# 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 L C C 62.42 12.39 12.22 24.94 115.99 -159.52 -93.13 133.95 99.70 0.26 0.04 99.68 0.11 0.03 0.03 0.00 0.00 0.12 0.04 1 R C C 135.36 3.12 14.74 18.59 112.78 -125.10 -80.94 140.74 89.38 3.95 6.66 88.22 0.78 0.74 6.78 0.29 0.00 1.41 1.79 2 V H H 80.85 7.05 10.36 18.86 94.74 -119.21 -62.76 -39.36 5.44 0.07 94.49 3.02 0.73 1.65 93.70 0.84 0.00 0.03 0.02 3 E H H 127.67 1.55 14.17 15.60 92.94 53.00 -65.43 -39.11 2.92 0.04 97.04 1.27 0.34 1.23 96.16 0.97 0.00 0.02 0.01 4 E H H 99.45 3.10 14.64 18.53 92.43 50.45 -65.49 -39.83 1.59 0.04 98.37 0.73 0.21 0.67 97.31 1.04 0.00 0.03 0.00 5 V H H 43.91 10.21 12.63 24.32 92.16 50.84 -64.59 -41.36 1.08 0.02 98.89 0.46 0.13 0.45 98.62 0.32 0.00 0.01 0.00 6 Q H H 91.97 4.79 16.42 22.13 91.85 51.31 -63.71 -40.76 0.85 0.01 99.13 0.31 0.08 0.37 99.11 0.12 0.00 0.00 0.00 7 N H H 89.56 2.15 18.53 20.03 92.30 50.07 -64.84 -40.81 1.02 0.01 98.97 0.30 0.09 0.50 99.00 0.10 0.00 0.00 0.00 8 V H H 51.56 8.62 17.24 27.09 92.07 50.01 -64.37 -42.65 0.69 0.01 99.30 0.18 0.06 0.35 99.33 0.08 0.00 0.00 0.00 9 I H H 48.92 11.64 16.66 29.31 91.93 49.88 -63.83 -41.80 0.56 0.00 99.43 0.13 0.04 0.29 99.45 0.09 0.00 0.00 0.00 10 N H H 84.88 3.15 20.29 23.24 91.66 50.34 -64.02 -40.76 1.23 0.01 98.77 0.22 0.08 0.75 98.74 0.21 0.00 0.00 0.00 11 A H H 43.68 5.34 18.79 25.29 91.76 50.66 -64.15 -41.64 2.42 0.01 97.57 0.29 0.14 1.73 97.37 0.45 0.00 0.00 0.00 12 M H H 41.12 15.34 16.51 32.10 92.23 50.83 -65.24 -40.25 3.17 0.03 96.80 0.56 0.28 2.10 95.88 1.15 0.00 0.01 0.01 13 Q H H 77.59 10.56 18.02 28.98 91.82 53.50 -63.76 -39.07 5.00 0.05 94.95 0.95 0.43 3.41 91.74 3.41 0.01 0.03 0.01 14 K H H 123.85 3.00 21.17 24.15 92.46 52.23 -66.51 -38.05 11.12 0.10 88.78 1.31 0.84 8.72 83.80 5.20 0.03 0.06 0.03 15 I H H 50.41 12.51 18.24 31.14 93.52 49.89 -69.36 -36.55 16.21 0.31 83.48 2.46 1.87 11.88 78.74 4.66 0.08 0.18 0.12 16 L H H 28.15 19.25 15.51 34.28 95.65 58.72 -77.91 -11.68 46.62 2.95 50.43 20.18 6.56 20.55 46.01 3.79 0.09 1.43 1.39 17 E C C 111.63 6.32 21.75 28.60 97.03 88.23 -80.19 -4.71 75.16 3.89 20.95 36.96 8.64 28.46 18.62 3.40 0.02 1.99 1.90 18 C C C 22.66 17.20 13.42 30.84 111.52 111.61 -85.81 122.17 94.30 1.63 4.07 59.93 32.24 1.75 3.96 0.55 0.00 0.47 1.09 19 P H H 73.69 5.99 19.79 26.79 93.21 -145.50 -62.12 -30.67 24.74 0.53 74.73 5.06 4.58 14.85 61.05 13.78 0.16 0.29 0.24 20 I H H 50.88 11.43 18.72 30.85 92.77 57.09 -66.22 -36.55 16.31 0.48 83.20 1.77 1.72 11.70 63.74 20.38 0.20 0.33 0.15 21 C H H 7.68 22.22 15.41 37.46 93.63 48.50 -71.76 -33.70 8.67 0.64 90.69 1.82 1.03 5.29 66.79 24.34 0.06 0.59 0.09 22 L H H 49.18 14.92 16.47 31.36 92.15 59.13 -65.22 -31.77 5.79 0.41 93.80 1.15 0.70 3.59 70.54 23.54 0.04 0.39 0.05 23 E H H 125.43 2.88 21.91 24.75 92.20 58.08 -69.87 -27.23 20.71 0.50 78.79 1.35 1.45 16.56 59.80 20.12 0.21 0.36 0.15 24 L H H 50.35 13.22 16.92 30.39 95.61 50.12 -86.70 -17.30 40.81 0.93 58.27 3.02 3.50 32.65 46.50 12.97 0.37 0.56 0.42 25 I C C 21.80 22.11 9.80 30.57 112.74 90.10 -89.80 122.48 77.05 10.82 12.13 56.61 13.22 5.82 11.30 2.00 0.04 5.07 5.95 26 K C S 143.02 3.06 18.02 22.00 100.26 -173.57 -84.31 -27.20 90.35 5.10 4.55 38.94 44.84 6.95 3.23 1.41 0.01 3.00 1.61 27 E C S 123.65 2.99 18.42 21.88 123.72 22.22 -123.20 138.47 93.59 2.93 3.48 16.25 71.62 6.44 1.52 1.46 0.00 1.90 0.81 28 P C C 68.16 11.55 14.56 26.50 113.25 -93.54 -65.60 142.71 89.88 3.59 6.53 70.85 9.60 9.11 1.90 4.90 0.00 2.81 0.83 29 V C C 45.63 16.00 13.70 29.36 115.98 -150.27 -100.80 128.44 73.94 16.55 9.51 53.18 11.67 8.71 3.09 6.79 0.02 11.40 5.13 30 S C C 66.01 7.43 19.08 27.42 118.35 -153.65 -106.66 130.88 75.72 17.72 6.57 54.71 13.36 7.85 1.91 4.88 0.01 14.28 2.99 31 T C C 42.35 16.59 13.67 29.61 128.72 157.69 -130.34 147.34 79.24 16.87 3.89 59.37 15.37 4.51 1.30 2.72 0.01 14.30 2.42 32 K C C 136.98 4.09 20.23 25.15 112.24 -134.79 -89.95 122.41 84.98 12.14 2.88 64.61 14.47 5.55 0.91 2.09 0.00 10.02 2.34 33 C C C 26.32 19.51 10.50 28.79 119.62 100.71 -96.36 139.35 90.42 6.37 3.21 71.85 11.57 6.87 1.19 1.98 0.00 4.70 1.82 34 D C C 105.94 3.77 20.45 24.90 98.34 -157.27 -89.14 -2.21 93.45 3.10 3.45 53.77 33.61 6.31 1.95 1.43 0.00 1.89 1.04 35 H C S 53.58 14.48 16.16 30.84 120.74 89.76 -99.31 140.64 81.09 6.00 12.91 34.83 42.98 3.69 11.91 1.33 0.03 1.92 3.31 36 I H H 64.16 11.33 20.63 32.55 93.12 -131.00 -62.21 -37.38 12.95 0.44 86.61 3.64 3.68 6.36 84.12 1.75 0.07 0.21 0.17 37 F H H 42.64 16.91 21.34 37.68 92.13 56.56 -65.09 -39.50 7.26 0.47 92.27 2.06 1.20 4.31 89.99 1.94 0.06 0.33 0.11 38 C H H 7.16 21.95 19.65 41.30 92.47 51.72 -65.20 -41.31 3.59 0.33 96.08 1.59 0.52 1.71 93.78 2.03 0.02 0.30 0.04 39 K H H 69.07 14.21 23.41 36.73 91.73 51.80 -63.35 -42.13 1.91 0.15 97.94 0.68 0.25 1.03 96.69 1.20 0.01 0.12 0.02 40 F H H 62.13 10.95 24.88 36.02 92.56 48.66 -65.56 -42.04 2.37 0.15 97.48 0.45 0.25 1.84 96.43 0.87 0.04 0.10 0.02 41 C H H 9.23 18.79 22.04 40.84 91.99 49.10 -64.91 -43.05 4.00 0.26 95.74 0.69 0.35 3.21 94.69 0.80 0.08 0.15 0.04 42 M H H 13.23 21.82 21.29 42.42 91.49 50.44 -63.96 -42.89 2.58 0.15 97.26 0.46 0.23 2.12 96.16 0.86 0.05 0.10 0.02 43 L H H 46.61 11.31 22.87 34.49 91.63 50.86 -64.42 -41.77 1.57 0.09 98.34 0.36 0.17 1.05 97.14 1.17 0.01 0.08 0.01 44 K H H 87.13 7.15 23.43 30.87 91.91 49.88 -65.21 -40.46 2.49 0.09 97.42 0.46 0.24 1.77 95.74 1.69 0.01 0.07 0.01 45 L H H 14.60 18.43 16.86 35.69 92.17 49.66 -65.87 -39.55 4.53 0.09 95.38 0.69 0.42 3.37 93.16 2.26 0.02 0.06 0.02 46 L H H 43.70 15.74 16.49 32.04 92.22 53.70 -67.93 -29.73 14.95 0.14 84.91 1.41 1.27 12.26 82.88 1.99 0.06 0.07 0.06 47 N H H 107.66 3.38 18.80 22.42 96.07 48.36 -87.53 -1.57 42.93 0.35 56.72 5.23 4.62 32.49 55.10 2.17 0.05 0.13 0.22 48 Q C C 83.88 10.07 11.42 22.21 110.38 103.45 -83.91 115.26 75.93 1.22 22.85 39.09 16.84 19.37 20.59 2.83 0.01 0.39 0.88 49 K C C 153.83 2.83 14.39 18.41 98.80 -156.03 -76.38 -10.87 88.71 0.68 10.62 38.96 19.47 30.58 7.31 2.96 0.00 0.27 0.44 50 K C S 127.99 4.28 14.85 20.48 114.16 64.51 -102.88 130.74 91.22 0.98 7.80 32.81 34.45 24.46 3.79 3.37 0.00 0.36 0.75 51 G C C 23.64 10.42 15.00 26.23 128.27 -118.88 122.02 174.72 92.33 1.05 6.63 60.18 26.27 5.56 1.77 4.94 0.00 0.40 0.88 52 P C G 59.37 13.15 14.35 27.45 99.89 -55.37 -67.95 3.97 54.65 0.75 44.59 17.69 8.04 26.65 2.66 44.27 0.00 0.41 0.27 53 S C G 69.96 6.63 17.67 25.04 98.30 69.09 -82.81 -6.81 52.02 2.40 45.58 14.81 8.83 28.04 3.02 43.17 0.01 1.48 0.65 54 Q C G 100.76 6.58 19.48 26.63 111.50 62.18 -102.89 105.55 51.59 7.79 40.62 25.90 14.86 12.02 4.41 35.45 0.07 4.20 3.08 55 C C C 12.28 21.58 10.67 31.65 112.57 -135.25 -89.96 123.96 89.73 8.33 1.93 60.99 25.63 2.33 0.98 0.99 0.00 2.99 6.08 56 P C T 73.19 5.76 20.85 27.60 93.57 -140.84 -65.28 -22.76 89.29 0.75 9.96 7.37 13.61 68.16 4.00 5.98 0.01 0.44 0.45 57 L C T 43.53 15.77 16.84 32.23 96.78 49.52 -78.63 -26.79 88.80 1.26 9.94 5.21 13.34 70.33 3.69 5.94 0.02 0.75 0.73 58 C C T 22.40 18.20 12.79 30.43 107.04 41.22 -105.89 43.28 77.13 10.90 11.96 26.04 19.65 32.34 3.98 7.02 0.17 5.15 5.66 59 K C C 147.19 3.44 17.64 22.15 97.23 -146.50 -68.79 2.02 85.12 7.60 7.29 44.77 24.18 16.60 3.51 3.67 0.01 4.11 3.16 60 N C C 87.87 6.30 16.18 23.59 124.81 69.86 -103.75 154.58 84.26 8.54 7.20 36.23 34.12 14.83 3.15 3.85 0.02 5.35 2.45 61 D C C 93.29 5.96 19.02 25.85 112.06 -105.74 -83.01 129.86 82.34 12.40 5.26 66.99 9.97 4.71 2.69 2.76 0.00 7.69 5.19 62 I C C 18.63 21.72 10.95 32.10 116.98 -148.49 -101.53 128.24 82.49 14.79 2.73 75.31 5.25 1.09 2.17 0.74 0.00 8.10 7.33 63 T C C 57.99 4.86 22.48 27.14 127.19 -165.98 -106.33 162.84 87.41 7.50 5.09 82.20 3.91 1.35 4.42 0.87 0.00 4.56 2.69 64 K H H 104.06 11.96 13.87 26.05 92.08 -104.92 -59.16 -36.19 22.99 0.87 76.14 6.73 4.57 11.84 58.29 17.60 0.13 0.56 0.29 65 R H H 154.56 1.83 18.34 19.76 92.12 55.78 -65.16 -36.54 20.23 0.50 79.27 4.42 3.05 11.67 60.07 20.22 0.09 0.33 0.16 66 S H H 34.50 9.54 15.79 26.82 92.73 52.19 -70.29 -32.06 19.03 0.58 80.39 6.25 3.08 8.76 58.89 22.42 0.05 0.37 0.17 67 L H H 16.68 21.26 11.30 31.61 94.20 57.98 -70.39 -33.94 26.54 1.10 72.36 12.82 5.12 9.31 56.11 15.55 0.05 0.61 0.43 68 Q H H 102.77 6.43 16.80 24.17 95.13 59.38 -70.69 -26.41 44.93 1.58 53.49 19.21 7.58 19.54 42.84 9.20 0.08 0.82 0.75 69 E C H 133.90 2.46 17.13 19.75 96.24 54.78 -80.50 -13.19 61.67 1.24 37.09 21.04 13.37 28.28 28.77 7.26 0.05 0.53 0.70 70 S C C 33.64 13.93 10.89 24.95 110.51 85.38 -94.95 108.26 82.87 1.28 15.86 55.46 19.28 6.94 14.66 2.39 0.00 0.43 0.84 71 T H H 90.80 3.62 16.74 21.21 95.30 -157.52 -68.74 -27.58 45.17 0.57 54.27 13.22 13.78 18.45 51.34 2.66 0.05 0.21 0.30 72 R H H 108.17 7.70 18.37 26.73 93.28 58.84 -67.29 -37.26 24.95 0.42 74.63 7.54 5.08 13.27 71.51 2.16 0.06 0.17 0.21 73 F H H 19.23 20.70 14.54 34.88 92.33 51.75 -65.58 -41.36 6.35 0.08 93.58 2.69 0.99 2.78 92.09 1.38 0.01 0.03 0.02 74 S H H 43.49 8.74 18.69 28.42 91.75 53.12 -62.81 -41.29 2.63 0.03 97.34 1.14 0.32 1.17 96.48 0.88 0.00 0.02 0.01 75 Q H H 100.28 2.48 22.82 24.10 91.91 50.16 -64.84 -40.92 1.59 0.01 98.39 0.51 0.17 0.85 97.83 0.63 0.00 0.01 0.00 76 L H H 23.46 15.33 19.00 34.84 92.06 50.09 -64.50 -43.03 0.87 0.01 99.12 0.27 0.08 0.44 98.94 0.26 0.00 0.00 0.00 77 V H H 16.57 19.26 17.74 36.88 92.04 50.39 -63.36 -42.48 0.31 0.00 99.69 0.09 0.02 0.14 99.68 0.07 0.00 0.00 0.00 78 E H H 101.73 3.73 22.52 26.13 91.80 50.56 -63.60 -41.46 0.18 0.00 99.82 0.03 0.01 0.10 99.81 0.05 0.00 0.00 0.00 79 E H H 86.38 5.37 21.64 27.34 91.80 50.08 -64.79 -41.44 0.21 0.00 99.79 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 80 L H H 17.54 19.31 17.47 36.74 92.24 50.17 -64.40 -42.32 0.27 0.00 99.73 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 81 L H H 51.96 12.53 18.94 31.81 91.86 51.10 -64.01 -40.78 0.42 0.00 99.58 0.06 0.02 0.26 99.53 0.13 0.00 0.00 0.00 82 K H H 124.16 2.24 21.91 23.31 91.71 50.97 -64.91 -40.34 1.19 0.00 98.81 0.16 0.07 0.85 98.60 0.31 0.00 0.00 0.00 83 I H H 49.54 10.00 18.53 29.65 92.37 49.69 -65.50 -41.81 1.94 0.02 98.04 0.35 0.15 1.28 97.66 0.55 0.00 0.01 0.00 84 I H H 30.05 15.70 15.86 31.98 92.54 49.68 -65.55 -41.24 4.13 0.07 95.80 1.18 0.48 2.24 95.04 1.00 0.00 0.04 0.01 85 C H H 63.87 5.11 17.34 23.47 92.62 51.51 -65.90 -37.88 14.79 0.24 84.97 4.60 1.56 8.57 82.11 2.91 0.02 0.14 0.09 86 A H H 60.74 3.43 16.03 20.19 92.72 55.41 -67.73 -33.45 25.65 0.34 74.01 6.68 2.98 15.96 69.42 4.61 0.03 0.18 0.15 87 F H H 89.09 9.39 12.69 23.07 96.91 52.79 -80.78 -17.59 36.03 1.27 62.70 15.42 5.81 15.79 56.95 4.80 0.06 0.67 0.49 88 Q C H 102.31 6.43 12.51 20.16 100.44 67.85 -78.76 -7.75 50.82 4.25 44.93 31.01 6.22 13.71 41.54 3.63 0.04 2.59 1.27 89 L C C 106.93 4.40 9.87 15.97 104.19 91.22 -81.55 16.35 60.24 5.59 34.17 36.47 8.17 14.62 32.40 3.23 0.04 3.52 1.55 90 D C C 109.65 2.57 9.86 14.01 105.79 64.89 -88.99 69.51 77.67 2.40 19.93 58.37 1.73 15.58 20.32 1.67 0.00 1.54 0.80 91 T C C 93.63 4.33 10.68 16.75 106.51 132.20 -92.00 43.79 99.87 0.09 0.05 99.76 0.08 0.07 0.03 0.00 0.00 0.05 0.01