# 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 17.86 21.10 17.13 37.96 121.43 -163.02 -107.98 134.60 99.25 0.74 0.01 99.24 0.15 0.03 0.00 0.00 0.00 0.55 0.03 1 Q E E 74.54 8.70 22.29 31.46 122.32 -159.78 -113.24 134.45 16.34 83.49 0.17 15.60 0.57 0.10 0.13 0.07 0.00 70.97 12.57 2 I E E 19.10 20.99 13.47 34.13 116.74 -165.92 -118.83 119.61 10.58 88.82 0.60 5.78 2.97 1.42 0.38 0.37 0.00 73.36 15.71 3 Q C T 78.58 11.23 15.61 27.74 93.99 -16.05 55.33 40.15 98.77 0.66 0.57 1.11 3.98 93.86 0.05 0.44 0.00 0.42 0.14 4 R C T 181.35 2.40 17.63 20.40 94.24 -51.82 67.19 16.08 99.43 0.18 0.39 1.14 4.28 94.05 0.02 0.36 0.00 0.12 0.03 5 V E E 43.22 13.75 11.80 26.39 120.65 117.14 -108.51 134.52 11.67 88.19 0.14 6.01 5.18 0.80 0.07 0.10 0.00 72.32 15.53 6 T E E 89.91 3.82 20.85 25.35 110.60 -129.96 -86.85 120.48 34.18 65.77 0.04 28.69 4.33 0.36 0.01 0.04 0.00 63.71 2.87 7 L C C 13.38 23.47 10.20 33.14 118.03 -155.75 -95.45 133.56 92.70 7.29 0.01 91.07 2.26 0.03 0.00 0.01 0.00 6.03 0.61 8 P C C 52.22 5.43 20.91 27.22 113.22 -108.59 -65.05 142.69 99.50 0.45 0.06 98.99 0.50 0.12 0.01 0.03 0.00 0.25 0.09 9 P C T 72.74 12.60 13.72 26.61 91.73 -124.91 -62.55 -24.58 98.38 0.36 1.25 2.24 10.26 85.96 0.07 1.14 0.00 0.21 0.12 10 H C T 139.94 2.81 19.55 22.78 94.35 57.08 -89.27 -0.84 96.65 1.99 1.37 3.99 6.12 86.75 0.10 1.23 0.00 1.66 0.14 11 Q C C 46.77 14.77 15.90 31.25 116.77 112.82 -75.89 139.82 87.57 11.31 1.12 63.48 23.98 0.93 0.31 0.82 0.00 8.42 2.06 12 C E B 33.67 12.87 23.65 36.72 113.64 -123.33 -81.21 137.03 12.13 87.50 0.37 10.73 0.29 0.05 0.35 0.05 0.00 17.98 70.57 13 V H H 2.25 27.19 19.35 47.24 94.05 -140.04 -66.20 -35.98 16.80 5.57 77.63 6.94 2.57 8.99 69.10 7.37 0.19 4.11 0.74 14 Y H H 50.23 19.12 23.49 41.13 91.31 61.19 -62.29 -40.09 10.86 1.22 87.92 0.90 1.09 9.81 77.77 9.35 0.05 0.90 0.12 15 M H H 58.33 9.03 27.20 37.21 91.51 51.37 -64.75 -40.80 1.90 0.04 98.06 0.22 0.17 1.55 82.98 15.03 0.00 0.04 0.01 16 A H H 4.50 22.14 22.24 44.14 91.54 51.53 -64.79 -39.82 1.30 0.02 98.69 0.16 0.10 1.01 79.38 19.34 0.00 0.01 0.00 17 L H H 2.13 26.88 19.24 46.71 90.99 53.92 -65.96 -33.25 2.32 0.02 97.66 0.13 0.14 2.01 70.67 27.02 0.00 0.01 0.00 18 K H H 89.77 12.89 22.96 35.25 90.81 60.66 -68.68 -23.51 19.33 0.04 80.62 0.40 0.64 18.50 52.58 27.80 0.03 0.02 0.03 19 K C T 88.03 11.38 23.16 34.59 93.16 59.96 -80.16 -11.53 52.98 0.16 46.86 1.11 2.95 49.66 25.10 20.91 0.04 0.07 0.15 20 V C S 7.90 24.43 15.91 40.45 116.60 88.50 -91.82 133.99 93.28 3.73 2.98 7.81 80.90 3.53 2.65 0.34 0.03 0.77 3.98 21 F C T 86.34 12.87 23.57 35.69 108.41 -88.01 -68.37 121.06 97.55 0.66 1.79 0.70 9.68 87.68 0.46 0.80 0.00 0.27 0.41 22 G C T 34.87 9.65 22.52 32.33 96.26 3.64 85.60 -1.91 99.49 0.08 0.43 1.89 11.84 85.84 0.10 0.25 0.00 0.05 0.03 23 L C C 11.35 23.68 13.04 36.61 115.69 112.46 -102.51 124.83 97.31 2.28 0.41 81.85 12.93 1.29 0.22 0.17 0.00 0.49 3.05 24 G C C 28.30 6.69 23.38 30.08 131.63 -161.38 -108.54 175.01 99.39 0.26 0.34 96.38 2.68 0.34 0.23 0.04 0.00 0.06 0.26 25 G H H 39.91 10.71 17.44 28.25 94.60 -78.35 -58.83 -46.98 7.41 0.01 92.58 1.29 1.72 3.62 92.90 0.47 0.00 0.00 0.01 26 P H H 97.26 2.04 22.97 23.94 92.25 43.86 -64.78 -39.63 4.34 0.01 95.65 0.73 0.47 2.68 95.59 0.52 0.00 0.00 0.00 27 T H H 36.84 13.18 20.20 33.43 92.28 49.51 -66.06 -40.74 1.15 0.00 98.85 0.35 0.11 0.51 98.73 0.30 0.00 0.00 0.00 28 S H H 2.84 25.20 15.74 41.24 91.20 51.79 -62.74 -43.05 0.20 0.00 99.80 0.05 0.01 0.08 99.82 0.04 0.00 0.00 0.00 29 L H H 74.71 9.60 23.80 33.35 91.46 51.06 -63.36 -41.18 0.06 0.00 99.94 0.01 0.00 0.03 99.96 0.01 0.00 0.00 0.00 30 A H H 46.02 4.79 25.41 30.40 91.45 50.83 -63.58 -42.45 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 31 V H H 4.46 23.07 19.70 42.87 91.65 49.30 -63.96 -44.19 0.05 0.00 99.95 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 32 V H H 8.54 22.23 18.01 40.09 91.46 49.77 -62.84 -43.31 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 E H H 131.43 2.58 22.69 25.32 91.44 50.01 -63.40 -40.67 0.16 0.00 99.84 0.01 0.00 0.12 99.79 0.07 0.00 0.00 0.00 34 A H H 58.50 7.84 19.83 28.33 91.02 51.97 -66.20 -31.68 1.63 0.00 98.37 0.02 0.03 1.69 98.11 0.15 0.00 0.00 0.00 35 C H H 15.39 20.22 14.12 34.33 95.47 42.72 -90.17 -5.79 39.34 0.01 60.65 0.20 0.72 39.21 59.28 0.57 0.01 0.00 0.01 36 G C T 54.81 2.11 23.03 24.82 94.10 -115.58 75.05 23.25 99.91 0.00 0.09 3.23 1.13 95.59 0.03 0.02 0.00 0.00 0.00 37 I C C 14.90 23.37 10.02 32.61 120.76 144.20 -96.20 140.02 99.40 0.56 0.03 96.01 3.23 0.05 0.01 0.01 0.00 0.12 0.57 38 S C C 63.90 3.65 23.80 26.79 110.65 -123.40 -80.28 128.76 99.78 0.18 0.03 99.40 0.36 0.06 0.01 0.01 0.00 0.04 0.12 39 K C T 94.80 16.21 13.48 28.82 93.32 -133.13 -64.57 -19.69 99.78 0.07 0.15 0.78 3.26 95.80 0.01 0.08 0.00 0.04 0.02 40 G C T 52.98 2.75 21.00 24.05 93.05 58.30 -86.56 -1.02 99.88 0.05 0.07 0.70 2.75 96.45 0.00 0.05 0.00 0.03 0.01 41 V C C 30.86 14.14 14.50 30.09 117.05 122.05 -71.59 141.70 99.16 0.83 0.01 78.94 20.24 0.09 0.00 0.01 0.00 0.37 0.34 42 R E B 85.02 7.92 23.87 32.16 118.63 -121.20 -79.28 148.27 24.90 75.07 0.03 22.19 0.21 0.00 0.02 0.00 0.00 4.62 72.95 43 V H G 7.34 25.36 13.28 39.30 90.67 -119.10 -58.42 -36.58 8.27 0.06 91.67 0.43 0.62 5.72 0.43 92.75 0.00 0.04 0.00 44 R H G 128.75 8.50 20.46 29.72 89.95 63.87 -66.85 -20.40 7.81 0.02 92.17 0.11 0.38 6.09 0.28 93.13 0.00 0.01 0.00 45 D H G 89.28 4.39 21.70 26.64 94.38 55.82 -93.41 -1.25 8.04 0.04 91.92 0.46 0.84 4.85 0.32 93.51 0.00 0.02 0.00 46 L C C 10.95 24.37 8.22 31.38 116.03 110.87 -74.08 138.60 99.03 0.54 0.43 74.32 24.25 0.26 0.14 0.24 0.00 0.10 0.69 47 K C C 105.31 2.71 21.85 23.60 123.04 -136.30 -86.29 163.25 99.45 0.36 0.19 98.51 0.89 0.04 0.14 0.01 0.00 0.06 0.36 48 E H H 122.64 6.28 14.18 22.27 91.13 -102.31 -57.54 -38.77 1.39 0.00 98.60 0.18 0.21 0.89 97.94 0.78 0.00 0.00 0.00 49 N H H 111.01 1.46 19.30 19.56 91.61 52.70 -64.37 -38.80 0.75 0.00 99.24 0.07 0.05 0.56 98.47 0.86 0.00 0.00 0.00 50 H H H 43.38 14.31 16.60 31.24 92.30 48.59 -66.41 -40.27 0.44 0.00 99.56 0.07 0.03 0.29 98.58 1.03 0.00 0.00 0.00 51 V H H 13.91 20.21 15.36 35.54 91.50 51.65 -62.98 -42.83 0.19 0.00 99.81 0.05 0.01 0.10 99.72 0.12 0.00 0.00 0.00 52 Q H H 96.24 3.33 23.06 25.97 91.35 50.93 -63.96 -40.70 0.25 0.00 99.75 0.03 0.01 0.17 99.70 0.09 0.00 0.00 0.00 53 Q H H 77.08 6.12 22.38 28.87 91.56 50.65 -64.83 -41.13 0.27 0.00 99.73 0.02 0.01 0.20 99.70 0.08 0.00 0.00 0.00 54 I H H 4.26 24.25 17.05 41.60 91.62 50.02 -63.87 -42.99 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 55 T H H 35.84 13.95 20.21 34.22 91.53 51.89 -62.68 -42.12 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 56 Q H H 98.21 2.13 23.40 23.82 91.44 50.87 -64.18 -41.59 0.20 0.00 99.80 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 57 F H H 36.37 11.68 18.09 31.24 91.97 49.55 -64.81 -42.43 0.48 0.00 99.52 0.05 0.03 0.33 99.49 0.10 0.00 0.00 0.00 58 I H H 12.15 21.74 13.43 34.86 92.85 47.80 -66.30 -41.05 1.38 0.01 98.62 0.20 0.12 0.95 98.45 0.28 0.00 0.00 0.00 59 Q H H 104.63 6.28 16.82 24.15 93.97 47.12 -69.51 -34.94 7.16 0.02 92.83 0.60 0.43 5.90 92.34 0.71 0.01 0.01 0.01 60 D H H 111.88 1.33 17.70 17.84 99.03 33.52 -87.92 -28.18 30.60 0.03 69.38 0.93 1.43 27.59 68.90 1.10 0.01 0.01 0.02 61 N C H 87.87 6.35 15.88 23.19 104.34 23.73 -108.54 -12.16 51.37 0.13 48.51 3.88 4.53 40.41 49.74 1.29 0.02 0.04 0.09 62 F C C 51.91 17.00 12.09 28.43 118.45 57.00 -118.17 120.35 92.53 3.09 4.38 68.03 18.31 5.98 3.49 1.20 0.00 1.80 1.21 63 V C C 72.87 8.24 18.56 27.60 117.94 -159.85 -104.67 130.26 85.67 12.12 2.21 80.98 3.41 1.53 1.58 0.67 0.00 8.13 3.70 64 T C C 40.10 14.99 13.48 28.47 118.34 -166.22 -105.30 140.27 78.29 16.27 5.44 70.03 5.32 2.23 4.60 1.42 0.00 9.42 6.97 65 E C H 107.56 7.33 15.86 23.92 101.05 -109.98 -63.86 -36.57 51.80 4.20 44.00 14.31 11.05 26.72 26.74 16.72 0.42 2.51 1.52 66 D C T 94.63 3.99 16.15 20.95 100.64 45.45 -77.85 -9.72 55.31 1.40 43.28 9.44 12.13 33.35 27.38 16.02 0.17 0.70 0.82 67 N C H 70.81 6.93 16.23 24.22 100.05 55.98 -83.44 39.86 49.96 1.58 48.46 31.14 6.50 12.48 34.80 13.47 0.01 0.81 0.78 68 L H H 28.68 17.69 13.33 30.86 93.93 106.47 -64.60 -38.15 8.08 0.11 91.81 4.56 1.23 2.58 89.97 1.57 0.00 0.05 0.04 69 R H H 108.55 10.02 18.05 28.43 92.09 54.34 -63.32 -41.24 1.91 0.02 98.07 0.68 0.26 0.91 97.43 0.70 0.00 0.01 0.00 70 R H H 129.15 2.52 21.01 22.80 92.03 49.77 -65.64 -40.85 0.94 0.01 99.04 0.34 0.11 0.45 98.59 0.51 0.00 0.01 0.00 71 K H H 82.02 8.34 19.74 28.76 92.15 49.60 -65.58 -41.07 0.56 0.00 99.43 0.17 0.06 0.27 99.25 0.24 0.00 0.00 0.00 72 V H H 16.79 19.37 16.18 35.45 92.01 50.00 -64.27 -42.60 0.45 0.00 99.54 0.11 0.03 0.24 99.50 0.12 0.00 0.00 0.00 73 R H H 115.00 7.23 20.88 28.66 91.60 51.37 -62.89 -41.41 0.36 0.00 99.64 0.05 0.02 0.21 99.62 0.09 0.00 0.00 0.00 74 E H H 96.77 2.90 22.83 24.86 91.73 49.91 -64.85 -41.15 0.39 0.00 99.61 0.04 0.02 0.25 99.61 0.07 0.00 0.00 0.00 75 D H H 28.09 14.91 19.44 34.54 91.96 49.92 -65.33 -41.18 0.62 0.00 99.38 0.06 0.03 0.42 99.43 0.07 0.00 0.00 0.00 76 I H H 21.09 19.10 17.91 36.79 91.78 50.57 -64.17 -42.13 0.50 0.00 99.50 0.04 0.03 0.34 99.53 0.06 0.00 0.00 0.00 77 V H H 77.39 3.76 23.11 26.51 91.61 50.62 -63.74 -41.86 0.27 0.00 99.72 0.03 0.01 0.16 99.71 0.07 0.00 0.00 0.00 78 K H H 88.11 5.44 21.76 27.49 91.81 49.66 -64.88 -41.23 0.52 0.00 99.48 0.05 0.03 0.37 99.38 0.18 0.00 0.00 0.00 79 L H H 12.25 19.04 14.64 34.27 91.75 50.79 -64.14 -41.46 0.86 0.00 99.14 0.10 0.06 0.58 98.67 0.60 0.00 0.00 0.00 80 V H H 60.58 10.77 16.89 28.14 92.17 50.53 -65.10 -40.27 2.04 0.01 97.95 0.23 0.13 1.49 97.37 0.76 0.00 0.00 0.00 81 N H H 117.53 1.59 19.46 20.36 91.44 52.57 -66.21 -32.45 8.30 0.01 91.69 0.33 0.40 7.35 91.32 0.58 0.01 0.00 0.01 82 I C T 68.89 9.07 14.97 25.21 94.91 49.34 -88.50 -2.89 56.81 0.10 43.09 1.62 4.51 48.17 44.65 0.92 0.02 0.03 0.08 83 K C T 141.85 4.51 19.01 24.63 94.78 -120.86 60.73 37.01 98.08 0.12 1.80 20.38 7.02 70.74 1.46 0.29 0.00 0.05 0.06 84 S C C 19.93 15.98 14.55 30.99 124.11 149.22 -89.35 158.84 94.43 1.28 4.28 78.98 13.48 1.34 4.10 0.54 0.00 0.30 1.25 85 R H H 97.36 10.92 21.81 33.24 92.49 -112.25 -62.94 -35.80 13.40 0.09 86.50 2.41 3.26 8.29 83.85 2.04 0.05 0.03 0.07 86 D H H 42.81 14.49 21.09 35.18 92.11 55.26 -64.19 -40.70 7.90 0.04 92.06 0.96 0.91 5.88 90.15 2.05 0.02 0.02 0.02 87 G H H 7.36 14.02 18.55 34.03 91.83 51.93 -63.73 -42.33 5.40 0.05 94.55 1.30 0.64 3.27 91.99 2.74 0.01 0.03 0.01 88 L H H 45.93 9.04 21.03 31.17 91.71 50.00 -64.50 -42.29 2.76 0.04 97.20 0.83 0.39 1.47 95.40 1.88 0.01 0.02 0.01 89 R H H 55.53 10.98 18.23 30.31 91.95 50.28 -64.55 -42.25 2.54 0.05 97.40 0.61 0.31 1.57 95.02 2.44 0.01 0.03 0.01 90 H H H 59.16 13.06 15.84 29.22 92.28 49.69 -65.12 -40.98 2.40 0.02 97.58 0.36 0.18 1.67 93.45 4.33 0.00 0.01 0.00 91 D H H 79.78 8.64 17.12 26.56 91.15 52.60 -66.62 -29.40 9.03 0.02 90.94 0.42 0.43 8.06 86.99 4.06 0.02 0.01 0.01 92 W C T 142.19 5.48 16.33 22.89 93.86 48.60 -91.35 1.57 65.96 0.04 34.01 0.50 1.32 65.75 29.21 3.17 0.01 0.01 0.04 93 G C T 52.51 3.04 17.24 21.01 96.12 -103.25 84.24 10.15 99.72 0.01 0.28 1.48 1.40 96.95 0.11 0.04 0.00 0.00 0.00 94 V C C 48.65 10.96 11.61 24.13 116.76 142.46 -92.03 132.58 99.45 0.43 0.13 92.59 6.61 0.26 0.05 0.05 0.00 0.15 0.29 95 S C C 61.84 5.03 18.72 24.34 112.45 -109.38 -68.74 140.97 97.77 1.66 0.57 92.77 4.00 0.99 0.20 0.28 0.00 0.64 1.12 96 I C C 53.31 16.54 10.72 26.49 116.42 -161.95 -106.08 130.96 88.84 8.81 2.35 68.53 13.96 5.19 0.77 1.64 0.00 3.42 6.50 97 K C C 131.44 4.36 14.95 20.55 111.28 -97.29 -91.56 122.18 89.98 6.50 3.53 50.74 21.70 17.92 0.99 2.43 0.00 3.43 2.78 98 G C C 50.10 4.42 13.00 18.34 110.39 1.22 83.41 -0.98 95.41 2.05 2.53 54.99 21.59 18.94 0.68 1.79 0.00 1.12 0.89 99 H C C 132.56 4.22 12.12 17.66 107.15 -6.96 -92.01 40.01 96.41 1.51 2.08 80.19 10.81 5.55 0.85 1.06 0.00 0.83 0.71 100 T C C 83.40 5.88 11.75 18.96 112.56 98.84 -97.73 117.43 93.99 1.80 4.21 79.72 9.21 5.12 2.83 1.34 0.00 1.04 0.75 101 S C C 72.87 5.17 13.05 19.62 112.25 -142.54 -88.21 119.23 87.91 3.81 8.28 70.78 10.01 6.61 6.43 2.20 0.00 2.13 1.84 102 C C C 66.94 8.82 12.10 21.80 115.21 -149.29 -97.47 135.07 80.96 4.55 14.49 62.16 11.06 7.04 11.92 3.11 0.00 2.47 2.24 103 N C C 86.59 6.84 14.70 22.40 103.34 -151.03 -88.12 3.02 72.85 3.13 24.02 54.37 9.88 8.18 19.99 4.43 0.00 1.62 1.53 104 G C H 31.63 11.03 12.43 23.92 96.34 62.85 -65.95 -23.36 53.12 1.77 45.11 31.58 10.32 11.95 34.73 9.70 0.02 0.89 0.81 105 K H H 122.73 4.98 15.08 21.15 95.79 63.89 -77.96 -16.51 46.60 2.09 51.31 25.36 9.85 12.46 39.65 10.66 0.05 1.11 0.86 106 T H H 69.89 6.83 13.57 21.65 101.23 55.14 -88.51 0.11 46.11 2.77 51.12 26.25 10.20 10.98 39.75 10.15 0.06 1.48 1.13 107 A C C 49.98 10.08 10.21 21.11 108.84 95.38 -79.68 111.65 55.28 1.97 42.75 35.62 11.08 9.35 35.17 6.90 0.02 0.96 0.90 108 K C C 140.52 3.32 12.23 16.95 102.77 62.39 -81.37 0.31 63.98 1.83 34.20 38.46 13.95 12.26 26.74 6.79 0.02 0.86 0.93 109 R C C 148.80 3.80 10.25 15.77 111.34 65.28 -87.39 128.74 74.22 1.60 24.18 43.06 19.23 12.33 16.85 6.90 0.00 0.73 0.89 110 L C C 107.27 5.39 8.51 15.51 109.13 -113.13 -78.69 131.21 80.10 2.23 17.68 57.45 11.74 10.70 11.85 5.86 0.00 1.13 1.27 111 R C C 168.45 2.60 9.01 13.41 110.13 -141.68 -88.23 121.64 91.47 1.39 7.14 84.25 1.95 6.08 4.51 1.73 0.00 0.68 0.80 112 H C C 143.88 3.06 10.62 15.33 109.26 -128.76 -89.67 110.71 99.92 0.05 0.02 99.77 0.11 0.08 0.01 0.00 0.00 0.02 0.01