# 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 K C C 142.25 3.48 16.51 21.09 110.66 -130.82 -86.28 125.71 99.74 0.10 0.15 99.54 0.16 0.12 0.10 0.01 0.00 0.04 0.02 1 A C C 56.34 10.79 10.22 21.42 113.50 -118.73 -76.42 140.81 78.61 2.06 19.33 72.97 1.47 4.90 15.94 2.66 0.00 1.12 0.94 2 K C C 122.82 5.53 13.04 20.13 112.59 -142.13 -87.36 135.83 72.03 3.67 24.30 53.46 10.29 7.66 20.30 4.79 0.01 2.06 1.43 3 T C C 73.05 7.14 13.60 21.94 115.43 -143.97 -94.91 143.82 63.01 5.50 31.48 45.65 9.70 7.50 25.39 6.51 0.02 3.38 1.86 4 R C H 118.43 9.46 14.45 24.46 98.38 -135.68 -73.09 -22.85 49.25 5.92 44.82 31.59 10.03 9.46 35.03 8.23 0.08 3.83 1.74 5 S C H 42.19 11.85 12.88 25.13 100.46 66.88 -75.69 -25.80 49.28 6.14 44.58 31.08 9.24 10.47 34.25 9.00 0.08 4.14 1.74 6 S C H 66.49 6.47 15.04 22.46 95.66 58.51 -71.60 -25.94 49.42 5.80 44.79 28.25 9.96 12.76 32.94 10.43 0.10 3.80 1.76 7 R C H 138.19 6.02 15.41 22.48 95.24 62.27 -74.06 -20.59 50.90 5.59 43.51 19.72 12.57 20.48 30.46 10.93 0.38 3.40 2.07 8 A C T 41.48 12.72 14.00 26.93 97.45 54.70 -84.65 -0.64 70.24 2.05 27.72 12.22 13.84 43.52 17.97 10.05 0.12 1.12 1.17 9 G C T 46.58 4.93 19.49 24.99 98.13 -107.69 83.36 7.35 88.74 2.41 8.85 22.09 17.73 49.66 3.58 4.64 0.01 1.51 0.79 10 L C C 31.70 18.95 12.07 30.54 116.32 130.18 -92.45 131.70 82.06 13.27 4.67 66.17 9.85 5.35 2.20 2.55 0.00 9.01 4.87 11 Q C C 111.21 5.86 21.90 28.34 114.11 -160.21 -102.68 121.10 79.25 17.44 3.31 58.18 16.83 3.83 2.12 1.49 0.01 11.83 5.72 12 F C C 33.42 20.44 14.51 34.25 119.85 -158.13 -108.07 129.53 87.57 10.92 1.51 62.37 24.52 1.25 1.36 0.43 0.00 7.97 2.10 13 P C C 52.51 8.37 23.17 32.05 109.92 -115.25 -68.30 137.26 89.33 7.76 2.91 85.78 2.48 1.27 2.49 0.54 0.00 5.24 2.20 14 V H H 37.85 19.92 15.97 34.67 94.45 -133.61 -62.86 -35.25 23.92 0.56 75.53 11.18 4.27 9.50 72.34 2.14 0.04 0.26 0.26 15 G H H 31.74 6.51 21.48 28.54 93.00 56.36 -61.31 -42.12 11.60 0.21 88.19 3.57 1.86 6.53 85.99 1.83 0.03 0.11 0.08 16 R H H 100.39 7.73 22.75 30.56 92.24 50.67 -66.58 -39.46 3.89 0.14 95.97 1.70 0.65 1.82 94.14 1.55 0.01 0.09 0.03 17 V H H 4.60 24.08 16.99 41.15 91.81 51.16 -63.93 -43.45 1.74 0.09 98.18 0.74 0.26 0.84 97.31 0.77 0.01 0.06 0.01 18 H H H 54.01 14.63 20.56 34.84 91.52 51.17 -62.82 -41.97 1.38 0.06 98.56 0.50 0.18 0.72 97.95 0.59 0.01 0.04 0.01 19 R H H 122.11 2.76 24.07 25.82 91.60 50.69 -64.06 -42.12 1.67 0.07 98.26 0.45 0.21 1.02 97.66 0.59 0.01 0.04 0.01 20 L H H 26.43 12.40 18.41 32.20 91.93 49.70 -64.56 -41.93 2.16 0.10 97.75 0.58 0.30 1.34 96.91 0.78 0.02 0.06 0.02 21 L H H 16.48 20.62 13.81 34.12 92.41 50.13 -65.46 -39.74 3.81 0.12 96.07 0.87 0.44 2.58 94.52 1.46 0.03 0.07 0.03 22 R H H 143.85 5.00 17.66 23.85 92.13 51.91 -66.79 -32.91 11.56 0.13 88.31 1.06 0.96 9.65 86.75 1.39 0.07 0.06 0.06 23 K C T 140.97 2.01 17.11 18.86 95.04 48.70 -85.26 -8.82 58.54 0.21 41.25 1.68 3.75 51.48 41.07 1.75 0.04 0.08 0.16 24 G C T 39.55 8.27 14.54 23.57 102.80 -96.68 82.89 11.07 93.14 0.22 6.63 5.08 11.27 76.71 5.39 1.30 0.00 0.10 0.16 25 N C C 81.57 6.28 17.19 24.47 100.66 132.39 -87.89 49.74 83.04 0.91 16.05 45.46 20.51 17.30 11.37 4.35 0.00 0.35 0.65 26 Y H H 37.62 17.78 13.57 31.16 95.58 126.35 -75.35 -25.18 39.58 1.42 59.00 19.95 7.78 13.60 44.19 12.93 0.10 0.70 0.73 27 A H H 33.27 14.56 13.62 28.38 92.32 69.76 -63.06 -33.13 17.76 0.68 81.57 5.32 3.04 9.10 59.39 22.43 0.09 0.42 0.22 28 E H H 147.54 1.37 19.55 20.00 92.47 55.12 -70.17 -28.55 16.09 0.49 83.42 2.95 2.39 9.95 61.83 22.28 0.13 0.30 0.17 29 R H H 125.96 6.74 17.46 24.90 97.34 48.40 -81.21 -30.06 21.18 0.55 78.26 3.17 3.79 14.26 62.57 15.37 0.28 0.29 0.28 30 V H H 34.60 17.58 11.92 28.64 104.14 38.66 -102.63 -13.38 41.16 3.91 54.93 11.31 17.81 16.06 46.52 3.88 0.42 1.13 2.87 31 G C C 35.16 4.50 18.83 24.13 123.87 -130.03 83.77 -169.38 66.43 1.29 32.29 41.34 8.15 14.86 6.05 28.18 0.00 0.60 0.81 32 A C T 84.27 4.10 16.64 22.08 95.29 -39.06 -67.47 -15.72 61.41 0.31 38.28 1.68 5.47 53.58 4.44 34.34 0.02 0.16 0.30 33 G C T 32.15 9.22 18.69 28.59 94.16 53.26 -76.15 -8.31 57.17 0.17 42.66 4.30 4.29 47.60 8.36 35.19 0.01 0.08 0.16 34 A H H 11.43 18.87 16.92 36.31 93.00 100.59 -61.11 -41.84 5.13 0.02 94.85 3.26 0.92 1.15 93.87 0.78 0.00 0.00 0.01 35 P H H 28.58 18.48 20.41 38.05 91.90 52.79 -63.68 -39.77 1.05 0.00 98.94 0.27 0.09 0.55 98.62 0.46 0.00 0.00 0.00 36 V H H 67.17 8.11 25.50 33.77 91.85 50.22 -64.81 -41.74 0.21 0.00 99.79 0.04 0.01 0.11 99.59 0.25 0.00 0.00 0.00 37 Y H H 69.21 12.80 25.16 37.72 91.75 49.16 -64.75 -42.66 0.11 0.00 99.89 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 38 L H H 9.19 23.54 22.67 45.48 91.53 49.64 -64.40 -42.69 0.12 0.00 99.88 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 39 A H H 19.35 16.35 23.56 39.65 91.25 51.46 -62.73 -41.97 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 40 A H H 39.70 6.78 26.29 33.97 91.31 50.64 -63.71 -42.27 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 41 V H H 19.06 17.72 23.56 40.99 91.64 49.64 -64.55 -42.91 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 42 L H H 9.95 23.31 21.43 44.11 91.41 50.81 -63.66 -41.85 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 43 E H H 86.37 10.09 24.63 34.69 91.35 51.61 -63.07 -41.38 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 44 Y H H 95.82 8.00 25.37 33.49 91.76 49.17 -65.00 -41.68 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 45 L H H 15.08 20.15 21.73 41.48 91.33 49.30 -65.22 -42.34 0.18 0.00 99.82 0.02 0.00 0.12 99.84 0.02 0.00 0.00 0.00 46 T H H 21.37 19.10 21.49 39.76 91.64 51.09 -63.48 -41.93 0.32 0.00 99.68 0.03 0.01 0.20 99.71 0.04 0.00 0.00 0.00 47 A H H 44.32 6.31 24.33 31.14 91.43 51.67 -63.68 -41.43 0.28 0.00 99.72 0.02 0.01 0.18 99.71 0.07 0.00 0.00 0.00 48 E H H 71.04 9.14 24.53 33.86 91.69 49.59 -65.27 -41.27 0.40 0.00 99.60 0.04 0.02 0.27 99.56 0.10 0.00 0.00 0.00 49 I H H 7.55 23.30 19.78 42.94 91.29 50.06 -64.15 -43.22 0.47 0.00 99.52 0.07 0.03 0.30 99.47 0.13 0.00 0.00 0.00 50 L H H 45.54 15.37 21.81 36.57 91.55 50.64 -63.23 -41.69 0.83 0.01 99.16 0.13 0.06 0.53 98.95 0.32 0.00 0.00 0.00 51 E H H 113.14 3.14 25.79 28.67 91.65 50.26 -64.36 -40.84 3.19 0.02 96.79 0.38 0.21 2.40 96.25 0.73 0.01 0.01 0.00 52 L H H 39.18 13.24 21.66 35.13 92.14 48.71 -66.55 -39.20 7.65 0.06 92.29 0.94 0.66 5.81 91.49 1.04 0.02 0.03 0.02 53 A H H 11.25 20.12 17.57 37.38 92.61 51.61 -67.36 -36.14 19.03 0.32 80.65 4.02 2.72 12.55 78.18 2.14 0.08 0.14 0.16 54 G H H 28.31 10.15 20.58 30.82 96.83 56.12 -61.80 -40.12 36.24 0.80 62.96 9.04 5.30 22.91 56.57 5.27 0.11 0.42 0.38 55 N H H 95.43 4.22 22.10 26.19 96.42 43.79 -76.30 -25.47 39.35 1.86 58.79 12.52 7.66 20.74 48.50 8.53 0.17 1.23 0.67 56 A H H 34.07 11.11 16.55 28.58 97.04 59.81 -72.93 -26.46 39.28 5.16 55.56 17.19 7.90 16.25 43.83 9.63 0.20 3.77 1.23 57 A H H 31.10 13.54 12.88 26.84 101.18 66.93 -77.92 -5.37 45.67 8.57 45.76 25.43 8.13 14.30 35.94 7.91 0.16 6.06 2.07 58 R C H 143.88 4.50 14.60 20.32 103.52 86.61 -82.49 3.10 53.84 9.34 36.83 25.66 11.18 18.49 29.50 6.14 0.42 5.97 2.65 59 D C T 105.85 2.94 13.43 17.25 102.89 45.80 -85.79 23.27 71.85 3.50 24.65 25.93 16.61 29.70 19.09 5.32 0.07 2.04 1.23 60 N C T 97.84 5.42 11.35 18.18 103.64 56.94 -86.56 46.67 82.81 1.07 16.12 27.08 20.09 36.01 10.19 5.53 0.01 0.49 0.60 61 K C C 146.21 3.39 12.72 17.38 100.07 136.74 -75.15 2.81 79.90 1.91 18.20 30.80 22.12 27.52 10.47 7.21 0.02 0.91 0.96 62 K C C 115.51 6.21 13.58 21.08 110.80 94.88 -89.80 115.77 73.99 5.51 20.50 39.75 18.49 16.18 12.13 8.19 0.03 3.23 1.99 63 T C C 68.43 10.35 14.51 25.38 107.74 64.76 -95.39 67.33 71.96 9.07 18.96 46.76 15.00 10.19 12.10 7.16 0.03 6.59 2.17 64 R C C 115.67 8.47 20.45 29.13 119.83 94.51 -102.89 140.33 67.15 15.97 16.88 42.03 17.58 7.67 11.53 5.85 0.05 11.94 3.36 65 I C C 23.03 21.69 14.24 35.52 112.48 -124.98 -89.52 124.63 66.42 22.02 11.56 50.68 11.43 2.95 9.16 3.15 0.02 11.74 10.87 66 I C C 55.11 9.68 22.11 32.30 120.11 -158.31 -93.53 148.92 87.30 1.78 10.92 80.61 4.91 0.90 11.78 0.44 0.00 0.90 0.46 67 P H H 53.66 13.82 16.62 30.55 92.47 -115.68 -57.56 -38.42 7.47 0.11 92.42 2.73 0.98 3.77 90.79 1.63 0.01 0.06 0.03 68 R H H 137.38 3.70 22.73 26.64 91.58 53.89 -63.93 -37.82 3.60 0.04 96.36 0.85 0.37 2.26 94.72 1.77 0.01 0.02 0.01 69 H H H 38.64 16.18 20.02 35.82 92.14 50.06 -66.14 -40.47 1.48 0.03 98.50 0.48 0.17 0.78 96.72 1.83 0.00 0.02 0.00 70 L H H 6.44 24.16 18.06 42.18 91.51 51.06 -64.01 -42.58 0.92 0.01 99.06 0.33 0.10 0.45 98.42 0.70 0.00 0.01 0.00 71 Q H H 76.10 9.56 24.05 33.63 91.38 51.73 -63.24 -41.68 1.02 0.01 98.97 0.25 0.09 0.61 98.58 0.46 0.00 0.01 0.00 72 L H H 49.21 7.00 24.00 31.86 91.49 50.51 -63.87 -42.38 1.14 0.01 98.84 0.23 0.12 0.73 98.35 0.56 0.00 0.01 0.00 73 A H H 6.02 19.10 17.83 37.75 91.73 50.79 -63.95 -41.79 1.71 0.02 98.27 0.40 0.17 1.03 97.59 0.78 0.00 0.01 0.00 74 V H H 26.91 17.86 18.06 35.47 92.72 48.02 -67.26 -38.59 3.99 0.04 95.96 0.51 0.35 2.99 94.77 1.34 0.01 0.02 0.01 75 R H H 144.45 3.89 21.08 25.29 92.93 50.36 -70.38 -29.74 13.72 0.05 86.23 0.64 0.95 12.02 85.23 1.07 0.04 0.02 0.03 76 N C T 85.16 6.19 17.51 24.33 102.37 30.08 -108.61 14.39 65.42 0.22 34.36 12.64 6.73 44.02 34.87 1.50 0.01 0.08 0.14 77 D H H 51.50 16.33 11.39 26.64 100.71 148.69 -68.30 39.57 41.35 0.30 58.35 35.15 3.39 3.40 55.50 2.30 0.00 0.10 0.16 78 E H H 132.86 2.04 18.87 20.77 93.52 92.24 -64.95 -39.02 6.12 0.05 93.83 1.33 0.82 3.89 90.09 3.82 0.01 0.03 0.02 79 E H H 88.76 5.74 19.06 25.49 92.26 50.47 -65.86 -40.22 3.52 0.06 96.42 0.93 0.38 2.20 92.86 3.56 0.01 0.04 0.01 80 L H H 7.31 22.58 12.68 35.35 91.68 50.61 -64.07 -42.03 2.10 0.05 97.84 0.64 0.26 1.17 95.14 2.72 0.00 0.04 0.01 81 N H H 61.97 11.83 17.16 29.34 91.15 53.24 -63.59 -37.92 2.55 0.05 97.40 0.65 0.27 1.57 94.98 2.48 0.01 0.04 0.01 82 K H H 141.55 1.59 21.88 22.27 92.03 52.79 -65.84 -38.60 3.97 0.05 95.98 0.40 0.31 3.29 92.71 3.22 0.02 0.03 0.01 83 L H H 44.50 14.35 17.71 31.99 94.57 45.16 -71.83 -38.58 6.04 0.08 93.89 0.39 0.51 5.34 91.73 1.91 0.05 0.04 0.03 84 L H H 18.29 21.04 14.46 34.93 98.09 38.12 -91.80 -14.88 25.02 0.88 74.11 3.98 4.43 17.96 70.41 2.15 0.22 0.36 0.48 85 G C T 38.22 5.24 20.06 26.15 107.94 -146.29 68.47 -109.89 79.21 2.24 18.55 17.32 14.47 47.47 12.53 5.96 0.04 1.34 0.88 86 R C T 148.92 4.41 20.26 25.37 117.70 1.37 -98.75 125.78 73.14 8.52 18.34 22.23 16.56 35.78 9.76 7.59 0.12 6.39 1.57 87 V C C 31.88 20.07 12.54 31.75 119.69 129.86 -108.32 130.84 69.64 18.37 11.98 57.14 8.25 3.45 8.65 3.97 0.02 16.03 2.49 88 T C C 70.02 6.80 22.56 29.83 119.23 -162.32 -109.14 131.15 47.41 42.21 10.38 40.10 3.64 2.13 8.43 2.72 0.02 37.73 5.22 89 I E E 47.38 18.08 14.30 31.57 113.62 -157.20 -97.48 121.79 37.17 46.37 16.47 27.98 5.21 3.70 12.62 5.20 0.11 39.89 5.28 90 A C E 50.12 9.66 15.97 26.09 110.53 89.97 -86.71 138.49 41.51 29.38 29.11 22.98 8.51 12.72 11.10 16.53 0.21 25.16 2.80 91 Q C T 132.48 3.58 17.32 21.29 102.01 7.63 -67.87 44.19 53.93 14.50 31.56 12.15 11.13 32.71 8.18 21.34 0.39 11.43 2.68 92 G C T 42.68 7.23 16.90 24.73 103.30 -32.31 85.11 1.87 70.98 3.78 25.24 11.28 13.85 46.34 4.67 19.92 0.05 2.61 1.28 93 G C T 24.71 12.88 16.83 29.57 122.03 -27.52 115.53 12.55 76.19 17.62 6.19 25.48 21.29 31.16 1.55 4.21 0.03 13.92 2.36 94 V C C 50.29 14.42 18.04 32.39 123.21 -89.47 -112.83 138.42 48.45 48.31 3.24 32.20 12.02 2.99 2.14 1.51 0.10 25.09 23.95 95 L C C 31.08 18.23 15.23 33.44 111.49 -128.54 -89.41 121.95 80.73 15.86 3.42 70.58 7.53 2.01 2.31 1.29 0.00 13.12 3.16 96 P C T 70.15 7.75 18.40 26.99 108.04 -128.13 -66.15 140.51 73.10 7.76 19.14 17.63 10.89 44.57 12.07 7.14 0.11 6.03 1.56 97 N C T 96.07 5.28 19.70 25.69 94.87 15.88 59.04 34.04 76.67 2.94 20.38 21.83 8.73 46.22 13.69 6.57 0.03 2.00 0.92 98 I H H 15.83 22.33 12.06 33.89 94.53 138.76 -68.86 -34.89 28.06 2.98 68.96 16.04 4.27 8.75 46.55 21.38 0.06 2.34 0.62 99 Q H H 89.86 11.69 15.70 27.62 91.65 64.17 -62.57 -34.99 11.72 1.53 86.75 3.93 1.78 5.72 54.97 31.96 0.03 1.44 0.17 100 S H H 78.71 2.06 18.72 20.52 91.95 56.38 -70.22 -24.46 9.14 0.87 89.99 2.13 1.18 5.04 55.29 35.38 0.02 0.86 0.08 101 V H H 54.29 12.02 14.94 27.36 96.04 50.86 -80.87 -24.77 16.73 1.31 81.96 3.03 2.24 10.21 52.74 30.34 0.09 1.15 0.21 102 L H H 44.40 17.30 12.39 28.71 99.58 54.82 -89.61 -14.67 41.67 5.90 52.43 10.65 9.62 22.98 33.75 16.05 0.90 3.37 2.67 103 L C C 79.31 8.95 12.67 22.85 114.73 83.20 -92.93 127.32 97.68 2.07 0.25 80.55 16.55 0.79 0.15 0.08 0.00 1.05 0.84 104 P C C 93.80 4.23 15.47 21.11 110.06 -102.50 -66.91 140.98 99.94 0.05 0.01 99.80 0.11 0.05 0.01 0.00 0.00 0.02 0.01