.86 51.17 48.27 0.57 35.65 14.35 1.97 0.11 0.47 0.00 46.37 1.07 116 E C C 116.70 5.88 12.49 19.97 114.28 -123.14 -84.88 135.61 80.92 18.66 0.42 76.00 2.89 1.15 0.08 0.33 0.00 18.64 0.92 117 K C C 144.83 3.72 13.22 18.77 111.00 -116.26 -78.85 132.47 99.82 0.17 0.01 99.79 0.07 0.03 0.00 0.00 0.00 0.10 0.01