# 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 109.38 5.88 11.09 18.33 114.92 -152.25 -92.25 133.78 99.88 0.07 0.06 99.74 0.12 0.07 0.03 0.00 0.00 0.02 0.02 1 A C C 69.69 4.50 9.39 15.43 110.35 -127.96 -80.80 135.65 83.98 0.97 15.04 75.34 1.30 8.62 10.90 2.82 0.00 0.45 0.57 2 D C C 105.39 2.83 9.42 13.74 101.63 -140.46 -78.19 -4.08 74.55 1.08 24.37 48.39 11.97 14.31 19.02 5.19 0.00 0.47 0.65 3 K C C 128.78 3.30 9.99 14.76 102.86 70.58 -80.29 -2.09 57.11 1.01 41.89 37.36 11.58 9.04 34.48 6.59 0.01 0.44 0.50 4 T H H 78.49 3.82 10.34 15.70 98.37 61.15 -72.88 -32.91 46.66 1.59 51.74 32.04 7.11 8.76 42.57 8.02 0.01 0.83 0.67 5 I H H 99.38 4.52 10.56 16.54 97.85 56.50 -76.50 -27.82 39.51 1.98 58.51 23.75 7.67 10.15 46.82 9.72 0.04 1.08 0.76 6 F H H 119.16 4.73 10.83 17.02 99.31 57.51 -85.14 -12.23 40.36 1.99 57.65 23.15 7.72 11.65 46.46 9.10 0.06 1.06 0.81 7 N H H 97.88 3.75 11.70 16.74 101.80 65.38 -82.07 9.53 44.47 1.21 54.32 20.61 10.54 15.66 43.52 8.41 0.08 0.56 0.62 8 D C H 94.04 3.70 11.53 16.53 101.75 60.16 -81.71 27.93 49.70 0.98 49.32 19.44 10.42 21.29 35.90 11.82 0.08 0.43 0.62 9 H C H 114.56 4.69 10.99 17.14 96.52 108.26 -74.09 -24.24 51.54 1.04 47.41 12.96 9.53 28.81 32.36 15.01 0.12 0.52 0.70 10 L C T 96.38 5.63 10.46 17.50 100.76 52.82 -89.17 -0.62 59.04 2.00 38.96 15.85 13.09 30.87 25.04 12.72 0.18 0.96 1.29 11 N C C 106.43 3.56 11.68 16.69 104.16 80.45 -82.66 72.54 80.29 2.01 17.71 41.44 17.58 21.83 10.72 6.31 0.01 0.86 1.25 12 T C C 86.17 4.92 9.43 16.11 111.61 154.61 -93.54 123.69 87.83 2.06 10.11 53.35 21.81 12.56 6.48 3.54 0.00 0.83 1.43 13 N C C 95.88 3.51 10.35 15.46 114.87 -139.21 -94.49 135.39 93.38 1.20 5.41 63.28 25.49 4.53 3.93 1.52 0.00 0.45 0.82 14 P C C 102.04 3.35 9.89 15.01 98.93 -125.20 -67.86 -17.13 69.29 0.81 29.90 35.02 16.51 18.25 21.95 7.41 0.01 0.36 0.48 15 K C H 146.95 2.01 10.98 13.93 103.23 71.05 -83.06 0.24 55.67 1.02 43.32 27.65 13.23 15.96 33.86 8.28 0.02 0.44 0.55 16 T C H 79.96 4.39 9.97 16.03 106.21 86.94 -86.58 31.03 53.88 1.44 44.68 34.92 9.43 10.09 37.00 7.23 0.01 0.70 0.63 17 N C H 85.50 3.80 11.56 16.76 107.79 115.61 -88.43 126.44 52.60 1.39 46.01 41.61 5.48 5.89 42.08 3.73 0.00 0.61 0.59 18 L H H 101.42 3.76 11.21 16.60 94.48 -133.04 -65.16 -36.59 10.35 0.12 89.53 6.62 1.58 2.30 88.33 1.08 0.00 0.05 0.05 19 R H H 152.26 1.78 13.70 15.78 92.30 53.42 -64.76 -40.12 3.16 0.03 96.82 1.25 0.42 1.37 96.16 0.77 0.00 0.01 0.01 20 L H H 89.73 2.34 14.26 17.02 92.43 49.96 -65.92 -40.51 1.79 0.02 98.19 0.69 0.20 0.82 97.63 0.63 0.00 0.01 0.00 21 W H H 122.78 3.77 13.84 18.86 92.35 50.86 -64.66 -41.24 0.90 0.01 99.09 0.34 0.10 0.39 98.89 0.27 0.00 0.00 0.00 22 V H H 72.34 3.58 14.48 19.23 91.95 49.99 -64.15 -41.88 0.49 0.00 99.51 0.14 0.04 0.23 99.47 0.11 0.00 0.00 0.00 23 A H H 60.10 2.10 16.10 18.01 91.69 50.08 -63.91 -41.54 0.40 0.00 99.60 0.10 0.03 0.21 99.58 0.09 0.00 0.00 0.00 24 F H H 112.06 2.32 16.23 18.51 92.16 49.95 -65.08 -40.91 0.36 0.00 99.64 0.07 0.03 0.20 99.63 0.07 0.00 0.00 0.00 25 Q H H 87.04 4.14 15.21 20.47 92.31 50.70 -65.25 -40.36 0.40 0.00 99.60 0.06 0.02 0.24 99.60 0.08 0.00 0.00 0.00 26 M H H 101.93 3.27 15.61 19.58 92.02 50.71 -64.49 -41.04 0.90 0.00 99.10 0.10 0.05 0.65 99.07 0.13 0.00 0.00 0.00 27 M H H 108.73 1.92 17.16 18.38 92.22 49.12 -64.98 -41.38 1.20 0.00 98.79 0.17 0.09 0.84 98.70 0.20 0.00 0.00 0.00 28 K H H 113.78 2.34 17.36 19.47 92.20 49.49 -64.84 -41.19 1.25 0.00 98.75 0.12 0.08 0.95 98.63 0.22 0.00 0.00 0.00 29 G H H 30.20 4.40 15.64 21.44 92.21 49.90 -64.23 -41.44 1.56 0.00 98.43 0.14 0.09 1.20 98.33 0.24 0.00 0.00 0.00 30 A H H 56.14 3.37 16.08 20.23 91.84 50.89 -64.17 -40.96 0.79 0.00 99.21 0.13 0.06 0.51 99.10 0.21 0.00 0.00 0.00 31 G H H 40.77 2.06 17.54 18.91 92.12 50.59 -64.23 -41.70 0.61 0.00 99.39 0.08 0.04 0.41 99.31 0.16 0.00 0.00 0.00 32 W H H 149.54 1.96 17.57 18.84 92.16 48.87 -65.30 -41.42 0.34 0.00 99.66 0.04 0.02 0.22 99.61 0.11 0.00 0.00 0.00 33 A H H 49.38 3.90 15.42 20.58 91.65 50.45 -63.73 -41.58 0.31 0.00 99.69 0.03 0.01 0.21 99.66 0.08 0.00 0.00 0.00 34 G H H 36.65 2.68 16.10 19.17 91.79 50.91 -63.84 -41.30 0.40 0.00 99.60 0.03 0.02 0.28 99.56 0.11 0.00 0.00 0.00 35 G H H 40.73 1.74 16.62 17.51 91.93 50.23 -64.39 -41.67 0.39 0.00 99.61 0.03 0.01 0.28 99.54 0.13 0.00 0.00 0.00 36 V H H 86.43 2.19 15.79 17.91 92.01 49.44 -64.91 -41.70 0.59 0.00 99.41 0.04 0.02 0.48 99.31 0.15 0.00 0.00 0.00 37 F H H 116.04 2.46 15.00 17.85 92.09 49.48 -64.85 -41.67 0.83 0.00 99.17 0.06 0.04 0.68 99.10 0.12 0.00 0.00 0.00 38 F H H 126.39 1.46 16.04 16.51 92.04 49.09 -64.59 -41.54 0.42 0.00 99.58 0.03 0.02 0.30 99.59 0.06 0.00 0.00 0.00 39 G H H 37.84 2.00 15.11 17.07 91.80 50.14 -64.06 -41.78 0.27 0.00 99.73 0.03 0.02 0.16 99.75 0.04 0.00 0.00 0.00 40 T H H 72.91 2.55 14.51 17.52 92.02 49.52 -65.02 -41.04 0.15 0.00 99.85 0.01 0.00 0.09 99.85 0.03 0.00 0.00 0.00 41 L H H 97.97 1.76 15.05 16.48 91.94 50.04 -64.20 -41.24 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 42 L H H 101.02 1.35 15.35 15.69 91.81 49.73 -64.64 -41.35 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 43 L H H 92.78 2.09 14.49 16.71 92.04 49.63 -64.33 -41.50 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 44 I H H 93.63 2.27 14.32 16.93 91.94 49.28 -64.39 -41.42 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 45 G H H 39.88 1.65 14.91 16.12 91.72 50.57 -63.74 -41.58 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 46 F H H 122.72 1.59 15.01 16.03 91.99 49.72 -64.76 -41.63 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.03 0.00 0.00 0.00 47 F H H 113.52 2.82 13.95 17.59 92.04 49.59 -65.30 -41.03 0.23 0.00 99.77 0.01 0.01 0.18 99.76 0.04 0.00 0.00 0.00 48 R H H 132.31 2.29 14.35 17.08 92.33 50.43 -64.55 -41.17 0.35 0.00 99.65 0.02 0.01 0.30 99.52 0.15 0.00 0.00 0.00 49 V H H 87.92 1.39 15.24 15.65 91.94 49.35 -64.56 -41.86 0.76 0.00 99.24 0.04 0.03 0.65 98.95 0.32 0.00 0.00 0.00 50 V H H 80.94 2.39 14.37 17.07 92.19 48.73 -65.21 -40.51 1.05 0.00 98.95 0.06 0.05 0.86 97.92 1.10 0.00 0.00 0.00 51 G H H 30.37 6.33 10.89 19.25 92.14 54.91 -65.42 -33.96 4.76 0.00 95.23 0.18 0.17 4.28 89.54 5.82 0.00 0.00 0.00 52 R H H 166.42 1.62 13.72 15.65 92.60 56.22 -71.25 -23.61 25.23 0.01 74.76 0.36 0.60 25.26 67.53 6.22 0.01 0.00 0.01 53 M H H 141.27 1.19 13.21 13.80 95.72 52.80 -87.73 -11.31 38.70 0.06 61.24 1.31 2.78 34.19 56.56 5.03 0.05 0.02 0.07 54 L C S 70.81 7.86 6.93 16.42 118.77 97.82 -81.79 142.56 99.23 0.29 0.48 14.01 84.65 0.61 0.37 0.06 0.00 0.06 0.24 55 P C C 81.41 2.44 12.25 15.64 113.65 -104.43 -63.86 148.06 97.73 0.26 2.01 93.44 2.87 1.71 1.16 0.52 0.00 0.10 0.19 56 I C G 122.36 3.07 10.09 14.94 94.86 -111.05 -62.19 -32.97 50.33 0.70 48.98 15.58 10.39 23.90 23.47 25.77 0.03 0.29 0.57 57 Q H G 126.52 1.78 12.03 14.33 94.68 59.51 -73.21 -20.74 41.65 0.52 57.83 12.99 6.37 20.98 25.52 33.58 0.01 0.27 0.29 58 E H G 92.61 6.80 9.97 18.30 94.48 67.15 -69.89 -25.25 26.34 0.44 73.22 10.07 4.13 11.37 27.60 46.41 0.01 0.24 0.17 59 N H G 100.39 5.08 10.92 17.61 94.97 62.83 -76.19 -12.05 37.18 0.75 62.07 11.40 6.59 18.42 21.52 41.28 0.03 0.37 0.39 60 Q C G 137.18 1.63 13.05 15.02 97.82 62.71 -88.81 -0.49 58.59 1.49 39.92 27.44 13.67 18.51 10.53 28.16 0.02 0.62 1.06 61 A C S 51.47 6.59 8.31 16.86 119.65 106.07 -83.23 148.34 98.78 0.80 0.42 46.92 51.18 0.76 0.21 0.14 0.00 0.22 0.55 62 P C C 100.53 2.08 12.75 15.76 114.47 -99.67 -66.95 149.85 98.84 0.83 0.33 85.35 12.21 1.24 0.10 0.19 0.00 0.31 0.61 63 A C C 69.62 5.32 10.13 17.29 114.55 -100.65 -70.42 145.60 99.08 0.65 0.27 89.42 8.73 0.89 0.10 0.13 0.00 0.24 0.49 64 P C C 92.57 4.81 10.47 16.98 103.01 -106.84 -69.27 34.78 95.47 0.78 3.75 49.29 31.32 15.17 1.43 1.91 0.00 0.29 0.59 65 N C C 96.89 3.71 11.28 16.45 115.05 123.03 -97.02 140.24 86.73 3.29 9.98 45.58 29.17 12.13 5.78 3.59 0.01 1.05 2.69 66 I C C 112.12 3.99 11.41 16.89 98.35 -123.98 -70.26 -28.93 60.54 1.85 37.61 31.30 14.10 16.52 25.58 10.56 0.03 0.83 1.07 67 T C H 88.14 3.53 12.26 17.12 97.28 59.54 -72.92 -32.85 49.80 1.33 48.87 23.22 9.45 18.38 35.45 12.08 0.05 0.70 0.69 68 G H H 39.18 4.66 12.18 18.35 96.48 57.05 -65.25 -39.43 42.78 1.48 55.74 22.52 8.17 13.09 40.90 13.84 0.05 0.79 0.65 69 A H H 64.74 4.23 12.65 18.29 94.94 58.47 -69.18 -31.27 37.36 2.02 60.62 22.85 6.98 8.82 48.37 11.09 0.03 1.19 0.66 70 L H H 89.48 5.60 12.36 19.46 95.98 58.64 -73.90 -29.86 37.92 3.63 58.46 25.96 7.04 6.90 50.04 6.78 0.04 2.27 0.96 71 E H H 110.15 4.13 13.90 19.22 95.56 60.96 -69.69 -35.88 37.73 2.83 59.44 28.62 5.13 5.23 55.03 3.56 0.01 1.71 0.71 72 T H H 77.07 3.83 14.30 19.10 95.35 55.03 -69.15 -37.86 33.48 1.03 65.48 23.24 4.75 5.45 63.77 1.98 0.00 0.54 0.27 73 G H H 33.65 5.60 13.91 20.93 95.36 49.29 -61.19 -39.87 28.48 0.59 70.93 19.94 3.37 5.21 69.26 1.76 0.00 0.30 0.17 74 I H H 81.49 5.17 12.98 19.66 93.59 53.76 -66.39 -39.65 7.92 0.30 91.78 5.27 1.19 2.12 89.26 1.90 0.00 0.19 0.05 75 E H H 110.87 2.26 15.06 17.52 92.77 52.20 -65.73 -40.40 4.79 0.43 94.78 3.05 0.68 1.56 92.13 2.15 0.00 0.38 0.05 76 L H H 82.98 3.17 13.31 17.63 92.56 51.12 -65.69 -40.55 4.47 0.52 95.01 2.42 0.61 1.77 91.90 2.73 0.01 0.51 0.06 77 I H H 83.54 4.59 11.04 17.35 92.79 51.57 -66.64 -37.60 4.75 0.34 94.91 2.06 0.62 2.19 90.85 3.90 0.01 0.33 0.05 78 K H H 134.14 2.36 11.51 15.08 92.69 55.06 -66.60 -33.27 12.46 0.44 87.10 2.99 1.35 7.93 79.55 7.67 0.04 0.36 0.11 79 H H H 146.91 1.18 10.65 12.18 94.37 54.30 -73.91 -24.55 30.21 0.41 69.39 4.44 2.29 22.68 63.57 6.55 0.05 0.25 0.17 80 L H H 119.56 2.24 9.10 12.58 98.16 54.36 -82.57 -14.46 49.60 0.66 49.74 20.98 1.69 26.16 46.92 3.55 0.01 0.30 0.39 81 V C C 93.39 5.21 9.76 16.41 106.11 74.60 -88.48 60.78 99.88 0.07 0.04 99.79 0.08 0.06 0.03 0.00 0.00 0.03 0.01