# 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 105.81 8.19 14.33 23.45 113.20 -157.14 -86.60 130.82 99.82 0.16 0.02 99.70 0.15 0.04 0.01 0.00 0.00 0.07 0.03 1 A C C 58.18 8.87 13.30 23.18 112.88 -143.59 -86.73 134.44 96.25 3.26 0.49 94.59 1.22 0.74 0.19 0.17 0.00 1.29 1.80 2 V C C 88.44 6.75 16.95 24.95 118.84 -140.60 -102.70 134.20 95.21 3.79 1.00 74.91 18.58 1.81 0.34 0.60 0.00 2.02 1.73 3 P C C 30.08 19.22 11.69 30.69 114.36 -112.16 -70.49 142.59 92.06 6.11 1.83 81.66 7.74 2.40 0.55 1.26 0.00 3.18 3.21 4 Q C C 87.00 6.13 21.93 28.53 108.85 -143.38 -99.40 107.78 85.33 13.61 1.05 79.14 3.83 1.24 0.42 0.51 0.00 4.61 10.23 5 F C T 49.98 19.66 13.62 32.83 94.20 -169.38 -68.23 -23.46 96.90 1.97 1.13 8.83 13.41 74.65 0.13 1.08 0.00 1.30 0.60 6 H C T 106.45 8.70 18.25 27.43 94.54 58.67 -84.22 -9.25 98.56 0.66 0.78 4.57 20.94 73.00 0.06 0.79 0.00 0.44 0.19 7 R C C 106.28 6.13 18.63 25.86 110.33 56.33 -118.90 91.56 93.05 6.71 0.24 51.19 41.64 0.74 0.06 0.19 0.00 2.89 3.29 8 P C T 34.04 19.61 11.57 30.65 94.80 -173.02 -65.08 -20.86 73.11 1.90 24.99 15.55 6.51 47.22 0.52 28.56 0.00 1.23 0.40 9 S C T 75.44 5.34 19.81 26.09 92.67 68.38 -78.13 -12.86 71.37 2.52 26.10 6.30 9.26 52.37 0.55 29.20 0.00 1.87 0.45 10 T C G 62.04 8.23 19.71 28.57 102.49 57.19 -99.94 6.03 59.93 8.93 31.14 24.22 14.48 21.65 1.08 30.80 0.01 5.79 1.97 11 V C C 11.19 23.39 12.14 35.38 116.62 116.30 -96.83 124.50 80.59 19.00 0.41 66.05 13.72 0.33 0.26 0.19 0.00 6.63 12.84 12 T C C 55.92 5.96 25.46 31.27 130.06 -170.18 -117.83 161.00 93.73 6.05 0.22 91.64 2.51 0.10 0.18 0.04 0.00 2.50 3.02 13 T H H 35.47 18.83 14.53 32.86 91.67 -107.23 -59.26 -37.47 5.49 0.04 94.47 0.69 0.84 4.15 91.84 2.42 0.02 0.02 0.02 14 D H H 98.95 2.07 21.78 23.10 91.59 54.21 -63.99 -39.19 3.90 0.02 96.08 0.32 0.38 3.28 92.95 3.03 0.02 0.01 0.01 15 S H H 30.71 10.05 18.25 29.51 92.31 50.06 -66.35 -39.30 2.69 0.04 97.27 0.41 0.26 2.01 93.32 3.95 0.01 0.02 0.01 16 V H H 3.19 25.93 12.44 38.51 91.68 49.99 -66.30 -39.40 2.82 0.06 97.12 0.45 0.30 2.06 93.22 3.91 0.01 0.04 0.02 17 R H H 125.50 9.68 18.17 28.40 91.41 58.95 -64.44 -29.82 26.17 0.07 73.76 0.79 0.91 25.03 70.18 2.97 0.04 0.03 0.05 18 A C T 83.29 2.00 20.35 21.68 93.28 54.95 -81.22 -11.74 59.20 0.04 40.76 1.14 1.47 56.08 39.14 2.12 0.01 0.01 0.04 19 L C S 40.67 17.29 11.63 28.46 116.70 92.27 -83.45 140.71 97.15 0.64 2.21 28.32 66.95 1.50 2.26 0.20 0.00 0.13 0.63 20 G C C 31.06 4.67 23.05 27.51 122.77 -114.47 -75.25 164.88 98.48 0.85 0.67 98.09 0.42 0.17 0.56 0.04 0.00 0.19 0.52 21 M H H 50.68 19.74 14.92 33.79 91.72 -100.16 -59.20 -38.05 2.19 0.01 97.80 0.47 0.27 1.28 97.52 0.45 0.00 0.00 0.00 22 R H H 132.12 6.14 21.63 28.59 91.49 54.80 -62.94 -39.64 0.86 0.00 99.14 0.10 0.06 0.58 98.84 0.41 0.00 0.00 0.00 23 G H H 20.30 8.13 21.28 30.67 91.35 50.76 -64.71 -40.53 0.49 0.00 99.50 0.11 0.04 0.29 99.03 0.52 0.00 0.00 0.00 24 L H H 4.43 24.43 18.19 42.69 91.33 50.40 -63.70 -43.70 0.14 0.00 99.85 0.02 0.01 0.07 99.81 0.08 0.00 0.00 0.00 25 V H H 23.40 18.58 21.47 39.40 91.27 49.81 -62.87 -42.90 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 26 L H H 80.31 4.82 25.68 30.56 91.20 50.10 -63.52 -42.14 0.19 0.00 99.81 0.02 0.01 0.13 99.78 0.07 0.00 0.00 0.00 27 A H H 19.16 14.24 21.78 36.37 91.68 49.71 -64.14 -42.31 0.54 0.00 99.46 0.04 0.03 0.41 99.29 0.22 0.00 0.00 0.00 28 T H H 3.74 25.04 18.32 43.32 91.43 49.11 -64.69 -40.97 1.97 0.00 98.03 0.13 0.10 1.64 97.38 0.75 0.00 0.00 0.00 29 N H H 60.22 12.78 20.83 33.45 91.28 52.99 -69.57 -27.42 15.64 0.04 84.33 0.73 0.73 13.92 83.26 1.30 0.02 0.01 0.02 30 N C H 96.40 4.42 22.64 27.30 95.03 52.81 -88.44 -8.28 52.87 0.24 46.89 4.54 4.09 42.61 46.01 2.45 0.03 0.09 0.17 31 S C C 18.72 19.95 11.99 31.17 110.43 101.86 -76.46 128.94 64.97 1.81 33.22 35.20 18.98 12.11 24.76 7.07 0.04 0.63 1.21 32 Q H H 111.41 5.35 20.85 26.71 100.35 -152.91 -73.80 -22.33 48.70 1.66 49.64 21.06 11.17 16.71 27.16 22.16 0.06 0.82 0.85 33 F H H 78.22 11.98 17.07 29.24 102.10 62.66 -75.24 18.41 45.21 2.70 52.08 20.22 9.16 16.22 26.30 25.40 0.11 1.47 1.12 34 I H C 45.69 16.24 14.55 30.31 102.52 60.91 -82.55 0.60 47.35 4.45 48.20 25.03 9.04 13.81 24.78 22.93 0.10 2.52 1.79 35 M C C 88.32 9.73 14.79 25.12 104.67 63.68 -91.61 20.96 62.34 4.75 32.91 30.89 15.61 17.00 18.12 13.41 0.16 2.16 2.65 36 D C C 75.13 6.01 13.47 20.94 112.09 100.08 -96.22 111.70 89.81 3.32 6.88 56.50 24.13 8.79 3.56 3.12 0.00 1.17 2.73 37 N C T 118.49 4.27 11.29 17.31 95.47 -135.80 -68.56 -11.22 96.28 0.41 3.30 10.88 15.51 69.92 0.72 2.50 0.00 0.23 0.23 38 N C T 131.74 1.03 13.63 14.11 97.45 57.76 -90.98 -0.07 97.37 0.50 2.14 13.01 16.88 67.42 0.36 1.82 0.00 0.30 0.22 39 H C S 80.22 9.10 9.18 19.75 117.50 91.31 -97.50 131.42 95.49 3.61 0.89 45.13 48.68 1.91 0.33 0.47 0.00 1.21 2.28 40 P C C 95.14 3.49 16.16 20.42 112.21 -115.94 -70.82 144.47 96.88 1.66 1.46 76.29 16.78 3.75 0.71 0.66 0.00 0.74 1.07 41 H C C 74.78 14.27 10.78 24.78 117.25 -124.51 -88.72 137.26 91.79 1.36 6.85 72.29 15.29 3.73 5.84 1.35 0.00 0.50 1.00 42 P C C 64.08 8.29 14.44 24.09 107.69 -108.54 -67.25 150.59 60.69 0.90 38.41 43.11 6.37 10.59 34.78 4.26 0.00 0.37 0.52 43 Q H H 134.83 2.79 17.12 20.76 95.77 -106.12 -67.96 -28.21 26.88 0.30 72.82 9.71 5.14 13.21 67.03 4.58 0.03 0.14 0.16 44 G H H 32.39 7.82 18.07 26.48 97.02 45.98 -62.15 -37.99 22.80 0.35 76.85 9.33 4.35 10.49 71.06 4.39 0.03 0.17 0.17 45 T H H 26.17 18.40 16.05 33.64 94.23 52.42 -67.92 -37.65 11.48 0.28 88.24 6.71 1.97 3.81 84.81 2.44 0.01 0.14 0.11 46 Q H H 74.65 12.48 21.15 33.05 92.31 54.28 -63.52 -41.21 4.59 0.07 95.34 2.33 0.75 1.81 94.18 0.87 0.00 0.03 0.03 47 G H H 28.82 4.92 24.11 29.36 91.49 51.08 -63.79 -41.43 3.07 0.04 96.89 1.34 0.40 1.36 96.30 0.55 0.00 0.02 0.01 48 A H H 15.72 14.73 21.46 36.74 91.71 51.23 -63.56 -42.50 1.46 0.02 98.52 0.63 0.16 0.66 98.20 0.33 0.00 0.01 0.01 49 V H H 15.67 21.13 21.94 42.22 91.24 50.62 -63.22 -42.77 0.57 0.01 99.43 0.24 0.05 0.24 99.36 0.10 0.00 0.00 0.00 50 R H H 89.00 12.87 25.48 37.74 91.16 51.07 -63.06 -42.14 0.24 0.00 99.76 0.07 0.02 0.11 99.76 0.03 0.00 0.00 0.00 51 E H H 74.72 9.17 27.00 36.58 91.55 49.62 -64.60 -41.84 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 52 F H H 21.54 20.92 24.36 44.32 91.72 49.42 -64.15 -43.58 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 53 L H H 12.29 22.68 24.77 46.35 91.56 48.78 -64.31 -42.75 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 54 R H H 89.18 11.11 27.94 39.43 91.63 49.96 -63.57 -42.27 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 G H H 15.04 12.58 26.62 39.75 91.72 50.05 -64.10 -42.59 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.01 0.00 0.00 0.00 56 Q H H 20.54 20.81 26.69 46.44 91.78 49.20 -64.92 -42.28 0.22 0.00 99.78 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 57 A H H 12.73 19.59 25.27 44.27 91.58 50.58 -63.81 -42.21 0.31 0.00 99.69 0.03 0.01 0.21 99.73 0.02 0.00 0.00 0.00 58 A H H 41.66 7.67 28.41 37.27 91.59 50.55 -63.41 -42.26 0.41 0.00 99.59 0.03 0.02 0.27 99.64 0.04 0.00 0.00 0.00 59 A H H 19.61 14.10 25.36 39.80 91.52 50.28 -64.18 -42.46 0.41 0.00 99.59 0.04 0.02 0.27 99.63 0.05 0.00 0.00 0.00 60 L H H 15.69 22.00 23.32 44.35 91.81 50.03 -64.87 -41.87 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 61 T H H 41.78 12.95 24.35 37.06 91.49 50.71 -63.54 -42.42 0.30 0.00 99.70 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 62 D H H 74.16 4.98 26.63 31.62 91.62 49.07 -64.52 -41.43 0.45 0.00 99.55 0.06 0.03 0.28 99.56 0.08 0.00 0.00 0.00 63 L H H 24.18 14.96 20.54 35.97 91.99 50.33 -64.26 -42.24 0.63 0.00 99.37 0.09 0.04 0.41 99.27 0.20 0.00 0.00 0.00 64 G H H 12.93 16.65 17.38 34.06 92.10 51.73 -63.33 -41.58 1.71 0.01 98.28 0.20 0.12 1.24 97.95 0.48 0.00 0.00 0.00 65 L H H 95.98 4.24 20.49 25.02 92.13 49.74 -66.12 -38.44 4.68 0.02 95.29 0.41 0.35 3.79 94.53 0.89 0.01 0.01 0.01 66 A H H 62.23 4.28 18.57 23.19 92.89 50.52 -70.06 -29.82 14.26 0.08 85.67 1.03 1.22 12.01 84.43 1.19 0.05 0.03 0.04 67 H H H 59.43 12.55 12.47 25.60 101.03 44.72 -101.63 11.30 48.61 1.01 50.37 10.64 6.11 32.31 46.43 3.28 0.13 0.42 0.68 68 A C T 61.61 8.24 12.43 21.78 98.07 103.65 -64.39 -19.43 65.17 1.62 33.21 9.26 5.51 49.01 23.88 10.25 0.10 0.74 1.24 69 N C T 129.69 1.40 15.35 16.48 96.20 29.92 -75.88 9.22 72.21 0.47 27.32 4.88 7.02 59.58 17.02 10.83 0.04 0.22 0.42 70 N C T 94.82 7.38 11.39 20.06 101.73 -98.07 -16.55 38.82 77.19 1.63 21.17 21.02 18.78 38.37 9.75 10.24 0.03 0.70 1.10 71 T C S 89.25 4.25 14.03 19.52 99.34 134.60 -87.09 -20.58 89.24 5.09 5.67 22.13 41.98 25.63 2.68 2.54 0.02 2.36 2.66 72 F C S 83.79 11.51 10.89 22.97 118.36 52.23 -113.09 128.86 88.27 9.63 2.11 28.99 52.14 7.29 0.91 1.08 0.01 4.18 5.40 73 T C C 94.17 3.16 18.83 22.67 115.61 -137.82 -88.04 136.43 96.83 2.94 0.23 83.96 12.20 0.85 0.07 0.17 0.00 2.02 0.74 74 P C C 61.29 15.41 11.71 26.64 113.89 -112.41 -68.87 142.14 94.87 4.57 0.56 79.20 14.07 1.40 0.22 0.35 0.00 2.47 2.30 75 Q C C 89.05 7.60 17.83 26.51 123.82 -156.04 -111.85 140.50 87.00 12.29 0.70 69.04 16.68 0.84 0.35 0.37 0.00 5.42 7.29 76 P C C 77.46 8.15 17.69 26.58 112.84 -104.20 -66.41 144.95 83.04 7.05 9.91 60.87 11.33 10.40 2.07 8.35 0.00 4.55 2.43 77 M C C 62.99 15.80 14.15 29.28 100.11 -132.30 -84.70 -17.64 83.40 5.37 11.23 36.35 24.65 22.98 1.83 9.08 0.02 2.65 2.45 78 F C C 81.88 12.48 14.07 26.63 114.82 40.49 -105.95 122.63 75.11 14.49 10.41 38.69 20.54 16.25 2.46 7.62 0.07 5.90 8.47 79 A C C 53.37 7.80 13.36 22.40 110.41 -130.91 -88.65 122.63 83.44 11.03 5.54 53.53 20.68 8.78 1.50 3.99 0.01 4.96 6.55 80 G C T 52.56 3.86 13.11 18.47 103.65 -119.05 -65.97 -32.57 95.09 1.72 3.19 14.33 25.01 55.84 0.54 2.64 0.00 1.00 0.65 81 D C T 120.73 1.74 14.29 16.07 100.48 24.30 -93.05 5.27 95.40 1.06 3.54 17.72 25.94 51.83 0.70 2.76 0.00 0.57 0.47 82 A C C 35.99 10.42 10.30 22.16 114.87 107.77 -91.84 128.16 94.04 2.30 3.65 58.72 33.49 1.85 2.29 1.08 0.00 0.64 1.93 83 P H G 79.73 6.26 15.12 22.74 93.97 -138.81 -63.26 -26.79 36.43 0.62 62.95 9.57 4.87 21.11 22.34 41.45 0.02 0.34 0.32 84 A H G 41.05 11.97 13.39 25.93 93.88 62.18 -72.13 -19.85 21.66 0.34 78.00 4.03 2.52 13.47 27.24 52.40 0.02 0.21 0.12 85 A H G 47.29 10.00 15.04 25.97 93.37 70.91 -66.84 -26.97 14.09 0.34 85.57 3.32 2.04 8.08 29.73 56.50 0.01 0.23 0.08 86 W H G 133.29 7.85 17.19 25.59 95.34 55.69 -78.78 -16.79 23.63 1.22 75.16 5.23 3.97 13.81 27.16 48.59 0.08 0.75 0.41 87 L H H 64.89 12.10 15.65 27.98 99.61 70.69 -86.39 -1.57 46.59 6.23 47.18 18.91 15.42 13.74 23.21 22.06 0.49 2.53 3.62 88 R C C 91.09 11.91 15.46 27.67 115.61 106.57 -86.76 134.69 61.19 4.12 34.69 35.71 18.49 8.55 23.33 10.01 0.09 1.93 1.89 89 P H H 61.42 9.65 16.03 26.52 104.67 -101.94 -68.56 128.18 41.91 1.97 56.12 15.96 6.21 19.39 28.18 28.18 0.09 1.18 0.79 90 A H G 59.58 8.96 17.11 26.35 98.00 -112.50 -74.42 -20.66 37.62 2.24 60.14 8.62 6.51 21.48 29.27 31.49 0.33 1.34 0.95 91 F H G 86.59 11.13 16.01 27.29 103.51 52.55 -92.01 7.83 43.83 3.92 52.25 8.68 10.69 24.24 24.36 27.03 0.92 2.01 2.06 92 G C T 27.02 9.75 17.44 27.83 108.78 -33.13 65.28 -26.18 71.62 3.73 24.65 24.25 12.51 35.65 16.62 7.30 0.12 1.98 1.58 93 L C C 53.93 14.78 14.67 29.06 97.05 70.91 -69.71 -29.39 47.65 5.07 47.28 29.51 8.13 10.55 28.89 18.06 0.09 2.95 1.83 94 R H H 121.34 9.34 16.87 26.50 95.88 67.11 -69.19 -28.13 32.17 6.02 61.82 15.40 6.54 11.48 31.66 29.15 0.20 4.06 1.51 95 R H H 130.08 7.18 17.39 25.04 97.52 56.86 -79.37 -20.32 34.69 5.25 60.05 13.66 6.99 14.70 30.17 29.24 0.28 3.52 1.44 96 T H H 59.51 11.24 16.30 27.69 102.77 48.73 -95.30 -10.56 44.57 5.93 49.49 16.06 10.15 19.59 24.31 23.74 0.45 3.54 2.16 97 Y C C 76.21 14.34 13.89 28.19 117.31 72.38 -103.44 129.48 79.13 7.89 12.99 36.30 35.24 8.26 8.38 3.90 0.07 3.16 4.68 98 S C C 48.97 8.91 16.28 26.30 114.00 -135.25 -89.63 128.41 96.27 2.73 1.00 79.62 14.30 2.36 0.37 0.60 0.00 1.61 1.15 99 P C C 69.78 10.56 14.37 25.76 98.88 -133.64 -68.76 -10.50 90.72 2.27 7.01 39.00 20.96 31.30 1.55 5.06 0.00 1.36 0.77 100 F C C 118.75 7.55 15.16 23.45 106.21 70.44 -89.27 34.31 82.89 8.44 8.67 33.45 21.72 29.06 1.78 6.33 0.01 5.61 2.03 101 V C C 78.30 8.14 13.96 23.21 114.32 133.65 -95.89 122.69 74.71 17.72 7.57 51.47 15.95 6.89 2.17 5.67 0.01 13.38 4.46 102 V C C 75.27 9.63 11.94 22.68 117.27 -159.56 -97.16 132.89 75.25 22.10 2.65 64.93 6.94 2.27 1.23 1.49 0.00 18.10 5.03 103 R C C 145.63 4.81 13.20 19.97 119.32 -152.31 -102.03 137.19 80.06 18.83 1.11 71.01 6.98 1.24 0.53 0.63 0.00 12.97 6.63 104 E C C 119.85 5.38 11.94 19.07 114.62 -109.34 -77.07 139.16 95.88 3.89 0.23 88.45 7.12 0.52 0.08 0.13 0.00 2.86 0.84 105 P C C 89.27 5.60 10.68 18.08 110.87 -106.00 -67.44 142.73 97.58 1.48 0.94 86.62 6.35 4.66 0.25 0.65 0.00 0.92 0.54 106 S C C 84.41 3.15 10.73 15.63 109.49 -145.43 -92.85 115.08 97.53 1.62 0.85 74.71 17.38 5.20 0.22 0.69 0.00 0.71 1.10 107 T C C 85.08 4.46 9.20 15.62 117.28 -140.92 -96.96 135.69 98.27 1.28 0.45 73.54 23.30 1.39 0.13 0.30 0.00 0.50 0.84 108 P C C 101.75 2.89 9.56 14.36 109.79 -104.51 -66.20 143.71 97.31 0.71 1.98 53.69 12.53 30.93 0.32 1.83 0.00 0.40 0.31 109 G C C 59.31 1.96 9.37 12.78 108.05 -58.27 -31.80 63.36 97.12 1.32 1.57 49.57 16.36 31.02 0.23 1.55 0.00 0.66 0.61 110 T C C 97.80 2.93 8.20 13.05 115.03 -66.68 -94.93 129.21 98.31 1.40 0.29 89.88 7.20 1.28 0.06 0.19 0.00 0.60 0.79 111 P C C 103.14 2.72 11.32 15.70 110.47 -107.76 -69.70 145.15 99.87 0.11 0.02 99.64 0.21 0.08 0.01 0.00 0.00 0.05 0.02