# 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 104.46 8.25 12.86 21.94 115.95 -159.07 -92.33 133.97 99.88 0.10 0.01 99.82 0.08 0.04 0.00 0.00 0.00 0.04 0.01 1 A C C 75.44 5.24 11.10 17.73 113.31 -139.95 -84.05 136.19 93.10 4.43 2.46 78.80 2.30 12.31 1.00 1.05 0.00 2.80 1.75 2 G C C 49.93 4.95 9.90 16.35 117.47 -143.17 -100.25 154.22 92.69 4.77 2.53 50.27 25.81 16.83 0.79 1.72 0.00 2.55 2.03 3 R C C 151.50 4.28 10.52 16.61 117.25 -105.73 -93.03 139.17 92.93 3.23 3.84 60.69 28.81 3.70 2.07 1.60 0.00 1.51 1.62 4 P C C 90.32 4.65 11.78 18.08 112.41 -105.52 -71.50 147.29 88.39 1.79 9.82 72.29 9.50 6.96 5.28 4.17 0.00 1.05 0.75 5 A C C 73.34 5.39 11.48 18.46 109.99 -108.71 -76.75 138.13 82.81 3.45 13.75 65.46 9.84 7.59 7.86 5.70 0.00 2.05 1.50 6 V C C 82.89 8.06 10.09 19.25 112.92 -145.05 -94.58 126.96 76.88 6.86 16.26 59.45 10.58 6.30 11.30 5.42 0.01 4.07 2.87 7 S C C 67.95 4.67 12.35 18.39 112.31 -152.23 -91.76 131.80 76.86 5.18 17.96 57.98 10.23 7.97 13.37 5.35 0.01 3.21 1.88 8 A C C 74.72 4.38 11.54 17.48 102.85 -136.65 -79.74 -7.37 72.05 2.96 24.98 33.94 17.69 21.04 17.72 6.83 0.04 1.52 1.22 9 S C C 70.41 3.73 12.82 17.61 103.47 58.76 -82.71 -9.03 72.59 1.78 25.63 34.68 17.08 21.37 18.94 6.20 0.02 0.79 0.92 10 S C H 54.59 6.80 10.87 19.07 102.29 69.89 -78.16 -14.30 56.25 0.97 42.78 30.10 16.00 11.15 37.44 4.42 0.02 0.36 0.51 11 R H H 159.80 2.16 13.72 16.65 94.45 82.55 -66.09 -35.78 22.73 0.52 76.75 9.31 5.20 9.89 70.19 4.86 0.05 0.26 0.24 12 W H H 149.82 2.83 14.63 18.09 93.00 53.21 -66.48 -39.99 12.33 0.46 87.21 5.00 2.20 5.97 81.21 5.13 0.05 0.29 0.15 13 L H H 60.18 8.99 13.49 23.72 93.11 50.40 -66.35 -40.21 7.06 0.22 92.71 3.52 1.15 3.02 88.47 3.60 0.02 0.15 0.06 14 E H H 89.47 6.13 15.56 22.93 92.34 52.25 -64.76 -40.80 4.51 0.07 95.41 1.72 0.66 2.31 93.75 1.49 0.01 0.04 0.02 15 G H H 33.38 3.02 17.23 20.65 92.17 50.92 -63.78 -41.46 5.77 0.06 94.17 1.53 0.71 3.59 92.96 1.14 0.02 0.03 0.02 16 I H H 75.93 5.24 17.08 23.17 92.47 49.52 -65.79 -41.55 3.65 0.03 96.32 1.01 0.42 2.11 95.68 0.74 0.01 0.01 0.01 17 R H H 87.47 11.04 15.81 27.29 92.07 51.99 -63.81 -41.03 1.23 0.01 98.76 0.33 0.11 0.63 98.65 0.27 0.00 0.00 0.00 18 K H H 108.51 5.40 17.66 24.01 92.00 51.66 -63.70 -40.71 0.61 0.00 99.38 0.11 0.04 0.36 99.30 0.18 0.00 0.00 0.00 19 W H H 141.68 2.67 19.04 21.29 92.44 50.03 -64.99 -41.82 0.40 0.00 99.60 0.06 0.03 0.25 99.48 0.17 0.00 0.00 0.00 20 Y H H 83.63 8.67 17.02 26.69 92.45 48.89 -65.05 -41.88 0.51 0.00 99.48 0.06 0.04 0.36 99.31 0.23 0.00 0.00 0.00 21 Y H H 63.22 12.98 14.78 28.32 92.72 49.25 -64.62 -41.39 1.19 0.01 98.81 0.12 0.09 0.90 98.48 0.40 0.01 0.00 0.00 22 N H H 91.48 4.78 17.30 22.99 92.52 49.65 -66.16 -38.78 3.90 0.01 96.08 0.27 0.24 3.32 95.51 0.64 0.02 0.01 0.00 23 A H H 67.06 3.89 17.44 21.86 92.23 52.49 -69.09 -30.19 13.48 0.03 86.49 0.49 0.77 12.35 85.41 0.93 0.03 0.01 0.02 24 A C T 39.22 10.47 14.31 25.83 95.26 53.93 -83.47 -6.40 69.47 0.24 30.29 1.63 5.92 60.12 30.30 1.68 0.05 0.08 0.22 25 G C T 30.96 6.50 18.54 26.35 97.40 -114.51 78.93 9.70 89.16 0.26 10.58 10.17 7.56 71.26 8.23 2.47 0.00 0.11 0.21 26 F H H 38.03 17.89 13.12 31.02 94.39 127.00 -67.26 -35.34 32.95 0.50 66.55 8.19 5.18 18.68 39.00 28.30 0.10 0.23 0.31 27 N H G 76.25 11.41 15.91 27.47 92.68 60.13 -66.05 -27.22 22.32 0.47 77.20 2.91 2.53 14.92 36.92 42.10 0.14 0.26 0.21 28 K H G 145.56 2.44 19.36 21.99 92.22 57.59 -71.85 -23.77 23.24 0.40 76.36 2.17 2.65 16.14 37.44 40.96 0.20 0.22 0.22 29 L H T 65.89 11.32 15.77 27.57 95.52 53.70 -88.37 -3.67 43.08 0.73 56.19 3.04 7.60 30.30 30.06 27.73 0.35 0.35 0.58 30 G C T 29.39 8.12 20.10 29.22 105.08 -109.26 86.30 19.82 96.61 0.80 2.58 28.90 9.75 58.40 1.25 0.95 0.00 0.43 0.32 31 L C C 33.01 19.54 13.26 32.58 111.80 139.70 -86.89 127.59 90.41 3.66 5.93 82.10 4.81 3.25 3.59 2.20 0.00 1.81 2.25 32 M C C 71.96 10.12 19.02 29.39 119.83 -147.35 -102.37 146.02 77.97 5.25 16.78 63.39 7.96 5.90 9.66 7.00 0.00 2.24 3.84 33 R H G 125.51 10.79 15.99 26.82 95.27 -118.75 -65.04 -30.84 31.91 1.70 66.39 10.53 6.40 16.22 19.26 45.93 0.05 1.03 0.59 34 D H G 96.95 5.06 18.42 24.09 94.13 63.51 -74.87 -13.02 31.93 0.79 67.28 6.70 5.47 19.55 18.49 48.97 0.03 0.45 0.33 35 D H G 51.24 13.84 14.68 28.57 97.89 63.43 -90.54 1.29 36.02 1.08 62.90 14.56 7.48 14.93 15.37 46.61 0.02 0.58 0.46 36 T C C 42.53 15.37 13.94 29.17 119.84 90.34 -102.37 136.84 70.36 5.70 23.95 42.99 17.01 10.28 11.04 12.37 0.05 2.30 3.97 37 I C C 85.74 9.94 16.02 26.45 109.22 -144.91 -94.03 108.24 87.51 3.98 8.51 56.81 20.04 10.60 3.85 4.43 0.01 1.93 2.33 38 H C C 109.22 6.75 16.29 24.04 114.29 -13.10 -99.12 121.81 95.90 1.27 2.83 82.65 7.16 6.24 1.20 1.37 0.00 0.68 0.69 39 E C C 94.22 12.16 11.44 23.82 115.72 -157.89 -103.01 124.14 98.43 0.68 0.89 89.22 7.82 1.39 0.50 0.29 0.00 0.27 0.50 40 N C C 65.06 5.24 14.10 20.90 130.36 166.16 -126.41 171.33 98.84 0.23 0.93 87.56 10.51 0.71 0.81 0.13 0.00 0.06 0.21 41 D H H 120.94 1.21 14.89 15.90 91.81 -94.16 -60.83 -35.05 6.10 0.01 93.88 0.99 1.20 3.61 93.62 0.56 0.00 0.00 0.01 42 D H H 84.64 4.30 15.88 21.13 92.43 51.55 -66.49 -39.28 3.54 0.01 96.46 0.46 0.37 2.49 96.15 0.52 0.00 0.00 0.00 43 V H H 16.93 18.25 11.89 30.18 92.91 48.70 -66.59 -41.76 0.92 0.00 99.07 0.22 0.10 0.50 98.82 0.36 0.00 0.00 0.00 44 K H H 93.06 7.38 17.39 25.77 91.51 52.54 -62.21 -41.88 0.31 0.00 99.69 0.07 0.03 0.15 99.58 0.17 0.00 0.00 0.00 45 E H H 95.93 2.17 20.45 21.42 91.71 50.38 -64.06 -41.70 0.36 0.00 99.64 0.05 0.02 0.23 99.45 0.24 0.00 0.00 0.00 46 A H H 19.06 12.21 16.24 30.01 92.15 50.77 -64.64 -41.29 0.74 0.00 99.26 0.05 0.03 0.57 98.84 0.50 0.00 0.00 0.00 47 I H H 33.86 17.17 14.27 31.27 92.15 51.26 -65.89 -35.84 2.42 0.00 97.58 0.10 0.10 2.18 94.72 2.89 0.00 0.00 0.00 48 R H H 162.72 2.41 18.59 21.54 90.96 58.37 -67.40 -24.68 27.67 0.01 72.31 0.32 0.48 28.59 67.37 3.20 0.01 0.01 0.01 49 R C T 151.83 3.13 17.01 20.59 93.81 56.44 -84.92 -9.91 62.34 0.03 37.63 0.83 1.76 60.38 33.92 3.06 0.00 0.01 0.03 50 L C S 28.46 18.86 7.13 24.52 121.67 97.41 -82.78 148.36 99.74 0.12 0.14 6.04 93.51 0.26 0.08 0.01 0.00 0.02 0.09 51 P C C 70.34 3.09 16.51 20.08 114.41 -102.17 -62.87 148.09 99.79 0.07 0.13 99.53 0.25 0.07 0.08 0.01 0.00 0.02 0.04 52 E H H 141.10 2.90 12.70 17.37 91.77 -110.39 -57.47 -38.03 6.21 0.01 93.78 0.49 0.59 4.91 88.67 5.32 0.01 0.00 0.00 53 N H H 111.28 1.84 16.24 18.12 91.85 54.50 -65.01 -37.65 5.89 0.01 94.11 0.27 0.32 5.17 88.10 6.12 0.01 0.00 0.00 54 L H H 43.39 11.91 14.36 27.24 92.78 48.50 -67.64 -39.67 3.09 0.01 96.90 0.32 0.21 2.31 91.02 6.11 0.00 0.00 0.00 55 Y H H 69.03 11.79 15.57 28.19 91.72 52.28 -62.48 -42.97 0.61 0.00 99.39 0.12 0.06 0.33 99.14 0.36 0.00 0.00 0.00 56 N H H 85.71 3.13 21.25 23.96 91.61 49.84 -64.41 -41.21 0.39 0.00 99.61 0.04 0.02 0.25 99.57 0.12 0.00 0.00 0.00 57 D H H 50.64 8.63 19.70 29.37 91.50 50.39 -64.91 -41.22 0.21 0.00 99.79 0.02 0.01 0.13 99.76 0.08 0.00 0.00 0.00 58 R H H 45.98 16.38 18.39 34.58 91.65 50.99 -64.04 -41.54 0.16 0.00 99.84 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 59 V H H 57.45 8.32 22.09 30.83 91.63 50.68 -64.13 -41.80 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 60 F H H 82.31 6.13 22.86 29.53 91.58 50.58 -63.84 -42.81 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 61 R H H 48.21 15.97 20.39 36.00 91.87 50.57 -64.11 -42.45 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 62 I H H 41.86 14.76 20.90 35.50 91.60 49.91 -64.30 -41.92 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 63 K H H 105.23 4.78 24.57 29.40 91.60 50.11 -64.16 -41.71 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 64 R H H 73.34 10.69 22.30 33.24 91.81 49.60 -64.78 -41.81 0.33 0.00 99.67 0.02 0.01 0.23 99.68 0.06 0.00 0.00 0.00 65 A H H 10.73 18.79 17.88 37.00 91.73 51.03 -63.83 -42.01 0.76 0.00 99.24 0.07 0.04 0.51 99.19 0.19 0.00 0.00 0.00 66 L H H 67.36 7.52 22.04 29.95 91.49 50.55 -64.46 -41.06 2.56 0.00 97.44 0.22 0.15 1.94 97.16 0.52 0.00 0.00 0.00 67 D H H 67.31 4.02 21.63 25.72 91.68 50.68 -65.35 -39.61 6.21 0.02 93.77 0.92 0.53 4.42 93.04 1.05 0.01 0.01 0.01 68 L H H 21.88 13.78 14.42 29.67 91.96 52.73 -64.71 -40.41 7.82 0.11 92.07 2.74 1.17 4.21 88.47 3.28 0.02 0.05 0.05 69 S H H 44.11 10.79 14.79 26.32 92.36 52.90 -65.22 -39.00 10.66 0.09 89.26 2.14 1.07 7.19 84.97 4.51 0.03 0.05 0.04 70 M H H 126.51 2.79 15.89 19.02 92.12 51.12 -68.80 -31.62 19.67 0.11 80.22 1.89 1.95 15.77 76.36 3.84 0.07 0.05 0.07 71 R C T 142.99 2.65 14.94 18.03 95.59 44.80 -90.44 -1.41 57.22 0.22 42.56 3.96 6.74 45.47 40.56 2.97 0.04 0.08 0.18 72 Q C T 124.60 5.64 12.83 20.42 94.81 -122.13 58.80 37.79 92.50 0.24 7.26 19.46 9.46 63.72 5.73 1.39 0.00 0.10 0.15 73 Q C C 95.35 5.40 15.67 22.70 122.01 141.23 -110.52 142.99 96.84 1.41 1.75 81.73 11.78 3.35 0.71 0.90 0.00 0.66 0.88 74 I C C 92.66 9.26 16.44 26.59 114.03 -127.46 -90.48 131.61 95.77 3.64 0.59 88.20 6.33 0.84 0.29 0.26 0.00 1.26 2.84 75 L C C 23.48 19.90 9.94 29.34 115.81 -124.21 -80.34 136.80 99.19 0.79 0.02 91.44 7.84 0.05 0.01 0.01 0.00 0.32 0.33 76 P C C 62.36 4.06 18.20 22.86 113.97 -105.54 -64.31 148.09 99.70 0.25 0.05 99.39 0.36 0.05 0.01 0.01 0.00 0.08 0.09 77 K H G 133.62 6.83 11.69 20.32 91.02 -114.94 -57.72 -35.60 8.42 0.04 91.54 0.81 0.83 6.03 3.49 88.81 0.00 0.03 0.00 78 E H G 151.25 1.20 15.53 16.36 90.61 61.91 -68.95 -18.65 8.17 0.03 91.80 0.42 0.59 6.60 3.41 88.95 0.00 0.02 0.00 79 Q H G 71.90 10.38 12.88 24.36 96.11 54.24 -94.25 -4.24 8.61 0.08 91.31 1.12 1.07 5.67 3.67 88.40 0.00 0.06 0.01 80 W C C 66.51 16.47 11.42 27.60 116.59 98.26 -84.43 137.21 85.55 3.84 10.61 63.62 18.16 3.08 6.96 3.45 0.00 1.14 3.59 81 T C C 45.05 11.07 14.85 27.09 119.99 -154.77 -102.67 144.72 90.10 4.67 5.23 79.14 7.76 2.93 3.66 1.65 0.00 2.35 2.51 82 K C C 112.72 5.31 18.74 24.62 114.07 -120.57 -82.25 144.15 82.53 5.88 11.59 64.41 12.39 5.17 7.84 4.07 0.00 3.34 2.77 83 Y C C 92.01 13.88 12.46 26.09 96.93 -113.77 -65.39 -32.19 59.51 2.58 37.90 35.78 10.41 12.86 16.66 21.75 0.01 1.41 1.12 84 E C C 113.15 4.76 14.72 20.63 94.56 65.01 -72.51 -21.24 53.65 1.64 44.71 28.48 10.25 14.42 18.18 27.02 0.01 0.83 0.79 85 E C G 106.33 5.18 14.44 20.85 96.19 63.12 -75.32 -22.55 53.27 1.34 45.39 24.79 11.54 16.44 18.78 27.07 0.02 0.63 0.73 86 D C C 57.10 11.74 11.77 23.99 101.76 60.50 -88.57 20.70 67.01 0.92 32.06 41.05 11.70 13.76 15.93 16.51 0.00 0.40 0.65 87 K C C 101.63 8.99 13.87 23.69 101.72 125.51 -82.90 -1.35 61.05 0.84 38.11 36.84 11.80 11.74 20.24 18.46 0.00 0.35 0.56 88 S H G 70.14 4.22 16.26 21.22 94.55 65.65 -69.94 -21.25 43.88 0.62 55.49 19.15 6.63 17.24 16.23 40.10 0.01 0.33 0.31 89 Y H G 92.68 9.47 15.93 26.25 94.94 67.86 -72.78 -28.02 42.54 0.56 56.90 9.26 6.48 25.59 16.31 41.72 0.03 0.28 0.33 90 L H G 25.07 18.92 12.78 31.43 95.87 52.26 -85.87 -18.48 32.99 0.35 66.66 8.54 4.68 18.55 32.46 35.35 0.03 0.17 0.21 91 E H H 86.55 7.85 16.78 25.94 92.53 79.04 -60.15 -43.70 3.98 0.01 96.01 1.31 0.63 1.77 94.98 1.31 0.00 0.00 0.00 92 P H H 68.58 3.04 19.82 22.67 91.44 49.91 -64.21 -38.99 2.39 0.01 97.60 0.45 0.19 1.55 96.48 1.32 0.00 0.00 0.00 93 Y H H 56.89 12.71 17.36 30.74 92.05 50.79 -65.47 -41.39 0.84 0.00 99.15 0.15 0.06 0.53 98.27 0.99 0.00 0.00 0.00 94 L H H 36.69 14.78 16.60 31.84 92.04 51.20 -64.02 -41.65 0.25 0.00 99.75 0.06 0.02 0.12 99.67 0.13 0.00 0.00 0.00 95 K H H 116.93 2.80 21.33 23.80 91.49 50.38 -64.08 -40.79 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 96 E H H 82.16 4.71 20.15 25.36 91.75 50.27 -64.61 -41.42 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 97 V H H 22.28 14.13 16.73 32.13 92.14 49.71 -64.27 -43.12 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 98 I H H 58.22 7.44 18.65 27.34 91.54 49.65 -63.35 -42.29 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 99 R H H 124.48 2.25 20.34 21.66 91.67 49.81 -64.01 -42.06 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 100 E H H 71.65 6.49 17.39 25.15 91.99 49.98 -65.04 -41.07 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 101 R H H 93.34 7.77 16.48 25.23 91.90 50.45 -64.44 -40.79 0.25 0.00 99.75 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 102 K H H 112.98 2.34 18.04 20.07 91.78 50.37 -64.02 -40.77 0.29 0.00 99.71 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 103 E H H 94.76 2.64 16.50 19.38 91.90 50.01 -64.77 -41.16 0.42 0.00 99.58 0.05 0.02 0.25 99.62 0.06 0.00 0.00 0.00 104 R H H 107.46 4.83 14.84 20.67 92.02 50.04 -65.35 -40.97 0.48 0.00 99.51 0.06 0.03 0.28 99.53 0.10 0.00 0.00 0.00 105 E H H 95.28 2.69 14.57 17.89 91.83 50.45 -64.12 -41.02 0.75 0.00 99.25 0.09 0.04 0.47 99.19 0.22 0.00 0.00 0.00 106 E H H 106.08 1.63 14.01 15.46 91.91 50.49 -64.60 -40.78 2.29 0.00 97.70 0.24 0.13 1.63 97.31 0.68 0.00 0.00 0.00 107 W H H 137.05 2.96 11.35 15.63 92.56 50.31 -67.53 -37.40 5.90 0.01 94.10 0.56 0.38 4.46 93.07 1.51 0.00 0.00 0.00 108 A H H 73.45 2.78 9.98 14.05 92.67 53.76 -70.30 -27.52 21.73 0.04 78.23 2.00 1.59 17.48 77.60 1.29 0.01 0.01 0.03 109 K C H 155.32 1.17 10.16 11.71 95.82 56.56 -80.11 -11.34 58.51 0.14 41.35 18.59 1.70 35.78 42.38 1.41 0.00 0.04 0.10 110 K C C 147.31 2.55 10.86 15.01 103.03 101.86 -76.54 55.16 99.93 0.02 0.05 99.67 0.14 0.13 0.04 0.00 0.00 0.01 0.00