# 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 98.56 9.56 14.14 24.27 114.41 -164.01 -94.72 129.60 99.71 0.26 0.03 99.56 0.18 0.07 0.01 0.00 0.00 0.14 0.04 1 G C C 42.72 6.71 12.13 20.04 119.23 -156.68 -97.85 165.56 92.65 5.01 2.34 84.85 2.09 5.92 1.08 0.97 0.00 3.10 1.98 2 G C C 50.01 4.35 11.50 17.36 111.07 -84.29 -87.89 -32.72 86.22 7.61 6.17 49.68 20.37 16.58 2.21 3.78 0.01 4.32 3.04 3 D C C 104.20 3.41 11.25 16.17 108.51 -36.40 -86.16 93.15 79.56 8.41 12.04 53.33 15.02 11.29 4.99 7.06 0.02 4.94 3.36 4 A C C 71.30 6.01 10.38 17.82 102.10 -135.96 -79.93 3.02 71.34 7.26 21.41 38.43 15.19 18.71 7.84 12.94 0.04 4.55 2.31 5 H C C 127.92 4.54 11.56 17.65 106.30 74.16 -88.68 59.30 71.60 8.05 20.34 38.15 15.42 19.02 8.22 11.42 0.04 5.13 2.60 6 A C C 68.24 5.56 11.11 18.29 111.11 92.11 -89.12 126.04 73.69 7.99 18.32 47.53 17.23 9.19 9.05 9.13 0.03 4.62 3.22 7 A C C 61.57 6.33 10.85 18.80 116.84 -117.35 -84.29 142.06 86.07 4.74 9.20 59.20 23.51 3.66 6.06 3.06 0.00 2.50 2.01 8 P C C 82.89 5.58 11.37 18.59 111.28 -103.83 -67.55 147.52 81.01 4.27 14.71 66.86 6.59 7.70 7.08 7.38 0.00 2.63 1.76 9 A C C 75.97 4.76 10.03 16.60 106.59 -113.80 -76.30 124.24 77.85 5.00 17.15 44.48 17.99 15.96 5.69 11.05 0.01 2.66 2.16 10 E C C 138.56 2.78 11.34 15.62 109.04 -113.88 -87.25 108.98 78.51 6.63 14.86 38.15 25.90 15.52 4.57 9.52 0.03 3.64 2.67 11 K C C 140.40 3.44 12.42 17.61 113.84 -103.64 -94.37 125.12 93.08 3.68 3.24 52.86 38.11 2.61 1.42 1.57 0.00 1.90 1.53 12 P C C 63.57 10.76 9.58 21.14 114.36 -113.56 -67.49 148.91 94.40 2.96 2.64 82.89 9.13 2.27 1.58 0.93 0.00 1.38 1.82 13 D C C 81.92 4.86 14.59 20.72 109.74 -110.22 -80.89 121.78 97.40 0.63 1.98 92.44 4.21 0.77 1.67 0.27 0.00 0.22 0.42 14 P H H 79.46 7.59 13.15 22.27 93.62 -140.04 -61.17 -31.76 29.10 0.28 70.62 7.06 3.37 18.15 59.10 11.97 0.04 0.15 0.15 15 A H H 57.79 6.96 14.78 22.74 93.84 55.99 -67.60 -36.40 22.98 0.34 76.68 4.87 2.74 14.81 63.84 13.31 0.07 0.21 0.15 16 L H H 77.13 5.73 16.15 23.00 95.89 52.29 -70.37 -36.80 16.44 0.82 82.75 7.27 3.10 6.83 65.94 16.04 0.05 0.54 0.23 17 D H H 64.36 7.30 18.06 26.11 96.93 55.58 -69.37 -37.10 17.56 0.81 81.63 10.91 2.91 5.43 73.84 6.11 0.02 0.51 0.26 18 A H H 30.28 14.22 15.22 29.65 93.89 54.78 -66.19 -37.89 11.34 0.46 88.21 5.54 1.92 4.74 81.21 6.13 0.02 0.32 0.12 19 T H H 68.49 6.97 19.02 26.55 92.85 53.69 -66.67 -38.33 11.50 0.50 88.01 3.72 1.71 6.24 81.21 6.57 0.04 0.38 0.13 20 K H H 121.26 3.21 21.48 24.38 93.03 50.91 -68.71 -36.88 19.39 0.51 80.09 3.68 2.53 13.05 73.68 6.42 0.09 0.35 0.19 21 A H H 25.68 12.68 17.30 30.76 94.42 51.13 -70.14 -34.93 21.14 0.44 78.42 4.38 2.91 14.29 74.25 3.69 0.05 0.24 0.19 22 L H H 42.38 15.53 16.83 32.23 92.80 58.50 -62.18 -43.23 7.80 0.11 92.10 4.49 1.30 2.47 89.39 2.26 0.00 0.06 0.03 23 P H H 68.81 4.33 21.66 26.02 91.85 50.87 -63.61 -39.98 4.05 0.12 95.84 1.79 0.52 1.91 93.23 2.44 0.01 0.09 0.02 24 K H H 104.61 4.47 22.08 26.62 92.19 49.95 -65.92 -40.15 2.21 0.12 97.66 0.88 0.34 1.13 94.93 2.60 0.00 0.11 0.02 25 A H H 16.72 16.30 16.94 33.77 92.60 51.27 -64.86 -41.16 2.23 0.16 97.61 0.94 0.36 1.10 95.83 1.59 0.01 0.14 0.02 26 L H H 63.43 10.79 19.58 30.66 92.12 51.04 -65.01 -39.46 4.17 0.25 95.57 1.42 0.57 2.35 93.68 1.69 0.01 0.23 0.04 27 E H H 107.76 3.79 22.19 25.60 92.40 51.56 -66.52 -38.44 9.74 0.32 89.94 1.87 0.97 6.83 88.02 1.94 0.03 0.28 0.08 28 E H H 71.60 10.72 19.55 30.50 93.53 50.63 -69.74 -36.89 20.55 0.49 78.95 3.43 2.02 14.75 77.32 1.91 0.03 0.39 0.15 29 V H H 35.67 14.97 17.67 32.64 94.05 53.55 -67.41 -40.43 21.20 1.19 77.61 12.01 3.23 6.23 75.94 1.44 0.01 0.88 0.25 30 E H H 95.92 6.04 22.14 28.37 92.51 55.25 -64.47 -40.57 10.80 1.27 87.93 5.24 1.43 4.64 84.09 3.19 0.02 1.24 0.14 31 F H H 68.43 11.05 20.74 32.04 92.74 50.92 -65.65 -41.53 8.59 1.87 89.54 3.73 1.15 4.16 85.35 3.45 0.02 1.97 0.16 32 F H H 42.58 16.64 19.41 35.71 92.95 50.29 -65.90 -41.40 5.20 2.21 92.59 2.72 0.75 2.11 89.02 2.83 0.01 2.43 0.13 33 Q H H 76.66 9.94 22.03 31.98 92.21 51.28 -65.20 -39.82 5.67 2.35 91.98 2.54 0.78 2.69 89.27 2.00 0.02 2.58 0.12 34 S H H 43.68 7.82 22.42 30.71 92.61 51.34 -66.55 -39.54 8.48 2.74 88.78 2.80 1.04 4.96 86.18 1.90 0.04 2.91 0.17 35 Y H H 47.83 15.06 20.07 34.98 92.98 51.15 -66.76 -40.57 8.07 3.05 88.87 3.37 1.27 4.07 86.18 1.74 0.05 3.10 0.23 36 A H H 22.63 13.27 19.42 33.33 92.72 53.89 -65.01 -41.42 8.30 3.52 88.19 4.19 1.32 3.37 85.30 1.96 0.04 3.54 0.28 37 V H H 59.77 7.19 21.17 28.96 92.83 50.96 -65.67 -41.01 9.39 4.47 86.14 4.27 1.51 4.18 82.83 2.25 0.07 4.49 0.41 38 R H H 78.87 11.79 18.29 30.32 93.15 51.37 -67.26 -38.43 11.70 4.99 83.31 5.66 1.90 4.92 79.80 2.50 0.08 4.55 0.59 39 R H H 89.34 13.81 16.57 29.90 93.25 53.29 -67.99 -35.59 18.54 2.64 78.81 7.39 2.69 9.54 73.93 3.56 0.11 2.29 0.49 40 K H H 122.64 5.97 18.90 25.63 93.94 52.08 -71.07 -28.85 25.21 1.54 73.24 5.69 3.43 16.59 69.23 3.27 0.14 1.24 0.40 41 T H H 69.32 6.95 18.13 25.81 98.64 40.69 -93.15 -6.70 48.03 1.13 50.84 6.57 7.37 33.43 48.48 2.89 0.16 0.60 0.50 42 G C T 32.02 9.25 18.83 28.73 100.61 -102.65 87.83 7.16 91.49 3.22 5.28 27.12 19.45 45.43 3.56 1.47 0.00 2.42 0.54 43 F C C 46.44 17.19 16.57 33.53 117.73 136.12 -93.58 135.24 69.65 22.36 7.99 52.07 11.71 5.38 5.75 2.60 0.02 19.77 2.69 44 H C C 60.71 14.14 22.18 35.98 120.38 -164.81 -108.50 132.83 50.71 39.36 9.93 41.28 5.36 3.48 7.54 2.95 0.03 34.80 4.54 45 L C E 29.90 18.79 20.06 38.30 114.05 -152.38 -96.76 124.92 44.19 39.62 16.20 29.31 9.21 6.10 12.11 4.76 0.15 34.63 3.73 46 F E E 49.12 15.05 18.95 34.15 118.81 -155.24 -104.98 136.72 36.55 43.74 19.71 19.15 11.44 8.30 14.73 5.35 0.74 34.25 6.03 47 N C C 52.52 11.70 16.72 29.24 110.47 -145.21 -94.43 114.04 46.54 33.60 19.85 31.93 7.99 6.52 15.07 5.46 0.20 25.98 6.85 48 R C T 114.52 10.02 14.72 25.21 100.22 -155.28 -75.22 -25.12 61.17 6.22 32.60 16.93 10.49 33.93 17.96 13.99 0.25 4.65 1.79 49 A C T 75.74 4.74 14.18 19.98 96.84 49.67 -73.53 -25.86 68.77 2.56 28.66 9.10 11.20 47.92 14.64 14.02 0.19 1.63 1.28 50 T C T 86.95 3.79 13.99 18.61 100.68 40.35 -96.20 -2.83 73.86 2.01 24.14 9.41 13.93 50.42 11.98 11.77 0.10 1.18 1.21 51 G C C 45.42 5.81 13.92 21.14 100.34 -108.19 82.11 4.51 95.47 2.97 1.55 36.38 34.04 25.35 0.37 1.15 0.00 1.84 0.89 52 S C C 52.16 7.83 16.01 25.05 119.11 127.15 -94.62 138.94 93.09 6.52 0.39 65.81 26.87 0.99 0.14 0.26 0.00 4.15 1.78 53 P C C 47.91 15.38 15.82 30.79 112.68 -108.17 -70.31 144.32 85.68 12.49 1.82 70.63 11.01 3.33 0.64 1.24 0.00 10.74 2.41 54 T C E 51.36 12.63 20.16 32.70 119.76 -159.09 -110.20 136.78 50.15 47.10 2.74 37.16 10.22 3.09 1.46 1.58 0.04 41.35 5.10 55 I E E 42.13 18.15 17.61 35.04 113.81 -146.38 -97.59 121.65 33.06 63.88 3.07 25.68 5.03 1.93 2.20 1.39 0.04 55.40 8.32 56 V C E 50.46 13.74 20.07 33.58 119.51 -174.57 -109.01 138.20 49.21 45.52 5.27 35.52 10.02 3.66 3.92 1.88 0.05 41.47 3.49 57 G C H 24.57 11.61 20.73 31.98 120.98 13.58 82.73 -164.54 58.58 11.20 30.23 23.48 22.35 13.31 25.30 4.59 0.28 8.96 1.73 58 P H H 58.84 11.05 21.30 32.24 94.55 -27.79 -66.93 -30.52 38.92 7.54 53.54 17.78 8.63 14.16 45.20 6.24 0.22 6.65 1.13 59 M H H 33.81 18.99 20.80 38.42 93.72 58.65 -67.26 -36.78 22.02 15.72 62.25 11.60 4.26 7.72 52.42 7.31 0.30 14.93 1.46 60 F H H 18.88 22.19 21.13 42.06 93.22 54.02 -65.67 -40.42 12.69 15.94 71.38 6.99 2.27 4.32 63.52 5.91 0.15 15.98 0.87 61 Y H H 68.69 14.05 24.27 37.68 92.55 52.94 -64.58 -40.43 10.01 11.98 78.01 4.91 1.87 4.06 70.58 5.26 0.14 12.53 0.64 62 N H H 38.32 14.72 24.63 38.83 92.53 50.69 -66.96 -38.52 12.38 8.82 78.80 5.69 2.17 5.50 71.21 5.34 0.18 9.24 0.68 63 L H H 6.23 24.22 22.34 45.79 92.36 52.44 -65.56 -41.46 12.45 5.86 81.69 4.64 2.26 6.53 74.39 5.56 0.26 5.73 0.62 64 Y H H 38.24 19.44 23.37 41.48 92.18 51.59 -64.80 -40.03 17.06 7.85 75.09 5.50 3.02 9.72 67.83 5.37 0.44 7.26 0.87 65 N H H 52.94 11.74 24.80 36.59 93.25 51.35 -69.49 -32.42 28.08 8.71 63.20 7.62 4.76 16.48 56.50 5.12 0.44 8.17 0.90 66 F H H 33.01 18.34 22.21 39.53 96.61 49.89 -78.29 -31.36 28.19 19.31 52.50 9.99 5.66 13.80 46.38 4.90 0.47 17.29 1.51 67 V H H 15.90 21.75 19.98 40.65 100.97 59.15 -79.75 -19.19 25.46 36.70 37.84 12.58 5.22 7.86 35.86 3.61 0.25 32.48 2.13 68 R E E 94.36 12.46 23.09 34.55 101.73 67.75 -78.65 -3.88 27.13 45.59 27.28 15.13 4.30 7.12 26.37 3.23 0.15 41.64 2.06 69 I E E 44.84 16.59 18.12 33.95 104.27 79.54 -85.39 22.08 35.52 39.02 25.46 17.63 6.58 11.26 23.42 3.75 0.30 34.60 2.46 70 G C T 30.68 12.13 19.11 30.59 107.90 30.78 44.45 -47.76 60.12 18.37 21.50 22.65 12.40 25.00 17.91 4.08 0.20 16.14 1.63 71 R C C 108.68 10.00 18.12 28.12 108.41 40.49 -89.58 79.66 60.59 13.87 25.54 24.87 15.11 21.34 20.40 4.94 0.23 11.19 1.92 72 V C H 59.56 13.74 16.46 29.77 99.39 -140.48 -74.58 -25.03 53.06 12.52 34.42 22.47 13.42 18.60 27.89 5.50 0.35 9.58 2.20 73 S C H 46.40 11.38 18.27 29.53 105.73 58.73 -79.73 -28.71 52.27 9.20 38.53 21.75 11.50 19.65 31.74 6.19 0.17 7.59 1.41 74 K H H 89.77 12.86 19.38 31.31 96.88 23.84 -72.98 -30.80 40.53 17.78 41.69 15.79 9.53 16.53 34.08 6.63 0.40 15.27 1.77 75 Y E E 62.50 15.97 19.83 34.85 97.50 55.42 -78.59 -31.46 24.14 38.54 37.33 13.00 5.37 7.08 33.26 4.85 0.25 34.03 2.15 76 V E E 30.45 16.56 21.44 37.36 96.69 57.06 -69.73 -38.78 15.15 46.31 38.54 9.21 2.66 3.36 35.74 4.19 0.08 43.48 1.28 77 C E E 20.44 18.51 21.79 39.34 96.36 53.29 -68.41 -36.41 13.41 45.30 41.30 7.88 2.25 3.39 36.22 5.58 0.07 43.68 0.92 78 W H H 43.29 19.55 22.30 40.33 96.05 52.59 -71.36 -33.05 14.70 38.21 47.10 7.93 2.65 4.60 39.59 7.47 0.11 36.60 1.05 79 L H H 36.04 17.97 22.26 39.04 96.83 54.97 -74.71 -26.68 25.76 31.88 42.36 11.75 5.19 10.09 34.24 7.90 0.37 28.70 1.75 80 S C H 35.97 14.48 23.34 36.98 99.03 53.93 -85.71 -8.42 43.17 22.01 34.82 18.05 10.26 16.19 27.32 6.73 0.59 18.44 2.40 81 L C C 18.36 21.74 18.74 39.73 109.97 93.24 -85.61 114.25 63.52 9.27 27.21 35.47 22.03 5.78 25.70 2.44 0.07 6.59 1.92 82 P C H 34.62 15.11 20.59 35.53 103.88 -106.25 -67.22 118.08 47.70 5.16 47.14 37.97 4.58 4.48 46.50 1.80 0.01 3.68 0.97 83 L H H 71.03 9.90 21.76 31.76 93.69 -27.37 -63.74 -37.54 6.46 1.08 92.46 3.85 1.29 2.19 90.35 1.24 0.02 0.90 0.15 84 V H H 33.98 13.77 21.37 35.24 92.78 51.33 -65.48 -41.81 2.38 0.96 96.66 1.21 0.40 1.02 95.43 0.92 0.01 0.93 0.07 85 F H H 17.32 21.03 19.27 39.79 92.44 49.32 -65.68 -42.03 1.67 0.88 97.46 0.77 0.25 0.76 96.43 0.85 0.01 0.87 0.06 86 Q H H 55.31 13.60 20.81 34.12 92.17 51.85 -63.93 -41.76 1.47 0.60 97.93 0.60 0.20 0.73 97.16 0.67 0.01 0.58 0.05 87 R H H 101.70 6.40 22.85 29.58 92.18 49.94 -65.50 -41.27 1.77 0.49 97.74 0.57 0.20 1.05 97.03 0.64 0.02 0.45 0.05 88 M H H 28.98 14.34 19.19 34.22 92.45 49.71 -65.79 -41.84 2.83 0.56 96.62 0.77 0.28 1.87 95.72 0.78 0.02 0.50 0.06 89 W H H 40.45 17.30 17.31 34.47 92.64 49.81 -65.73 -41.17 5.40 0.69 93.91 1.24 0.53 3.80 92.67 1.01 0.05 0.59 0.11 90 M H H 84.67 7.30 18.89 26.86 92.70 50.22 -67.20 -38.23 12.18 1.00 86.82 2.95 1.45 8.15 85.02 1.31 0.10 0.76 0.26 91 K H H 112.21 4.54 18.41 23.45 93.97 49.98 -71.23 -33.50 23.00 1.42 75.58 5.12 3.18 15.31 73.01 1.78 0.19 0.93 0.47 92 N H H 56.90 11.65 14.21 26.29 98.18 47.60 -82.56 -9.44 40.08 2.24 57.68 14.22 7.07 20.16 53.91 2.42 0.13 1.21 0.87 93 R H H 126.21 7.89 14.94 23.62 97.10 80.84 -68.20 -21.47 47.34 3.79 48.87 22.51 7.97 18.41 43.14 4.33 0.12 2.18 1.34 94 A C H 59.69 7.72 13.20 22.02 99.83 67.11 -76.56 -13.17 54.89 3.79 41.32 23.60 9.98 22.23 35.06 5.43 0.12 2.28 1.30 95 T C T 80.93 5.95 13.86 20.93 101.18 63.42 -88.21 1.89 69.75 3.10 27.14 15.24 13.06 40.80 21.92 5.84 0.12 1.81 1.20 96 G C T 53.05 3.59 15.59 20.25 99.24 -100.01 81.02 8.85 89.43 4.23 6.33 28.42 18.81 43.24 3.01 2.66 0.01 3.08 0.77 97 M C C 69.11 12.16 11.33 24.12 117.39 138.39 -91.94 138.38 80.88 15.65 3.47 61.66 13.23 5.34 1.53 1.94 0.00 14.54 1.75 98 E C C 121.01 5.06 17.65 24.02 115.96 -145.59 -99.62 129.67 57.09 39.19 3.72 46.51 6.60 3.48 1.82 1.98 0.01 37.19 2.41 99 Y E E 66.95 17.27 12.38 28.91 124.29 -171.30 -116.82 138.40 47.14 49.89 2.97 37.81 6.32 2.63 1.58 1.50 0.01 48.03 2.12 100 D E E 88.66 5.48 20.56 26.82 114.39 -154.39 -103.02 120.19 41.36 56.20 2.43 34.24 4.58 2.04 1.33 1.19 0.00 55.02 1.59 101 I E E 36.49 19.76 12.32 31.25 119.44 -168.29 -109.32 129.07 42.27 55.25 2.48 36.73 3.76 1.32 1.55 1.09 0.01 52.92 2.64 102 D C C 74.23 5.75 20.24 26.52 111.22 -153.58 -98.58 114.72 56.15 41.06 2.79 50.91 3.18 1.48 1.43 1.25 0.00 39.70 2.05 103 L C G 54.36 17.48 11.90 28.53 97.17 -168.36 -76.20 -10.04 46.36 11.46 42.19 31.02 7.05 9.95 7.97 32.88 0.01 10.01 1.12 104 E C G 126.98 3.89 16.66 21.68 95.36 77.64 -70.78 -20.38 46.85 7.81 45.33 10.64 9.44 28.67 7.51 35.97 0.14 6.31 1.32 105 N C G 94.63 5.84 16.42 23.10 101.42 50.13 -96.03 13.59 49.41 6.96 43.63 13.16 10.23 28.02 6.33 35.50 0.06 5.52 1.18 106 Y C C 60.23 17.10 11.92 28.43 117.03 108.21 -96.89 132.67 69.93 13.83 16.25 45.39 18.68 5.79 8.36 7.93 0.07 7.58 6.21 107 A C C 46.46 9.13 17.79 27.81 119.34 -138.01 -94.89 143.74 82.11 7.79 10.10 61.56 15.95 4.30 7.15 3.35 0.01 5.43 2.25 108 P C C 63.85 10.97 16.95 28.22 109.64 -104.09 -69.02 143.60 75.47 6.77 17.75 54.75 11.50 9.02 11.56 6.49 0.02 4.93 1.72 109 F C C 73.50 14.63 13.85 28.22 114.14 -138.31 -95.18 133.47 59.61 13.17 27.22 41.53 9.64 7.93 18.78 9.00 0.06 9.34 3.73 110 E C C 106.07 6.44 17.06 24.37 114.24 -151.66 -95.04 127.93 52.97 16.34 30.69 38.08 7.69 6.91 21.36 9.72 0.06 12.96 3.22 111 A C C 47.74 12.26 11.64 24.15 111.05 -138.64 -81.85 127.38 53.81 14.28 31.91 36.03 8.94 8.81 19.64 12.49 0.07 11.30 2.72 112 K C C 123.71 5.73 13.73 20.71 109.69 -158.49 -88.84 112.35 61.38 12.05 26.57 37.58 12.30 12.08 15.79 10.57 0.07 8.95 2.67 113 K C C 135.17 4.31 13.06 18.80 108.91 -122.97 -87.12 111.08 72.69 8.85 18.46 37.63 23.99 12.35 10.82 6.90 0.09 5.36 2.85 114 N C C 80.75 7.80 11.02 20.16 112.89 -134.27 -102.44 114.29 94.62 3.47 1.91 65.36 27.08 2.46 0.98 0.82 0.00 1.87 1.42 115 P C C 80.23 6.33 11.43 19.46 106.32 -137.78 -68.68 121.82 87.19 2.72 10.09 48.31 11.10 27.97 2.20 7.79 0.00 1.68 0.93 116 M C C 116.77 5.44 10.36 17.31 108.56 -119.60 -86.52 101.39 83.05 5.88 11.06 36.74 15.63 31.56 2.09 8.55 0.01 3.31 2.11 117 H C C 130.07 4.30 9.36 15.33 111.11 97.74 -95.74 114.53 81.45 8.14 10.40 41.21 16.62 24.34 2.15 8.00 0.01 4.56 3.11 118 G C C 53.09 3.10 10.73 15.43 111.48 1.75 91.08 91.53 93.21 3.68 3.11 69.15 5.71 18.58 0.70 2.17 0.00 2.48 1.22 119 H C C 131.83 4.59 11.44 17.67 110.03 -101.21 -92.24 117.13 99.34 0.61 0.05 98.62 0.63 0.19 0.02 0.01 0.00 0.35 0.18