# 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 S C C 64.88 5.55 12.44 19.44 119.22 -157.68 -97.65 153.69 99.86 0.09 0.06 99.60 0.21 0.10 0.02 0.01 0.00 0.04 0.02 1 N C C 111.33 4.25 10.49 16.14 103.25 -137.39 -86.08 10.68 74.60 1.17 24.24 62.13 2.56 8.68 2.71 22.83 0.00 0.65 0.44 2 E C G 137.42 2.89 10.60 15.07 98.09 94.66 -77.95 -9.12 68.61 1.30 30.09 24.58 13.11 29.11 1.84 30.14 0.00 0.67 0.54 3 D C G 93.49 5.47 10.82 17.69 100.46 57.64 -92.44 11.52 68.01 1.73 30.26 29.00 13.45 23.64 1.85 30.51 0.00 0.89 0.67 4 L C C 83.92 6.70 11.53 19.97 117.75 117.76 -88.73 137.24 97.47 1.80 0.73 56.04 40.78 0.92 0.23 0.40 0.00 0.79 0.84 5 P C C 74.92 8.78 11.48 21.51 112.59 -109.07 -67.79 145.01 93.91 5.38 0.71 84.19 8.27 1.25 0.28 0.40 0.00 2.53 3.08 6 V C C 78.74 7.00 11.98 20.66 116.74 -125.11 -97.08 132.64 93.13 6.34 0.53 79.20 12.85 0.89 0.20 0.34 0.00 3.48 3.04 7 P C C 110.48 2.24 14.13 17.81 111.94 -112.85 -69.37 135.21 93.96 4.89 1.15 86.93 4.97 1.88 0.32 0.83 0.00 3.09 1.97 8 M C C 78.98 11.57 8.26 20.17 121.39 -159.88 -104.06 144.33 95.73 2.61 1.67 86.90 5.87 2.77 0.48 1.18 0.00 1.33 1.47 9 E C C 138.84 2.18 15.16 18.09 113.88 -119.61 -81.64 140.30 96.51 2.31 1.18 77.29 16.09 2.68 0.35 0.88 0.00 1.01 1.70 10 N C C 59.70 9.93 11.13 22.41 109.10 -115.37 -89.07 112.37 98.46 1.26 0.29 82.91 14.59 0.75 0.10 0.18 0.00 0.43 1.05 11 P C T 61.13 8.73 12.58 23.51 92.28 -155.57 -65.96 -18.99 92.93 0.55 6.52 12.21 11.22 68.56 0.55 6.87 0.00 0.30 0.29 12 Y C T 101.06 10.23 11.24 22.40 95.70 62.76 -85.67 -4.71 92.22 1.19 6.58 8.88 12.92 69.61 0.61 6.71 0.00 0.74 0.53 13 K C C 137.72 3.35 13.24 17.89 98.45 77.60 -79.52 -10.26 85.47 6.05 8.48 40.13 33.31 11.30 1.30 7.39 0.00 2.38 4.20 14 E C C 121.61 3.10 12.25 17.04 119.57 64.49 -104.17 137.47 95.66 3.34 1.00 55.83 38.33 1.69 0.36 0.59 0.00 1.51 1.70 15 P C C 92.67 4.10 14.21 19.80 114.56 -98.75 -65.78 147.95 96.62 2.03 1.35 87.60 6.42 2.54 0.38 0.91 0.00 1.10 1.05 16 L C C 64.18 14.24 10.58 24.82 113.06 -105.65 -70.40 138.96 95.63 3.17 1.21 87.78 5.75 2.04 0.37 0.81 0.00 1.74 1.50 17 K C C 121.57 6.00 17.30 24.44 106.24 -151.67 -94.99 28.40 87.45 11.91 0.64 71.24 14.60 1.58 0.20 0.49 0.00 8.85 3.05 18 K E B 107.32 6.78 19.60 27.19 125.77 -83.92 -111.44 144.48 29.68 69.85 0.47 24.21 2.61 0.25 0.36 0.15 0.00 23.97 48.44 19 C C C 9.45 20.72 12.75 34.02 112.10 -110.29 -71.12 133.47 64.66 35.13 0.21 63.87 1.63 0.27 0.10 0.11 0.00 21.93 12.10 20 I C T 56.14 10.25 20.45 32.10 93.17 -140.16 -68.66 -26.56 95.21 2.94 1.86 2.15 9.70 83.39 0.12 1.81 0.00 2.30 0.52 21 L C T 33.79 17.63 16.39 33.45 96.88 49.37 -78.46 -38.36 95.74 2.41 1.86 1.52 7.35 87.31 0.11 1.67 0.00 1.51 0.54 22 C C T 43.41 10.35 15.00 26.60 101.55 24.74 -106.17 -4.87 97.49 0.92 1.59 3.49 11.35 82.49 0.11 1.69 0.00 0.61 0.27 23 E C T 145.49 2.94 16.73 20.78 94.33 -121.72 64.75 22.39 98.16 1.25 0.59 30.85 18.97 48.45 0.11 0.48 0.00 0.90 0.24 24 K C C 93.83 6.75 14.45 23.01 121.69 125.03 -96.55 143.87 59.97 39.67 0.36 38.91 20.45 1.82 0.13 0.31 0.00 32.68 5.69 25 H E E 125.68 4.85 19.81 25.84 112.93 -115.14 -79.96 130.28 23.72 76.02 0.26 19.70 1.64 0.21 0.22 0.10 0.00 43.63 34.50 26 V C C 10.14 23.55 10.72 34.13 118.23 -147.58 -99.92 135.04 82.50 17.37 0.14 80.80 1.84 0.19 0.04 0.09 0.00 14.44 2.59 27 D C C 66.52 5.75 23.74 29.44 119.25 -153.25 -108.00 143.63 94.18 5.51 0.31 91.78 2.41 0.45 0.11 0.18 0.00 2.55 2.52 28 Y C T 71.20 18.33 13.43 31.21 92.26 -123.14 -64.12 -21.23 91.06 0.39 8.56 2.34 6.75 81.69 1.31 7.49 0.00 0.22 0.20 29 K C T 138.15 3.41 19.19 23.43 92.28 63.89 -80.08 -11.61 91.55 0.19 8.26 2.20 5.81 83.61 1.34 6.82 0.00 0.11 0.11 30 N C C 51.56 12.08 14.98 27.93 103.49 83.00 -95.01 79.85 89.79 1.62 8.60 77.46 8.91 2.80 3.70 5.16 0.00 0.55 1.42 31 V H H 58.71 15.13 14.47 29.47 93.59 167.89 -65.40 -34.51 5.82 0.06 94.12 2.60 0.93 2.59 88.91 4.91 0.00 0.03 0.02 32 Q H H 116.82 2.76 21.57 24.45 91.58 59.07 -63.84 -38.94 1.78 0.02 98.21 0.27 0.19 1.22 91.96 6.34 0.00 0.01 0.00 33 L H H 25.31 15.76 18.72 34.78 91.86 50.47 -65.70 -41.04 0.84 0.01 99.14 0.12 0.09 0.58 92.95 6.25 0.00 0.01 0.00 34 L H H 5.30 25.62 16.37 42.15 91.46 52.47 -64.47 -38.28 1.05 0.01 98.94 0.13 0.09 0.74 92.56 6.48 0.00 0.01 0.00 35 S H H 47.66 12.01 21.89 33.75 90.69 58.95 -65.51 -28.21 10.56 0.04 89.40 0.49 0.49 8.88 70.71 19.36 0.03 0.02 0.02 36 Q H H 87.07 8.76 24.68 33.96 92.09 58.58 -75.97 -18.47 39.81 0.08 60.12 0.77 1.50 38.82 42.29 16.49 0.04 0.04 0.06 37 F C T 7.93 23.92 19.09 43.35 98.20 49.85 -97.78 -6.16 57.45 0.85 41.70 3.85 5.49 46.72 25.88 16.96 0.13 0.49 0.50 38 I E B 21.90 20.80 19.43 40.18 118.28 92.52 -96.59 134.99 5.29 94.58 0.13 2.70 0.76 0.02 0.14 0.01 0.00 8.86 87.50 39 S C C 16.74 15.41 17.16 33.81 110.10 -116.05 -70.51 129.23 93.65 6.30 0.05 94.30 0.42 0.07 0.02 0.01 0.00 4.29 0.90 40 P C T 80.28 8.84 17.78 27.74 92.47 -137.11 -65.91 -25.55 99.73 0.08 0.19 0.26 2.64 96.92 0.01 0.11 0.00 0.04 0.02 41 F C T 140.75 3.45 18.84 22.80 99.41 43.35 -84.17 -39.37 99.73 0.06 0.21 0.08 1.97 97.78 0.00 0.12 0.00 0.03 0.02 42 T C T 60.41 7.48 18.28 26.72 102.35 19.41 -107.17 -16.01 99.79 0.04 0.17 0.35 2.55 96.95 0.01 0.10 0.00 0.02 0.01 43 G C C 11.77 17.03 16.74 34.23 95.41 -120.79 78.38 9.83 99.22 0.53 0.24 69.60 15.03 14.61 0.07 0.16 0.00 0.28 0.25 44 C C C 35.58 12.03 23.52 36.24 122.59 136.64 -86.35 151.06 81.19 18.69 0.13 59.65 22.67 0.48 0.05 0.10 0.00 11.62 5.43 45 I E B 9.80 23.81 19.52 43.54 114.86 -115.12 -83.18 134.00 7.06 92.84 0.09 5.63 0.47 0.03 0.12 0.01 0.00 20.54 73.20 46 Y C C 38.78 17.52 21.97 39.24 116.89 -130.38 -87.79 138.51 85.48 14.33 0.19 82.53 2.89 0.30 0.09 0.10 0.00 12.05 2.04 47 G C C 13.15 14.47 20.77 35.44 121.42 -127.74 -83.78 161.71 93.17 3.60 3.23 84.44 6.89 1.50 2.75 0.67 0.00 1.75 2.00 48 R H H 106.87 14.14 16.20 29.92 92.55 -106.32 -62.45 -30.44 35.81 1.06 63.12 2.83 5.46 25.59 45.73 17.40 1.74 0.51 0.73 49 H H H 136.42 3.17 19.90 23.65 92.36 58.08 -71.96 -24.65 37.12 0.65 62.23 2.47 4.90 27.16 45.25 18.47 0.87 0.34 0.53 50 I H H 68.88 11.78 17.57 29.43 101.21 37.31 -96.01 -22.73 39.66 1.45 58.89 4.37 7.93 26.30 43.47 15.13 1.04 0.72 1.04 51 T C H 20.62 20.19 14.77 33.87 103.74 40.56 -98.95 -12.37 54.84 3.88 41.28 17.04 19.81 20.64 34.07 3.91 0.62 1.37 2.54 52 G C C 37.51 6.95 23.31 30.99 95.99 -123.80 80.03 11.91 94.62 3.72 1.65 50.89 24.34 19.84 0.57 0.96 0.00 2.16 1.24 53 L C C 17.11 21.55 11.20 32.48 119.17 135.38 -81.98 145.51 86.94 12.19 0.87 69.14 15.22 1.09 0.62 0.29 0.00 3.43 10.22 54 C C C 53.98 5.70 19.84 26.11 120.51 -114.90 -75.93 161.72 96.21 3.11 0.68 94.53 1.70 0.33 0.52 0.10 0.00 1.19 1.63 55 G H H 46.72 4.69 16.48 22.54 94.47 -94.46 -55.74 -48.01 2.83 0.01 97.16 0.58 0.57 1.49 96.86 0.49 0.00 0.00 0.01 56 K H H 143.80 1.53 19.24 19.85 92.07 47.39 -65.58 -39.86 0.92 0.00 99.08 0.10 0.07 0.64 98.75 0.43 0.00 0.00 0.00 57 K H H 62.21 13.08 17.20 30.47 92.26 49.56 -66.73 -38.54 0.44 0.00 99.55 0.06 0.03 0.28 99.19 0.43 0.00 0.00 0.00 58 Q H H 29.87 18.57 15.24 33.55 91.48 53.64 -61.91 -42.34 0.15 0.00 99.85 0.02 0.01 0.08 99.82 0.07 0.00 0.00 0.00 59 K H H 118.04 2.85 23.91 26.20 91.34 50.49 -63.62 -41.24 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.02 0.00 0.00 0.00 60 E H H 81.21 6.83 23.24 30.42 91.57 49.71 -64.63 -41.44 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 61 I H H 4.92 24.56 18.03 42.66 91.64 49.59 -64.26 -42.86 0.16 0.00 99.84 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 62 T H H 38.80 13.86 22.66 36.12 91.43 51.47 -62.66 -42.50 0.28 0.00 99.72 0.01 0.01 0.21 99.73 0.03 0.00 0.00 0.00 63 K H H 109.16 2.65 26.83 28.36 91.47 49.74 -64.31 -41.69 0.25 0.00 99.75 0.01 0.01 0.19 99.76 0.03 0.00 0.00 0.00 64 A H H 11.32 15.56 21.42 37.67 91.68 50.35 -63.99 -42.85 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 65 I H H 7.25 24.05 19.07 42.91 91.59 49.89 -63.48 -42.67 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 66 K H H 102.24 6.40 24.55 31.32 91.53 51.08 -63.00 -41.93 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 67 R H H 107.59 4.87 24.16 28.90 91.70 49.16 -64.57 -41.53 0.12 0.00 99.88 0.01 0.01 0.09 99.88 0.03 0.00 0.00 0.00 68 A H H 5.60 18.87 15.57 35.52 91.14 50.96 -63.87 -42.28 0.15 0.00 99.85 0.01 0.01 0.10 99.81 0.06 0.00 0.00 0.00 69 Q H H 65.04 12.93 16.96 29.87 92.02 50.98 -64.02 -41.32 0.33 0.00 99.67 0.02 0.01 0.25 99.55 0.17 0.00 0.00 0.00 70 I H H 118.23 2.62 19.03 21.58 91.53 51.24 -66.03 -34.42 1.94 0.00 98.05 0.03 0.05 1.95 97.75 0.21 0.00 0.00 0.00 71 L C T 81.06 7.24 15.27 23.73 92.67 51.35 -86.08 -4.39 64.64 0.03 35.33 0.18 0.68 63.99 34.55 0.57 0.01 0.01 0.03 72 G C T 45.82 5.88 16.72 23.60 95.01 -108.46 81.58 9.64 99.57 0.02 0.41 0.42 1.87 97.43 0.22 0.04 0.00 0.01 0.01 73 F C S 80.27 11.25 16.14 28.13 96.46 119.35 -83.05 -24.38 99.47 0.43 0.10 7.77 89.39 2.40 0.03 0.03 0.00 0.15 0.22 74 M C S 33.80 17.75 12.70 30.36 128.31 27.99 -132.33 140.81 98.45 1.45 0.10 10.67 87.39 0.63 0.02 0.04 0.00 0.50 0.75 75 P C C 77.14 5.42 20.11 25.96 110.75 -117.65 -69.68 139.42 98.73 1.13 0.14 79.64 18.09 1.00 0.03 0.13 0.00 0.56 0.55 76 V C C 60.05 15.62 12.77 27.78 117.20 -139.13 -103.53 132.14 93.46 6.05 0.49 78.51 12.77 1.25 0.17 0.32 0.00 2.21 4.77 77 T C C 74.19 6.86 16.70 24.61 112.13 -166.37 -105.59 113.47 95.09 4.38 0.52 76.65 16.07 2.04 0.15 0.40 0.00 2.09 2.59 78 Y C C 91.75 13.17 10.90 24.11 114.71 -146.92 -96.51 122.56 94.96 4.37 0.67 80.98 10.86 2.57 0.23 0.45 0.00 1.78 3.14 79 K C C 144.88 3.16 15.02 19.43 99.15 -167.50 -88.44 -14.65 98.59 0.90 0.51 55.85 39.68 3.10 0.18 0.29 0.00 0.32 0.59 80 D C C 64.51 7.02 12.57 21.44 111.36 82.22 -100.63 109.70 99.25 0.44 0.30 77.46 21.38 0.35 0.20 0.08 0.00 0.11 0.42 81 P H H 80.47 6.16 12.66 20.88 92.79 -161.24 -61.91 -30.20 17.35 0.12 82.53 2.57 1.76 11.17 45.80 38.57 0.01 0.07 0.05 82 A H H 59.97 3.63 15.57 20.35 90.55 62.59 -64.08 -32.28 8.71 0.07 91.22 0.86 0.71 6.07 51.05 41.24 0.01 0.04 0.02 83 Y H H 45.87 13.97 12.42 27.17 92.51 54.44 -68.46 -34.37 3.86 0.05 96.09 0.57 0.39 2.52 53.00 43.47 0.00 0.03 0.01 84 L H H 56.91 13.39 13.34 27.17 91.80 57.95 -69.51 -24.44 11.58 0.09 88.33 1.18 1.02 7.84 50.80 39.05 0.01 0.05 0.04 85 K H T 143.51 2.40 18.07 20.41 96.06 52.71 -90.95 -6.89 45.52 0.66 53.82 4.48 6.66 32.69 23.11 32.06 0.12 0.31 0.59 86 D C C 50.23 9.36 11.79 23.11 107.90 99.78 -88.94 110.18 99.49 0.35 0.16 85.43 13.73 0.22 0.10 0.04 0.00 0.08 0.40 87 P C T 79.56 7.81 12.84 22.65 92.07 -164.14 -62.88 -25.54 58.67 0.14 41.19 2.57 3.13 53.58 10.97 29.52 0.01 0.07 0.14 88 K C T 139.52 3.01 17.05 20.91 92.12 63.34 -70.88 -22.60 58.23 0.18 41.59 1.65 3.27 53.74 12.95 28.08 0.02 0.09 0.20 89 V C T 39.72 13.73 14.75 28.81 97.36 46.24 -83.23 -31.36 57.37 0.91 41.73 4.20 7.59 44.49 11.96 30.40 0.12 0.47 0.77 90 C C C 28.41 16.84 13.37 29.82 103.79 40.07 -104.50 3.77 61.99 7.10 30.90 23.98 21.10 18.18 14.40 14.48 0.43 2.68 4.75 91 N C C 78.24 6.25 17.89 25.09 108.64 123.08 -93.36 101.51 88.03 4.97 7.01 67.52 13.65 6.27 3.41 3.71 0.00 2.53 2.92 92 I C C 63.74 13.63 10.54 24.30 110.77 -169.05 -88.59 120.02 72.05 3.85 24.11 41.97 11.88 18.17 5.91 18.30 0.01 2.20 1.57 93 K C C 137.34 3.29 13.89 18.39 104.04 105.99 -86.91 0.85 72.21 3.23 24.56 31.20 17.25 24.83 5.06 18.56 0.02 1.74 1.34 94 Y C C 134.04 6.27 9.63 17.33 107.30 58.36 -90.72 78.14 72.05 3.64 24.31 39.67 16.61 16.39 4.40 19.49 0.01 1.99 1.44 95 R C C 142.89 5.01 8.95 15.75 111.09 115.12 -90.46 115.67 89.26 2.14 8.60 83.67 1.58 5.90 3.05 3.64 0.00 1.18 0.98 96 E C C 142.71 2.54 11.67 15.82 109.41 -130.71 -80.35 120.44 99.77 0.13 0.09 99.51 0.18 0.15 0.04 0.01 0.00 0.07 0.03