# 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 V C C 89.79 5.89 15.51 22.77 119.41 -157.26 -103.85 135.61 99.56 0.43 0.01 99.59 0.10 0.02 0.01 0.00 0.00 0.25 0.03 1 K C C 125.11 6.98 11.84 20.51 114.81 -138.47 -88.23 131.33 78.52 19.87 1.62 76.97 1.33 0.97 0.95 0.51 0.00 11.60 7.66 2 T C C 77.85 6.14 12.80 20.40 117.83 -172.28 -115.47 146.34 77.42 18.66 3.91 61.37 10.11 5.02 1.86 2.21 0.01 13.28 6.15 3 G C C 45.41 5.87 14.88 21.64 103.98 -103.40 80.79 4.21 78.16 15.29 6.54 48.36 21.34 8.97 3.15 3.47 0.02 10.84 3.86 4 I C C 73.42 9.78 12.31 23.18 116.98 115.38 -94.87 135.51 68.84 19.45 11.71 45.76 14.91 7.64 6.90 5.16 0.11 11.93 7.59 5 A C C 56.38 7.99 13.62 22.84 104.87 -149.26 -86.40 2.30 66.87 18.97 14.16 42.59 13.75 10.28 7.93 6.31 0.10 11.94 7.09 6 I C S 95.64 6.05 13.27 20.44 123.50 39.00 -123.99 143.00 64.26 17.12 18.62 23.72 24.04 18.13 8.34 8.95 0.59 8.84 7.39 7 G C T 47.79 3.14 15.14 18.93 115.08 13.37 73.36 -142.03 67.19 4.50 28.31 14.43 24.31 30.19 5.74 20.52 0.09 2.44 2.27 8 L C T 118.01 4.17 13.51 18.58 94.54 -19.17 -73.53 -20.10 66.81 3.09 30.10 7.23 14.36 45.12 4.49 25.38 0.07 1.83 1.52 9 N C T 66.89 9.80 10.24 21.01 97.91 53.90 -98.98 12.44 66.53 7.55 25.92 13.60 14.21 39.38 4.07 21.41 0.11 4.50 2.72 10 K C T 135.05 4.54 11.10 18.09 109.93 134.27 -62.92 127.61 87.39 6.25 6.36 7.92 8.67 70.64 1.70 4.49 0.02 4.04 2.51 11 G C T 61.09 1.49 14.27 15.74 95.02 14.63 83.71 -0.62 92.70 3.94 3.36 7.98 12.67 71.85 0.48 3.10 0.00 3.25 0.67 12 K C C 104.73 6.02 11.19 19.21 118.25 121.73 -87.02 141.05 81.88 16.26 1.85 57.71 21.03 3.39 0.52 1.51 0.00 12.05 3.79 13 K C C 147.30 2.58 14.77 18.62 113.57 -112.32 -75.52 135.78 50.30 48.74 0.96 45.07 2.98 0.72 0.65 0.40 0.00 26.53 23.65 14 V C C 65.67 12.66 8.98 21.59 118.53 -152.48 -101.43 135.74 75.92 23.23 0.84 65.27 8.88 1.45 0.38 0.54 0.00 18.13 5.36 15 T C C 81.44 4.74 13.09 19.24 118.07 -136.68 -100.23 139.60 83.20 16.04 0.77 69.17 12.00 1.74 0.27 0.53 0.00 13.32 2.99 16 S C C 82.40 2.94 12.85 17.19 112.78 -105.65 -71.26 143.94 87.98 10.90 1.11 73.39 11.36 2.89 0.33 0.82 0.00 9.15 2.06 17 M C C 111.16 7.36 8.22 16.91 113.30 -122.95 -84.59 129.46 95.67 3.79 0.54 79.38 14.95 1.32 0.19 0.34 0.00 2.13 1.69 18 T C C 103.60 2.03 11.14 14.57 116.73 -152.95 -100.53 134.09 98.42 1.33 0.25 81.76 15.96 0.82 0.09 0.14 0.00 0.72 0.52 19 P C C 102.16 3.40 9.83 15.17 113.74 -106.67 -70.16 145.74 98.63 0.98 0.40 86.07 11.57 1.01 0.14 0.20 0.00 0.45 0.56 20 A C C 75.81 3.62 10.16 15.75 115.93 -108.25 -74.95 146.73 98.99 0.50 0.51 88.51 10.06 0.51 0.25 0.17 0.00 0.19 0.31 21 P C C 90.14 4.71 9.98 16.66 113.52 -103.06 -65.26 147.52 96.97 0.70 2.33 89.48 6.27 1.48 1.12 0.88 0.00 0.27 0.50 22 K C C 131.24 4.03 10.38 16.14 114.51 -115.45 -82.26 140.01 92.76 1.64 5.60 85.68 5.62 1.72 2.78 2.24 0.00 0.55 1.41 23 I C G 113.75 4.30 10.77 16.69 97.84 -121.68 -67.43 -27.95 52.81 1.54 45.65 28.65 8.90 15.11 8.63 37.23 0.00 0.84 0.65 24 S C G 67.44 5.47 10.96 17.90 98.62 62.68 -81.34 -8.72 50.92 1.29 47.79 21.56 9.81 19.63 9.10 38.63 0.00 0.71 0.54 25 Y C G 139.05 5.82 11.76 18.81 100.52 62.18 -92.65 9.78 53.23 1.63 45.13 27.39 12.71 13.42 9.85 35.06 0.01 0.84 0.74 26 K C C 112.61 6.48 11.39 19.42 115.18 103.19 -89.51 134.36 76.47 2.34 21.19 50.10 16.27 9.89 10.04 11.03 0.01 0.99 1.67 27 K C C 144.15 3.49 12.66 17.56 112.21 -134.66 -87.39 131.08 80.79 2.66 16.55 35.12 17.07 29.49 8.66 6.86 0.02 1.19 1.58 28 G C T 42.50 6.35 12.57 20.01 115.74 18.23 87.96 -167.46 83.29 1.89 14.82 28.80 22.93 32.47 6.20 7.62 0.01 0.85 1.12 29 A C C 66.74 5.84 12.39 19.53 111.72 -69.63 -83.35 135.03 81.69 3.51 14.79 56.80 13.98 10.49 7.77 7.05 0.01 1.62 2.27 30 A C C 67.93 6.76 11.50 19.58 105.28 -134.79 -80.26 56.02 84.31 2.86 12.83 57.13 17.32 9.53 7.89 5.01 0.00 1.24 1.88 31 S C C 52.27 5.86 11.76 19.11 122.40 -110.60 -94.85 159.88 87.36 2.18 10.46 58.87 22.56 5.67 7.68 2.86 0.00 0.75 1.62 32 N H H 125.88 1.69 13.41 15.79 93.19 -108.34 -63.39 -31.66 42.02 0.46 57.52 7.09 11.57 23.63 45.24 11.80 0.14 0.19 0.33 33 R H H 146.17 3.21 14.10 18.21 93.64 54.29 -69.56 -33.46 43.28 0.45 56.27 5.20 7.35 30.03 44.70 12.05 0.14 0.22 0.30 34 T H H 38.63 12.11 11.14 23.86 97.84 47.72 -83.16 -20.82 38.25 0.62 61.13 11.15 5.18 22.32 51.16 9.48 0.07 0.32 0.33 35 K H H 111.66 5.60 15.20 22.23 92.78 72.23 -62.55 -41.52 5.19 0.07 94.74 2.33 0.90 1.81 94.17 0.74 0.00 0.03 0.02 36 F H H 127.59 2.07 18.60 20.00 92.51 50.40 -65.08 -41.26 2.16 0.04 97.81 0.70 0.27 1.13 97.30 0.56 0.00 0.02 0.01 37 V H H 48.14 10.33 17.22 28.23 92.25 48.78 -65.66 -41.93 0.93 0.02 99.05 0.28 0.11 0.49 98.69 0.41 0.00 0.01 0.00 38 R H H 63.22 14.52 16.04 30.54 91.73 51.28 -63.73 -41.62 0.56 0.01 99.44 0.13 0.06 0.30 99.25 0.26 0.00 0.00 0.00 39 S H H 52.37 4.12 20.04 24.51 91.73 51.23 -64.31 -40.61 1.02 0.01 98.97 0.17 0.08 0.66 98.75 0.33 0.00 0.00 0.00 40 L H H 71.13 5.05 19.78 25.32 92.01 49.86 -65.14 -41.97 1.63 0.02 98.35 0.21 0.15 1.19 98.08 0.35 0.00 0.01 0.00 41 V H H 25.14 15.20 14.96 30.97 92.33 49.72 -65.49 -42.18 3.23 0.05 96.73 0.43 0.41 2.34 96.41 0.37 0.01 0.02 0.01 42 R H H 105.15 10.13 16.18 26.70 92.13 51.28 -64.10 -40.62 4.39 0.06 95.55 0.67 0.51 3.09 95.03 0.63 0.02 0.02 0.02 43 E H H 133.79 1.91 18.31 19.88 93.86 46.72 -69.33 -38.24 7.07 0.06 92.87 0.57 0.65 6.03 91.82 0.85 0.04 0.03 0.02 44 I H H 93.50 6.07 16.52 22.99 99.06 36.61 -85.22 -37.21 17.08 0.08 82.84 0.63 1.50 15.22 81.56 0.93 0.09 0.02 0.05 45 A H H 39.06 11.55 14.57 26.63 100.49 25.29 -98.19 -14.34 29.39 0.24 70.36 2.32 6.76 20.42 69.29 0.86 0.11 0.06 0.18 46 G C S 39.32 5.22 18.68 24.80 98.48 -119.04 82.33 5.35 98.73 0.53 0.75 41.89 44.88 12.01 0.31 0.41 0.00 0.23 0.27 47 L C C 51.18 13.51 14.76 28.74 124.16 88.52 -108.08 146.51 96.49 2.75 0.76 67.63 26.47 1.93 0.43 0.30 0.00 0.83 2.43 48 S C C 27.54 10.62 17.67 29.60 119.73 -120.44 -78.72 159.81 98.88 0.24 0.88 92.62 5.80 0.38 0.88 0.08 0.00 0.07 0.17 49 P H H 63.00 8.51 18.79 28.50 91.57 -108.49 -58.43 -36.64 9.48 0.03 90.50 1.37 1.41 6.31 89.58 1.30 0.01 0.01 0.02 50 Y H H 80.93 12.55 19.76 32.22 92.29 54.05 -65.05 -39.05 6.31 0.02 93.68 0.72 0.58 4.79 92.39 1.48 0.01 0.01 0.01 51 E H H 45.85 15.88 18.67 34.16 92.49 50.66 -65.98 -40.48 2.42 0.01 97.57 0.61 0.24 1.42 96.43 1.29 0.00 0.00 0.00 52 R H H 100.83 9.31 21.27 30.69 91.98 51.10 -64.71 -41.18 0.51 0.00 99.49 0.12 0.04 0.25 99.36 0.22 0.00 0.00 0.00 53 R H H 98.71 8.46 22.72 31.34 91.94 49.89 -64.77 -40.92 0.43 0.00 99.57 0.05 0.02 0.27 99.47 0.18 0.00 0.00 0.00 54 L H H 18.30 18.52 19.17 37.63 92.12 50.42 -64.66 -42.36 0.38 0.00 99.62 0.03 0.01 0.26 99.50 0.20 0.00 0.00 0.00 55 I H H 39.89 13.08 20.70 34.23 91.57 50.55 -63.49 -42.08 0.26 0.00 99.74 0.02 0.01 0.18 99.65 0.14 0.00 0.00 0.00 56 D H H 60.31 5.35 22.86 28.31 91.45 50.93 -63.82 -41.22 0.45 0.00 99.55 0.04 0.02 0.33 99.30 0.30 0.00 0.00 0.00 57 L H H 32.05 11.71 18.14 31.23 91.67 50.75 -64.34 -41.58 0.78 0.00 99.22 0.05 0.04 0.62 98.39 0.90 0.00 0.00 0.00 58 I H H 34.43 15.71 15.51 31.44 92.16 49.98 -65.87 -39.51 2.54 0.00 97.46 0.22 0.18 1.94 96.32 1.32 0.00 0.00 0.00 59 R H H 142.06 4.57 18.03 23.45 92.17 50.38 -67.64 -32.45 11.58 0.02 88.40 0.59 0.72 10.07 87.55 1.03 0.02 0.01 0.01 60 N H H 101.62 3.74 15.82 20.14 99.54 42.95 -93.99 -3.13 42.26 0.14 57.60 2.97 4.69 33.22 57.60 1.34 0.04 0.04 0.10 61 S C T 52.09 9.47 11.64 21.85 98.05 65.95 -82.57 -6.78 85.54 0.41 14.06 22.56 19.46 42.83 12.82 1.85 0.00 0.14 0.33 62 G C C 59.51 1.79 16.51 18.65 96.07 -127.45 74.85 9.94 98.06 0.30 1.64 42.39 24.35 31.51 0.62 0.83 0.00 0.13 0.18 63 E C C 67.70 10.65 10.86 22.90 108.22 135.88 -83.35 111.25 97.35 0.42 2.23 88.58 7.42 1.42 1.65 0.43 0.00 0.12 0.39 64 K H H 141.26 2.86 16.31 20.56 94.18 -167.27 -66.89 -34.47 11.29 0.05 88.67 4.52 2.98 3.37 88.36 0.73 0.00 0.01 0.02 65 R H H 130.13 3.45 19.68 23.28 91.96 54.45 -64.72 -41.02 2.91 0.01 97.07 0.60 0.36 1.70 96.70 0.62 0.00 0.00 0.00 66 A H H 9.77 17.65 14.45 32.81 91.79 50.15 -64.53 -42.18 1.23 0.01 98.76 0.34 0.13 0.64 98.20 0.68 0.00 0.01 0.00 67 R H H 73.84 13.53 17.54 31.09 91.49 51.75 -62.67 -41.68 0.52 0.00 99.48 0.13 0.05 0.25 99.26 0.30 0.00 0.00 0.00 68 K H H 114.61 2.10 24.27 24.65 91.85 50.06 -63.98 -42.22 0.54 0.01 99.46 0.11 0.04 0.28 99.41 0.15 0.00 0.00 0.00 69 V H H 37.91 8.25 20.64 30.20 91.63 49.25 -64.02 -42.70 0.63 0.01 99.37 0.10 0.05 0.37 99.32 0.17 0.00 0.00 0.00 70 A H H 4.65 20.41 13.45 34.64 91.24 50.94 -62.98 -42.59 0.76 0.01 99.24 0.12 0.07 0.43 99.28 0.10 0.00 0.00 0.00 71 K H H 96.99 8.06 17.34 26.27 91.80 50.73 -64.02 -40.13 0.70 0.00 99.30 0.09 0.05 0.43 99.32 0.11 0.00 0.00 0.00 72 K H H 151.80 1.13 19.30 18.85 92.21 49.27 -66.45 -38.72 1.07 0.00 98.93 0.05 0.05 0.87 98.83 0.19 0.00 0.00 0.00 73 R H H 119.12 6.72 16.73 24.35 97.70 37.84 -81.54 -38.31 3.35 0.00 96.65 0.06 0.14 3.17 96.38 0.24 0.01 0.00 0.00 74 L H H 52.19 12.03 12.58 25.35 101.82 25.52 -106.29 -16.44 10.58 0.03 89.40 0.42 1.29 8.49 89.54 0.22 0.02 0.00 0.02 75 G C S 50.69 2.18 17.53 19.75 98.44 -124.70 78.99 -3.33 99.46 0.18 0.36 30.28 62.71 6.53 0.17 0.13 0.00 0.06 0.11 76 S C S 46.88 3.52 18.09 22.16 136.25 26.41 -146.24 163.10 97.87 1.26 0.87 41.23 55.62 0.83 0.74 0.13 0.00 0.20 1.24 77 F H H 105.84 11.10 12.77 24.48 91.87 -108.57 -61.71 -36.53 5.84 0.01 94.14 0.97 2.50 2.20 93.94 0.38 0.00 0.00 0.01 78 T H H 98.58 1.36 19.42 19.43 91.66 53.20 -63.26 -41.76 1.88 0.00 98.11 0.16 0.22 1.32 97.94 0.36 0.00 0.00 0.00 79 R H H 109.51 4.19 19.42 24.02 92.04 47.20 -66.09 -39.73 0.65 0.00 99.35 0.10 0.06 0.42 99.04 0.40 0.00 0.00 0.00 80 A H H 6.59 18.72 12.33 31.85 91.06 52.11 -62.42 -43.14 0.26 0.00 99.74 0.04 0.02 0.14 99.66 0.13 0.00 0.00 0.00 81 K H H 104.15 6.19 20.85 27.73 91.66 50.77 -63.33 -41.42 0.15 0.00 99.85 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 82 A H H 56.88 2.14 22.62 23.08 91.43 50.01 -63.86 -42.47 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 83 K H H 65.60 11.10 19.49 31.02 92.12 49.08 -65.62 -40.78 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 84 V H H 24.08 16.72 16.35 33.32 91.80 50.58 -63.56 -42.29 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 85 E H H 108.11 2.34 22.80 23.94 91.38 50.16 -63.43 -41.80 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 86 E H H 99.15 3.27 21.64 24.49 91.69 49.40 -64.82 -41.57 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 87 M H H 27.77 16.10 16.10 32.80 92.07 50.26 -64.93 -40.94 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 88 N H H 71.10 8.28 19.07 28.05 91.51 52.37 -63.32 -40.12 0.24 0.00 99.76 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 89 N H H 98.41 1.84 21.40 21.74 92.06 50.11 -65.52 -40.02 0.34 0.00 99.66 0.03 0.02 0.22 99.70 0.04 0.00 0.00 0.00 90 I H H 61.08 7.38 18.39 26.96 92.18 49.72 -64.86 -42.82 0.29 0.00 99.71 0.04 0.02 0.18 99.71 0.06 0.00 0.00 0.00 91 I H H 44.11 10.51 15.87 27.77 92.07 48.86 -64.38 -42.41 0.37 0.00 99.63 0.06 0.03 0.21 99.62 0.09 0.00 0.00 0.00 92 A H H 50.57 3.10 16.79 20.52 91.60 50.70 -63.43 -41.11 0.69 0.00 99.31 0.09 0.04 0.43 99.25 0.19 0.00 0.00 0.00 93 A H H 55.19 2.60 14.96 18.18 91.92 51.00 -65.14 -39.52 2.29 0.00 97.71 0.23 0.15 1.63 97.36 0.63 0.00 0.00 0.00 94 S H H 51.73 6.11 11.61 19.45 92.60 52.19 -67.44 -35.22 8.70 0.01 91.28 0.79 0.61 6.73 90.64 1.22 0.00 0.00 0.01 95 R H H 153.34 2.90 11.06 15.40 93.48 54.36 -70.23 -27.30 29.63 0.15 70.21 4.20 3.04 22.14 68.77 1.68 0.02 0.05 0.10 96 R C H 176.12 1.19 10.51 12.13 97.58 58.41 -78.61 -13.08 61.32 0.44 38.24 28.19 1.64 29.25 38.84 1.64 0.00 0.16 0.28 97 H C C 136.68 3.02 10.24 14.95 105.23 87.55 -83.25 63.33 99.94 0.02 0.04 99.81 0.07 0.08 0.02 0.00 0.00 0.01 0.00