# 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 112.04 6.52 13.66 21.18 119.50 -168.76 -100.87 135.99 99.45 0.51 0.04 99.38 0.19 0.06 0.02 0.01 0.00 0.29 0.08 1 A C C 65.70 7.31 9.56 18.07 115.69 -128.24 -85.53 139.95 87.29 9.33 3.38 83.98 1.33 2.59 1.66 1.13 0.00 6.14 3.16 2 K C C 141.94 3.31 10.77 15.86 116.24 -146.72 -97.56 136.69 81.31 13.10 5.59 63.06 11.52 5.94 2.67 3.02 0.00 8.62 5.15 3 S C C 63.31 6.79 9.38 17.52 115.39 -128.83 -86.17 145.43 83.70 8.77 7.53 67.86 9.62 5.70 3.44 4.11 0.00 5.56 3.71 4 K C T 146.53 3.44 12.84 17.50 98.34 -133.06 -75.98 -17.11 80.46 3.09 16.45 29.18 21.27 31.28 7.21 8.02 0.02 1.68 1.33 5 N C T 86.51 6.91 11.91 19.98 104.12 58.79 -95.86 28.84 80.92 2.80 16.27 28.11 22.29 31.78 7.38 7.65 0.03 1.40 1.37 6 H C C 98.83 8.26 11.77 21.10 107.93 115.99 -91.61 88.10 75.61 5.95 18.45 50.46 14.54 10.01 11.46 7.04 0.02 2.75 3.72 7 T C C 66.72 7.30 12.78 21.33 117.41 147.61 -96.87 142.57 70.55 3.97 25.48 44.73 12.80 13.04 17.66 7.73 0.02 2.04 1.98 8 N C C 95.65 5.85 13.97 20.75 100.93 -125.31 -82.18 -2.53 63.05 3.08 33.88 30.90 16.39 16.95 22.86 9.84 0.07 1.48 1.51 9 H C H 100.26 7.51 13.14 21.63 102.57 89.07 -81.28 -11.18 57.67 3.00 39.33 26.54 14.90 17.77 26.56 11.13 0.12 1.43 1.54 10 N C C 76.97 8.20 12.76 21.92 103.08 64.14 -88.59 18.12 60.57 2.72 36.72 34.40 11.62 15.46 25.95 9.77 0.05 1.30 1.44 11 Q C C 98.01 6.66 13.09 20.83 102.01 89.24 -84.21 -0.19 59.59 2.77 37.63 31.21 13.77 15.93 27.62 8.71 0.07 1.30 1.39 12 N C C 84.75 6.04 12.85 20.03 105.20 76.19 -88.41 36.40 63.39 3.04 33.57 34.15 14.14 16.02 24.53 8.14 0.06 1.42 1.54 13 Y C H 127.70 6.54 11.87 19.56 102.71 80.67 -80.18 -0.30 54.89 2.89 42.21 28.39 13.80 14.22 30.09 10.64 0.09 1.38 1.39 14 K C H 122.69 4.43 13.04 18.55 102.12 69.47 -79.95 -1.32 49.98 3.15 46.87 23.98 11.19 16.02 30.55 15.11 0.11 1.67 1.37 15 D C H 86.03 5.54 11.99 18.71 99.42 60.34 -76.26 -13.91 51.75 3.47 44.78 24.80 10.31 17.44 26.95 17.02 0.09 1.93 1.46 16 H C C 101.68 7.14 10.24 18.52 103.65 60.64 -91.58 13.71 58.51 4.83 36.65 28.81 11.50 19.19 22.19 13.45 0.11 2.59 2.15 17 R C C 152.82 3.42 11.78 16.48 102.58 89.28 -84.59 -7.58 68.52 5.33 26.14 31.75 20.11 17.77 16.92 8.06 0.12 2.40 2.87 18 H C C 106.08 4.89 10.05 16.55 114.10 76.10 -104.10 122.20 83.72 2.62 13.66 40.21 25.50 18.91 6.98 5.74 0.01 1.17 1.48 19 P C C 84.49 4.37 10.47 16.51 103.05 -129.40 -69.96 46.14 85.75 2.02 12.23 43.74 16.01 26.84 5.08 6.29 0.00 1.08 0.95 20 I C C 111.99 4.16 9.33 14.95 99.71 66.23 -79.67 -11.91 82.92 4.77 12.32 54.10 12.76 16.25 6.06 5.83 0.00 2.82 2.17 21 R C C 159.14 2.67 10.06 14.06 102.28 60.70 -83.18 9.88 89.10 3.61 7.30 74.29 8.53 6.32 4.40 2.69 0.00 2.47 1.31 22 L C C 102.85 4.27 8.53 14.50 111.52 79.77 -90.10 122.25 90.62 2.67 6.71 78.87 6.61 5.11 4.45 2.22 0.00 1.81 0.94 23 K C C 148.69 2.42 10.24 14.11 110.08 -119.20 -76.84 129.51 90.63 2.39 6.98 76.31 6.61 7.69 4.83 2.10 0.00 1.55 0.91 24 G C C 48.90 3.61 10.62 15.63 113.81 22.69 98.90 163.32 92.78 1.35 5.87 78.66 7.12 7.04 4.05 1.76 0.00 0.83 0.55 25 R C C 156.78 3.45 10.53 15.41 106.80 -90.73 -84.27 80.14 87.05 2.56 10.39 73.48 6.68 6.73 7.70 2.84 0.00 1.52 1.05 26 R C C 143.52 4.96 11.23 17.53 107.96 69.75 -85.08 116.15 78.30 3.63 18.07 60.45 8.29 9.22 13.58 4.79 0.01 2.20 1.47 27 N C C 89.10 6.86 12.49 20.39 105.93 -103.26 -86.06 86.76 73.04 3.80 23.16 52.59 10.00 10.10 17.62 5.90 0.01 2.25 1.53 28 Q C C 88.94 8.08 13.16 22.16 104.52 109.67 -82.81 31.27 62.22 3.96 33.83 44.27 10.38 7.92 26.03 7.62 0.02 2.26 1.49 29 I C H 89.17 7.63 14.51 23.04 96.27 71.13 -71.18 -28.32 50.90 4.49 44.61 32.32 9.29 10.33 32.61 11.12 0.06 2.73 1.55 30 S C H 54.07 8.25 14.18 23.30 96.43 56.71 -75.47 -20.38 50.41 4.20 45.39 29.18 9.53 12.68 31.15 13.33 0.08 2.45 1.58 31 S C H 55.40 9.05 14.15 23.86 97.70 58.84 -77.94 -19.91 51.22 3.52 45.26 27.19 10.26 14.57 28.95 15.55 0.08 1.91 1.50 32 K C T 118.64 6.30 16.12 22.97 98.73 63.22 -78.95 -16.62 58.69 2.61 38.70 15.85 12.45 30.19 23.63 14.88 0.19 1.44 1.37 33 G C T 30.23 10.35 15.39 26.06 105.63 34.74 -20.16 -3.76 69.74 3.07 27.19 22.27 14.82 33.41 14.38 11.89 0.08 1.62 1.53 34 L C C 74.16 11.24 13.68 25.18 102.78 58.96 -90.02 22.27 76.81 7.09 16.10 48.85 17.78 9.82 9.79 6.05 0.03 2.95 4.73 35 E C C 83.53 6.37 14.13 21.96 116.92 113.85 -83.40 140.11 92.63 2.92 4.46 75.63 15.35 0.92 4.52 0.50 0.00 0.85 2.23 36 Q H H 116.98 4.04 14.37 19.83 92.83 -124.76 -60.50 -37.60 5.40 0.04 94.56 1.19 0.79 3.54 93.20 1.22 0.01 0.02 0.02 37 K H H 127.86 2.45 16.43 19.00 92.45 52.79 -65.59 -39.21 4.27 0.04 95.69 0.76 0.45 3.12 94.13 1.49 0.01 0.02 0.02 38 L H H 45.05 9.04 13.98 24.74 92.64 49.09 -66.50 -41.06 2.16 0.04 97.81 0.74 0.27 1.18 96.38 1.40 0.00 0.02 0.01 39 K H H 72.94 8.36 15.34 25.00 92.21 51.30 -64.39 -41.83 1.59 0.05 98.36 0.74 0.19 0.67 97.79 0.56 0.00 0.03 0.02 40 K H H 104.37 3.54 18.14 22.08 92.08 50.23 -64.53 -41.25 2.14 0.05 97.81 0.82 0.23 1.02 97.46 0.42 0.00 0.03 0.02 41 N H H 69.20 5.24 17.37 23.43 92.34 50.16 -65.87 -40.31 2.99 0.06 96.95 1.09 0.31 1.50 96.57 0.47 0.00 0.03 0.02 42 R H H 95.24 8.07 16.43 25.29 92.47 51.54 -65.21 -40.64 2.95 0.05 97.00 0.97 0.34 1.61 96.14 0.89 0.00 0.03 0.02 43 K H H 94.04 5.74 16.56 23.31 92.44 51.20 -64.75 -40.52 4.74 0.10 95.17 1.23 0.50 2.98 93.75 1.44 0.01 0.06 0.04 44 K H H 108.33 3.71 16.32 20.67 92.85 50.95 -67.20 -36.28 9.44 0.14 90.43 2.01 1.10 6.43 88.18 2.12 0.03 0.07 0.06 45 S H H 55.16 5.93 13.83 21.02 93.41 55.24 -69.59 -26.56 24.76 0.31 74.93 4.50 3.02 17.71 71.64 2.73 0.07 0.14 0.17 46 R H H 130.58 5.87 13.37 20.34 96.99 55.18 -84.37 -5.68 46.39 0.82 52.79 11.03 6.89 29.80 46.42 4.88 0.11 0.35 0.52 47 K C T 129.20 4.60 12.46 18.57 101.88 94.84 -72.92 20.09 60.85 0.98 38.17 10.72 9.02 40.09 27.09 11.77 0.10 0.45 0.75 48 G C T 53.79 3.38 13.36 17.95 99.39 -18.35 71.43 3.36 74.25 0.63 25.12 12.90 9.95 51.23 13.32 11.84 0.02 0.31 0.45 49 F C C 136.86 3.85 13.40 18.42 101.67 89.84 -92.89 6.73 79.22 2.93 17.86 36.30 16.65 27.27 6.99 9.85 0.02 1.44 1.46 50 L C C 59.30 11.91 8.37 20.72 120.31 98.21 -92.93 143.81 89.34 8.09 2.58 56.51 30.01 2.41 1.58 0.90 0.00 2.08 6.51 51 T C C 69.92 3.12 14.27 18.21 118.16 -114.71 -74.77 154.90 98.95 0.66 0.38 96.65 2.27 0.16 0.30 0.05 0.00 0.28 0.28 52 P H H 98.40 2.87 11.77 16.28 91.76 -111.18 -58.00 -38.13 6.91 0.04 93.05 2.58 1.04 3.27 91.92 1.16 0.00 0.02 0.02 53 D H H 103.52 1.25 14.97 15.40 92.49 52.16 -65.28 -38.71 4.23 0.04 95.74 1.19 0.52 2.49 94.41 1.36 0.01 0.02 0.01 54 V H H 55.10 6.58 13.40 21.58 92.50 48.57 -66.70 -40.19 1.92 0.04 98.04 0.83 0.28 0.90 96.85 1.10 0.00 0.03 0.01 55 Q H H 60.43 8.86 12.92 23.25 91.95 52.13 -63.67 -41.50 1.18 0.03 98.79 0.56 0.17 0.48 98.38 0.39 0.00 0.01 0.00 56 K H H 111.47 1.98 17.47 18.77 91.83 50.38 -64.68 -40.93 1.30 0.03 98.67 0.64 0.15 0.53 98.46 0.19 0.00 0.02 0.01 57 E H H 97.05 2.90 17.38 20.30 92.00 49.96 -65.23 -40.86 0.93 0.03 99.04 0.34 0.10 0.45 98.94 0.14 0.00 0.02 0.00 58 I H H 48.39 10.08 13.97 25.19 92.16 50.39 -64.79 -41.71 0.86 0.02 99.12 0.27 0.08 0.44 99.04 0.14 0.00 0.01 0.00 59 R H H 116.25 4.94 16.39 22.18 91.77 50.90 -64.65 -40.45 1.19 0.02 98.79 0.34 0.11 0.67 98.66 0.21 0.00 0.01 0.00 60 E H H 112.25 1.84 16.98 18.11 92.11 50.04 -65.96 -40.40 2.82 0.03 97.15 0.71 0.26 1.74 96.92 0.34 0.00 0.02 0.01 61 K H H 96.03 4.91 14.99 20.74 92.89 49.69 -67.26 -39.26 7.56 0.09 92.35 2.49 0.90 4.25 91.59 0.68 0.01 0.04 0.04 62 R H H 105.40 7.44 13.10 21.44 93.14 52.07 -66.65 -37.91 14.71 0.28 85.01 6.31 2.16 6.73 83.28 1.23 0.03 0.13 0.13 63 S H H 69.19 2.71 13.96 17.38 94.14 53.58 -67.95 -33.22 28.11 0.52 71.37 13.12 3.89 11.32 69.55 1.62 0.02 0.23 0.24 64 K H H 135.85 2.30 13.00 15.95 95.84 54.79 -74.23 -25.02 43.53 0.83 55.64 22.00 6.42 15.53 53.01 2.28 0.02 0.36 0.38 65 K C H 121.28 5.40 11.04 17.49 99.52 60.80 -80.39 -7.86 53.88 0.82 45.30 24.45 8.35 20.66 43.11 2.66 0.02 0.35 0.39 66 G C H 49.05 3.68 12.72 17.60 102.55 -96.48 52.93 -0.18 62.90 0.87 36.23 30.56 10.88 21.19 33.15 3.42 0.01 0.39 0.41 67 E C C 120.24 3.82 12.71 17.87 110.12 91.37 -86.33 126.20 61.30 1.48 37.21 41.95 9.41 9.35 33.76 4.19 0.01 0.73 0.60 68 A C C 60.79 7.82 10.52 19.43 110.68 -113.86 -77.81 132.68 63.78 2.31 33.91 47.56 7.08 8.30 30.49 4.45 0.00 1.30 0.83 69 R C C 142.12 5.33 12.55 19.07 113.47 -144.67 -94.85 128.11 65.91 3.91 30.19 49.15 8.43 7.44 27.04 4.30 0.01 2.37 1.26 70 R C C 146.74 4.89 12.56 18.84 113.33 -133.95 -86.35 132.05 69.06 4.80 26.13 53.90 7.05 6.90 24.00 3.62 0.01 3.04 1.48 71 L C C 87.97 8.19 10.69 19.91 113.41 -137.42 -88.51 133.93 72.53 3.76 23.71 58.94 6.50 5.67 22.71 2.75 0.00 2.30 1.14 72 K C C 126.39 4.33 13.43 18.99 105.50 -150.80 -91.24 -1.79 72.76 3.13 24.11 58.08 7.52 5.29 24.23 2.12 0.00 1.90 0.85 73 S C C 53.80 5.30 14.36 20.58 114.92 -2.73 -83.82 144.14 66.38 3.43 30.19 54.54 5.83 4.94 29.48 2.23 0.00 1.98 1.00 74 Y H H 109.95 9.85 11.63 21.96 94.36 -121.28 -65.39 -35.84 22.21 0.80 76.99 17.16 3.05 3.46 73.39 2.29 0.00 0.44 0.20 75 E H H 118.61 2.35 14.79 17.54 92.90 56.51 -65.07 -39.66 8.04 0.45 91.50 4.81 1.29 2.63 87.70 3.14 0.01 0.34 0.08 76 K H H 108.34 3.15 15.23 18.93 92.91 50.88 -66.52 -39.28 5.78 0.46 93.76 2.96 0.96 2.44 88.93 4.22 0.02 0.39 0.08 77 F H H 61.36 11.54 11.76 24.03 93.09 51.49 -66.67 -39.81 4.96 0.33 94.71 2.26 0.78 2.30 89.89 4.42 0.01 0.27 0.06 78 K H H 105.77 7.44 13.94 22.19 92.29 53.94 -65.11 -36.25 6.10 0.21 93.69 1.90 0.78 3.49 88.38 5.23 0.02 0.15 0.05 79 A H H 77.12 2.01 15.58 17.54 92.82 55.02 -70.58 -25.48 23.88 0.16 75.97 1.99 1.72 19.97 70.96 5.13 0.06 0.08 0.08 80 K H H 114.21 5.67 14.27 20.87 98.80 49.01 -91.52 -5.22 49.36 0.25 50.38 4.36 3.99 39.80 46.79 4.74 0.05 0.11 0.17 81 L C H 60.82 12.37 10.12 22.78 105.67 98.58 -76.88 74.62 51.95 0.92 47.12 35.58 12.91 4.37 42.03 4.33 0.01 0.37 0.42 82 P H H 82.68 4.02 14.74 19.74 99.60 123.32 -66.30 -31.97 34.91 1.28 63.82 26.77 3.26 5.52 52.65 10.63 0.00 0.86 0.29 83 I H H 96.16 5.37 14.53 20.69 97.02 55.80 -70.31 -35.34 22.19 3.50 74.31 13.44 3.72 6.10 58.26 14.97 0.06 2.89 0.57 84 W H H 105.33 9.92 12.62 23.14 97.31 57.45 -73.96 -32.22 20.37 4.21 75.42 12.51 3.44 5.54 60.38 13.87 0.05 3.56 0.65 85 K H H 111.15 7.00 14.18 21.91 99.64 60.84 -77.41 -20.36 28.19 4.67 67.15 18.06 5.00 7.11 56.89 8.38 0.05 3.52 0.98 86 A H H 65.56 4.85 13.04 19.01 102.96 64.60 -78.05 -12.60 37.22 2.69 60.09 22.24 6.85 9.73 53.53 5.15 0.04 1.73 0.73 87 K H H 127.23 4.67 13.25 18.89 102.98 57.21 -81.39 2.60 46.86 2.27 50.86 26.40 7.59 13.37 46.24 4.31 0.04 1.38 0.68 88 H C H 105.51 7.54 11.79 20.24 107.11 85.82 -86.02 71.42 55.07 2.90 42.03 34.28 9.07 11.30 38.92 3.82 0.02 1.78 0.82 89 K C H 123.00 4.73 13.43 19.23 107.37 113.36 -86.10 75.24 53.90 4.16 41.94 38.21 8.46 6.65 39.83 3.08 0.01 2.72 1.02 90 A C H 64.65 4.89 12.96 18.91 99.08 51.86 -69.08 -36.17 49.64 3.66 46.70 36.16 7.32 5.84 44.30 3.08 0.01 2.56 0.73 91 A C H 61.06 4.94 13.58 19.69 97.74 55.84 -71.59 -34.65 49.52 4.11 46.38 37.26 6.43 5.52 43.82 3.19 0.01 3.02 0.73 92 V H H 72.98 6.97 12.05 20.25 97.31 55.09 -71.24 -36.68 47.19 4.41 48.40 37.05 5.62 4.53 45.82 3.03 0.01 3.15 0.79 93 K H H 117.50 4.31 13.80 19.11 97.21 53.97 -72.21 -34.92 46.93 4.39 48.68 37.77 4.67 4.62 46.01 3.00 0.01 3.07 0.85 94 A H H 62.76 4.44 12.17 17.86 97.17 55.59 -69.18 -36.40 47.68 3.18 49.14 36.73 5.79 5.29 45.74 3.63 0.01 2.15 0.66 95 E H H 115.75 4.02 12.58 17.76 96.63 55.24 -73.67 -31.49 47.77 3.68 48.54 35.60 5.95 6.54 44.35 4.22 0.02 2.45 0.88 96 K C H 120.54 5.29 11.20 17.76 99.15 58.78 -77.11 -22.83 51.16 3.04 45.79 36.92 7.02 7.53 40.99 4.78 0.02 1.86 0.89 97 E C C 121.47 4.24 11.39 16.98 102.10 67.79 -80.95 -4.48 59.78 2.77 37.46 42.67 6.83 9.72 33.30 4.87 0.01 1.62 0.98 98 Q C C 126.68 3.06 11.73 16.10 105.86 75.99 -80.73 83.74 72.59 2.08 25.33 36.60 10.60 24.99 21.55 4.27 0.02 1.10 0.88 99 G C C 49.92 4.30 11.99 17.76 108.78 10.92 84.83 20.34 87.19 2.02 10.79 39.39 18.66 29.51 7.60 2.96 0.00 1.03 0.85 100 V C C 84.17 5.99 10.61 18.24 117.24 114.56 -97.15 133.34 95.34 3.42 1.23 67.23 26.98 1.42 0.90 0.37 0.00 1.71 1.38 101 P C C 82.24 5.36 12.02 19.00 112.97 -107.24 -67.62 146.85 94.28 3.70 2.03 84.05 8.25 1.76 1.57 0.55 0.00 1.84 1.98 102 D C C 82.11 6.24 11.02 18.90 109.21 -110.71 -81.43 120.55 95.86 0.79 3.35 90.12 4.67 1.02 2.94 0.44 0.00 0.30 0.50 103 P C H 84.67 5.67 10.79 18.18 94.96 -145.45 -64.20 -24.92 54.45 0.81 44.74 31.94 5.69 16.87 33.08 11.58 0.00 0.44 0.39 104 K H H 141.05 2.07 13.07 15.78 97.02 61.16 -75.82 -22.95 45.89 1.28 52.82 23.61 6.65 16.25 40.36 11.84 0.03 0.72 0.54 105 K H H 111.26 4.17 12.57 17.95 98.69 56.89 -73.28 -25.66 36.34 1.45 62.22 24.54 6.37 6.65 49.99 11.15 0.01 0.78 0.50 106 A H H 50.85 5.68 11.81 19.20 96.54 60.70 -66.95 -38.26 32.61 1.12 66.27 25.11 4.29 4.49 61.02 4.16 0.00 0.61 0.31 107 S H H 60.08 3.48 13.29 17.89 95.06 55.24 -68.85 -37.89 26.87 1.38 71.75 20.41 3.65 4.40 66.92 3.45 0.01 0.84 0.32 108 K H H 121.01 2.76 13.68 17.16 93.83 54.08 -67.93 -38.31 19.71 1.25 79.04 14.53 3.04 3.84 74.40 3.11 0.01 0.83 0.24 109 Q H H 100.01 3.79 12.94 17.95 93.40 53.26 -67.74 -38.13 17.95 1.19 80.86 13.39 2.59 3.56 76.63 2.81 0.01 0.81 0.22 110 K H H 117.83 3.17 13.34 17.49 93.45 52.80 -67.05 -39.05 18.87 1.20 79.93 13.59 2.72 4.17 75.70 2.77 0.01 0.80 0.25 111 E H H 109.95 2.42 13.29 16.35 93.65 51.95 -67.06 -38.76 18.64 1.04 80.32 12.55 2.77 4.71 76.23 2.82 0.01 0.68 0.24 112 A H H 60.87 2.96 11.97 16.15 93.79 52.71 -67.07 -36.74 21.26 1.00 77.75 12.91 3.36 6.25 73.44 3.14 0.02 0.62 0.27 113 A H H 66.79 3.31 10.57 15.25 95.13 55.78 -72.56 -28.60 29.15 1.17 69.68 15.88 4.78 9.68 65.27 3.32 0.03 0.66 0.38 114 V H H 105.03 2.46 9.18 12.97 99.29 59.61 -82.00 -13.30 42.80 1.65 55.56 21.54 7.48 15.02 51.30 3.14 0.04 0.82 0.66 115 K C C 150.50 1.78 8.78 11.90 105.24 78.53 -84.06 67.77 65.62 1.26 33.12 44.31 2.37 17.47 32.57 2.09 0.00 0.61 0.58 116 K C C 149.24 2.45 10.53 14.57 108.11 64.55 -82.96 111.73 99.73 0.08 0.18 99.33 0.19 0.27 0.13 0.01 0.00 0.04 0.02