# 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 117.87 5.14 10.29 17.19 117.71 -164.37 -103.86 132.65 99.11 0.83 0.06 99.08 0.19 0.08 0.03 0.01 0.00 0.53 0.09 1 L C C 121.57 2.65 8.22 12.66 115.90 -146.91 -98.36 128.71 71.32 26.57 2.11 67.41 1.56 1.68 1.18 0.80 0.00 21.45 5.92 2 R C C 183.46 1.33 7.29 10.18 114.23 -152.89 -96.31 131.34 69.29 28.37 2.34 53.47 10.74 4.38 0.99 1.51 0.01 23.95 4.96 3 R C C 168.40 2.09 6.51 10.50 117.44 -146.49 -99.29 138.04 80.50 18.14 1.37 57.30 20.87 2.61 0.55 0.90 0.00 13.83 3.93 4 K C C 161.32 1.18 8.82 11.06 115.18 -114.29 -83.09 137.24 94.55 4.31 1.15 76.33 14.36 3.80 0.34 0.86 0.00 3.43 0.89 5 P C C 104.95 2.73 6.86 11.59 111.92 -100.25 -69.58 146.11 89.70 1.73 8.57 45.31 16.01 27.96 1.51 7.57 0.00 1.15 0.48 6 T C C 111.61 1.51 8.39 10.89 104.22 -137.37 -89.21 8.37 82.04 6.53 11.43 35.12 21.52 25.66 2.06 9.55 0.01 4.88 1.20 7 R C C 177.41 1.48 8.64 11.54 119.75 48.07 -113.63 136.09 63.22 24.48 12.29 40.51 14.64 9.49 3.09 9.30 0.04 20.00 2.91 8 L C C 113.35 3.52 7.60 13.27 119.89 -165.33 -114.43 135.05 65.99 31.17 2.83 58.52 5.40 1.41 1.50 1.35 0.00 29.34 2.47 9 E C C 149.13 1.41 11.37 13.74 114.99 -138.04 -92.67 130.96 58.59 39.31 2.11 54.50 2.63 0.89 1.44 0.78 0.00 35.82 3.93 10 L C C 84.39 8.53 6.71 16.22 118.35 -142.23 -95.19 138.87 73.98 24.44 1.58 70.95 2.41 0.56 1.16 0.47 0.00 21.41 3.05 11 K C C 125.12 1.89 12.91 15.28 121.60 -143.04 -95.59 156.11 84.94 13.24 1.81 83.33 1.81 0.53 1.39 0.41 0.00 9.63 2.91 12 L H G 123.30 2.71 9.76 14.23 92.24 -108.91 -58.56 -36.68 21.36 1.14 77.50 4.95 2.82 12.25 33.92 44.83 0.04 0.97 0.21 13 D H G 119.53 0.79 12.96 12.86 92.21 59.73 -69.77 -22.06 22.45 0.76 76.79 3.49 2.45 14.67 33.83 44.70 0.05 0.61 0.19 14 D H G 62.04 6.31 9.98 18.25 97.63 55.79 -90.48 -6.22 18.46 0.84 80.70 6.56 2.62 8.63 35.42 45.97 0.03 0.57 0.21 15 I H H 73.52 6.92 10.68 19.46 92.93 85.99 -62.82 -40.94 3.14 0.07 96.79 2.23 0.42 0.78 95.71 0.82 0.00 0.03 0.01 16 E H H 126.50 1.24 15.54 15.71 92.17 51.58 -64.57 -40.82 0.80 0.02 99.18 0.37 0.09 0.33 98.84 0.36 0.00 0.01 0.00 17 E H H 105.41 2.09 15.36 17.36 92.07 50.20 -64.84 -41.14 0.58 0.01 99.41 0.24 0.07 0.27 99.08 0.33 0.00 0.01 0.00 18 F H H 79.42 6.45 13.15 21.25 92.40 49.73 -65.05 -41.35 0.40 0.01 99.59 0.16 0.04 0.18 99.42 0.19 0.00 0.00 0.00 19 E H H 92.70 3.25 15.53 19.52 91.68 51.08 -63.72 -40.62 0.36 0.00 99.64 0.10 0.03 0.18 99.59 0.09 0.00 0.00 0.00 20 N H H 89.25 1.61 16.41 17.08 91.77 50.46 -64.52 -40.70 0.57 0.00 99.43 0.11 0.04 0.34 99.44 0.08 0.00 0.00 0.00 21 I H H 81.03 3.53 15.16 19.49 92.12 49.79 -64.90 -41.46 0.43 0.00 99.57 0.09 0.03 0.24 99.58 0.06 0.00 0.00 0.00 22 R H H 113.81 4.36 14.60 19.94 92.01 50.11 -64.99 -40.64 0.34 0.00 99.65 0.08 0.02 0.18 99.66 0.05 0.00 0.00 0.00 23 K H H 120.32 1.70 16.21 17.30 91.80 50.11 -64.34 -40.98 0.33 0.00 99.67 0.06 0.02 0.18 99.69 0.04 0.00 0.00 0.00 24 D H H 83.62 1.77 16.04 17.17 91.88 49.95 -64.70 -40.84 0.38 0.00 99.62 0.06 0.02 0.22 99.65 0.04 0.00 0.00 0.00 25 L H H 78.23 3.49 14.43 18.88 92.11 49.91 -64.86 -40.92 0.37 0.00 99.63 0.05 0.02 0.21 99.67 0.05 0.00 0.00 0.00 26 E H H 100.27 2.40 15.11 17.76 92.01 50.82 -64.41 -40.87 0.50 0.00 99.50 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 27 T H H 75.55 1.65 15.12 16.21 91.86 49.96 -64.79 -41.39 0.73 0.00 99.27 0.12 0.05 0.42 99.32 0.08 0.00 0.00 0.00 28 R H H 133.27 1.87 14.54 16.30 92.12 50.12 -64.95 -40.42 0.77 0.00 99.23 0.14 0.06 0.44 99.26 0.10 0.00 0.00 0.00 29 K H H 114.59 2.24 13.85 16.48 92.32 50.62 -65.29 -39.98 1.02 0.00 98.98 0.19 0.08 0.60 98.98 0.16 0.00 0.00 0.00 30 K H H 122.28 1.58 14.10 15.39 92.42 50.63 -65.52 -39.85 1.58 0.01 98.41 0.31 0.14 0.95 98.34 0.26 0.00 0.00 0.00 31 Q H H 107.83 1.65 13.54 15.04 92.47 50.62 -65.82 -39.97 2.74 0.02 97.24 0.60 0.28 1.65 97.03 0.43 0.00 0.01 0.00 32 K H H 122.14 2.12 12.81 15.33 92.68 51.24 -66.89 -38.50 4.76 0.05 95.19 1.16 0.54 2.90 94.50 0.86 0.01 0.02 0.01 33 E H H 119.19 1.94 12.68 14.97 93.13 51.76 -67.58 -36.82 8.60 0.10 91.30 2.34 1.05 5.14 90.00 1.38 0.02 0.05 0.04 34 D H H 101.76 1.52 11.97 13.71 94.53 52.13 -70.93 -30.81 15.55 0.23 84.22 5.23 2.15 8.49 81.75 2.14 0.03 0.12 0.09 35 V H H 96.50 2.38 10.60 13.98 96.94 56.38 -74.77 -29.86 21.83 0.64 77.53 9.82 3.92 9.43 72.83 3.37 0.06 0.33 0.26 36 E H H 137.20 1.84 10.87 13.49 98.65 58.93 -78.50 -18.05 31.80 1.47 66.74 17.68 4.93 11.04 60.91 4.07 0.04 0.81 0.52 37 V H H 111.17 1.95 9.57 12.63 102.45 64.61 -85.94 11.89 41.98 2.30 55.72 22.99 6.91 14.26 49.40 4.28 0.06 1.23 0.87 38 V C H 112.82 2.06 8.79 12.27 106.81 77.28 -88.70 83.58 56.93 2.65 40.42 25.28 11.25 21.80 35.33 3.83 0.10 1.23 1.18 39 G C C 58.62 1.75 10.36 13.11 107.97 15.57 77.34 10.14 82.85 2.04 15.11 36.08 18.81 28.57 10.96 3.62 0.01 0.93 1.01 40 G C C 52.55 2.71 9.03 13.43 115.46 118.47 -109.07 159.10 90.24 2.49 7.27 49.32 21.54 19.80 2.76 4.09 0.00 1.19 1.30 41 S C C 89.31 2.01 9.00 12.37 109.78 -87.48 -88.34 107.66 89.04 3.15 7.81 49.59 20.31 19.29 2.27 5.38 0.00 1.52 1.63 42 D C C 121.27 1.39 9.21 11.62 105.66 66.47 -91.60 39.50 87.95 3.25 8.79 43.01 22.08 23.32 2.39 6.06 0.00 1.60 1.53 43 G C C 53.96 2.69 8.75 13.14 110.57 116.82 48.43 125.52 86.21 3.74 10.06 42.03 23.57 21.21 2.88 6.72 0.01 1.85 1.73 44 E C C 150.93 1.56 9.23 11.98 110.88 -97.76 -91.49 115.34 80.55 5.31 14.13 41.17 21.25 18.84 4.87 8.69 0.02 2.69 2.47 45 G C C 54.26 2.33 9.95 13.65 114.22 36.72 3.17 171.39 78.99 5.18 15.83 41.68 20.39 17.58 5.38 9.97 0.02 2.94 2.05 46 A C C 83.58 2.86 9.09 13.73 111.60 -83.62 -85.60 131.63 75.14 7.02 17.84 50.80 14.05 10.30 6.87 11.05 0.01 4.32 2.58 47 I C C 124.96 2.84 8.75 13.47 113.74 -151.39 -94.35 127.84 75.78 9.20 15.03 49.70 13.69 12.62 5.75 9.17 0.03 5.69 3.35 48 G C C 51.58 3.12 9.57 14.33 115.81 -133.49 -98.49 149.54 82.97 6.71 10.32 56.22 13.04 13.83 3.47 6.79 0.01 4.30 2.34 49 L C C 128.57 2.53 8.57 12.83 108.81 -133.60 -90.03 109.26 84.22 7.03 8.75 52.84 16.49 14.99 2.89 5.85 0.01 4.10 2.84 50 S C C 82.07 2.60 8.56 12.93 113.66 -150.10 -96.76 127.65 88.64 5.57 5.80 52.76 20.41 15.71 1.89 3.81 0.00 3.03 2.39 51 S C C 91.62 1.81 8.84 11.96 107.52 -152.26 -92.16 61.86 92.62 2.76 4.62 43.58 38.24 11.26 1.72 2.55 0.00 1.29 1.36 52 D C C 107.52 2.20 9.08 12.93 112.99 88.70 -93.49 121.11 92.88 1.77 5.35 56.74 30.93 5.23 3.54 1.80 0.00 0.73 1.02 53 P C C 99.11 3.31 8.50 13.81 107.61 -135.72 -70.66 137.27 72.05 1.93 26.01 49.01 11.42 11.00 21.17 5.49 0.00 0.95 0.96 54 K C C 131.80 3.37 9.69 14.81 113.74 -132.99 -89.01 136.92 67.36 2.16 30.48 46.53 11.98 8.25 27.04 4.20 0.01 0.99 1.00 55 S C C 61.16 3.25 11.05 15.71 114.28 -118.87 -80.05 154.70 64.79 1.88 33.34 54.28 5.67 4.28 31.50 2.64 0.00 0.86 0.76 56 R H H 151.67 3.46 10.94 16.03 93.93 -115.03 -62.97 -36.07 7.72 0.16 92.12 4.49 1.70 2.25 90.12 1.31 0.00 0.08 0.05 57 E H H 119.38 2.84 13.02 16.81 93.05 54.10 -66.24 -40.04 3.70 0.12 96.18 1.81 0.63 1.54 94.71 1.21 0.01 0.08 0.02 58 Q H H 93.89 2.99 13.75 17.65 92.81 50.94 -65.94 -39.47 3.27 0.17 96.56 1.77 0.48 1.34 94.81 1.43 0.01 0.13 0.03 59 M H H 85.71 3.76 13.65 18.68 92.44 51.31 -65.97 -40.96 2.98 0.18 96.85 1.57 0.45 1.25 95.63 0.96 0.01 0.12 0.03 60 I H H 75.24 4.36 13.11 19.04 92.60 50.06 -64.83 -41.85 2.75 0.18 97.07 1.14 0.40 1.36 95.99 0.95 0.01 0.12 0.03 61 N H H 75.46 4.24 12.44 18.22 92.33 50.89 -65.19 -39.67 3.63 0.13 96.24 1.13 0.46 2.14 94.68 1.46 0.02 0.08 0.03 62 D H H 99.27 2.12 13.47 16.17 93.13 51.27 -67.57 -35.56 6.86 0.10 93.04 1.07 0.68 5.14 90.35 2.64 0.04 0.06 0.03 63 R H H 153.32 2.27 12.05 15.22 94.70 51.85 -73.32 -27.38 14.85 0.14 85.01 1.26 1.31 12.41 82.42 2.39 0.08 0.06 0.07 64 I H H 104.81 3.77 10.50 15.64 100.24 42.16 -93.91 -2.63 44.69 0.73 54.59 3.52 6.36 34.95 51.88 2.28 0.23 0.26 0.50 65 G C T 53.85 2.07 12.62 15.27 101.05 -108.34 81.85 15.16 98.08 0.76 1.16 33.23 9.99 55.21 0.51 0.40 0.00 0.42 0.24 66 Y C C 136.30 5.27 8.21 15.29 116.07 129.59 -95.73 132.09 93.88 5.59 0.53 82.07 10.03 1.32 0.24 0.26 0.00 2.21 3.88 67 K C C 152.84 1.65 11.85 14.44 113.93 -166.16 -112.07 116.14 97.92 2.01 0.07 90.58 7.32 0.24 0.03 0.03 0.00 1.12 0.68 68 P C C 87.67 6.00 7.88 15.80 113.93 -125.52 -68.81 145.66 98.55 1.35 0.09 92.35 5.84 0.47 0.03 0.05 0.00 0.73 0.52 69 Q C C 131.39 1.98 10.04 13.58 117.28 -122.35 -88.12 142.17 97.94 2.01 0.04 91.80 6.14 0.19 0.01 0.02 0.00 1.02 0.81 70 P C C 114.05 1.60 9.51 12.61 112.95 -102.09 -67.20 145.13 95.70 4.13 0.16 90.22 5.17 0.42 0.06 0.08 0.00 1.63 2.42 71 K C C 145.29 2.85 7.07 12.11 115.45 -117.58 -87.40 138.17 98.14 1.54 0.32 92.77 4.97 0.46 0.14 0.13 0.00 0.64 0.90 72 P C C 109.25 1.67 8.28 11.45 111.97 -108.43 -69.67 146.54 90.36 1.12 8.52 72.83 7.34 10.07 2.36 6.15 0.00 0.59 0.66 73 N C C 129.43 1.48 7.65 10.59 110.51 -120.47 -85.94 129.32 82.65 1.78 15.57 43.47 19.58 20.03 4.92 10.04 0.00 0.77 1.17 74 N C C 123.96 1.75 8.00 11.14 108.13 -155.80 -92.75 91.63 73.55 2.44 24.01 38.36 20.13 15.70 10.16 12.97 0.02 1.02 1.64 75 R C C 168.31 2.10 7.64 11.27 107.17 143.93 -85.54 76.78 59.87 2.18 37.95 27.56 14.51 18.66 19.71 17.20 0.05 1.00 1.29 76 S C C 87.54 1.68 8.33 11.29 106.96 60.53 -85.73 63.23 57.69 2.47 39.84 27.15 12.08 19.16 20.84 18.17 0.06 1.23 1.32 77 S C C 82.45 2.43 7.98 12.06 108.68 66.07 -92.39 88.41 56.43 3.45 40.13 30.30 12.37 14.42 21.81 17.67 0.07 1.77 1.61 78 Q C C 134.52 2.08 8.00 11.70 111.00 138.32 -94.86 109.74 58.93 6.35 34.72 31.28 13.35 15.40 19.88 13.87 0.14 3.45 2.64 79 F C C 154.31 2.23 7.29 11.31 113.47 91.55 -96.68 125.75 59.79 8.44 31.77 28.71 13.30 19.29 18.14 12.16 0.25 4.51 3.63 80 G C C 57.00 1.88 8.31 11.58 114.64 -155.85 -103.15 154.47 67.42 4.71 27.86 27.95 14.87 26.23 13.02 13.36 0.08 2.61 1.88 81 S C C 91.08 1.49 7.83 10.59 111.51 -112.46 -94.98 117.30 66.78 6.23 26.99 31.67 17.71 19.30 9.93 15.54 0.09 3.60 2.16 82 L C C 131.90 1.85 6.18 9.75 111.46 -159.05 -92.14 119.49 66.04 11.63 22.33 41.33 12.85 13.36 7.17 14.14 0.07 7.97 3.12 83 E C C 151.81 1.31 7.23 10.00 114.92 -156.93 -97.64 128.08 80.65 8.49 10.87 70.74 2.49 8.54 4.54 4.79 0.00 6.32 2.57 84 F C C 148.41 3.42 8.77 14.17 113.91 -153.05 -94.52 128.09 99.63 0.33 0.04 99.50 0.16 0.07 0.02 0.01 0.00 0.20 0.04