# 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 K C C 149.71 2.47 13.15 17.01 115.23 -140.09 -92.35 132.78 99.36 0.60 0.04 99.25 0.22 0.06 0.02 0.01 0.00 0.36 0.09 1 V C C 96.75 5.90 8.31 15.98 116.06 -145.74 -94.70 128.72 88.11 8.87 3.02 84.94 1.63 1.99 1.92 0.87 0.00 4.66 4.00 2 H C C 140.13 2.45 9.85 13.86 116.01 -162.86 -101.66 131.40 82.17 9.91 7.91 54.91 13.40 13.84 4.67 3.15 0.02 5.71 4.30 3 G C C 46.22 3.33 12.14 16.68 118.29 19.21 98.15 -167.82 78.35 4.51 17.14 33.20 26.57 19.63 11.11 5.25 0.05 2.19 2.00 4 S C C 64.36 3.97 11.97 17.11 114.35 -52.15 -87.66 148.75 56.79 3.51 39.70 31.61 17.01 10.44 29.18 8.31 0.12 1.51 1.81 5 L H H 92.60 6.10 10.50 18.06 95.11 -114.12 -66.81 -30.45 28.89 1.94 69.17 9.17 6.25 13.73 43.04 25.70 0.27 1.14 0.69 6 A H H 62.04 4.54 11.51 17.65 93.42 60.69 -66.98 -33.84 24.93 2.09 72.98 7.46 4.45 12.38 45.60 27.93 0.21 1.44 0.54 7 R H H 164.04 1.83 12.84 15.09 94.89 54.65 -77.06 -18.25 28.08 2.31 69.60 8.07 5.35 14.04 42.14 27.89 0.32 1.42 0.76 8 A C T 64.15 4.64 9.91 16.21 98.38 67.46 -79.96 -3.76 54.81 1.89 43.30 7.22 8.95 36.80 29.06 15.19 0.43 1.01 1.33 9 G C T 53.23 2.92 12.55 16.61 99.92 -100.46 80.69 7.15 76.78 1.74 21.49 13.29 12.70 50.25 13.26 8.53 0.05 0.95 0.98 10 K C C 133.44 3.17 11.28 15.95 106.89 114.19 -92.18 67.80 74.51 8.63 16.86 46.82 13.45 13.41 9.25 7.81 0.05 4.32 4.89 11 V C C 78.68 6.39 7.45 15.42 115.32 87.03 -101.97 124.19 74.95 14.43 10.63 52.45 13.66 6.89 6.94 3.94 0.04 6.00 10.07 12 R C T 186.63 1.26 10.12 12.35 109.01 -117.72 -71.01 124.97 84.26 6.65 9.09 14.23 11.24 58.55 4.27 4.59 0.04 3.90 3.18 13 G C T 67.25 0.55 10.77 10.48 99.11 2.41 75.64 1.77 92.64 1.24 6.12 8.77 15.35 68.63 1.72 4.23 0.00 0.80 0.49 14 Q C C 124.69 2.42 8.44 12.71 115.09 98.37 -104.27 137.78 90.00 5.00 5.00 45.48 33.16 11.08 1.67 3.14 0.00 2.00 3.46 15 T C C 101.27 2.36 9.04 13.24 116.31 -118.65 -93.40 132.45 94.46 4.08 1.46 74.01 19.18 1.01 1.10 0.45 0.00 1.86 2.38 16 P C C 81.70 5.38 8.45 15.76 114.38 -107.86 -67.93 149.27 91.08 2.83 6.10 77.79 8.23 4.74 4.26 2.02 0.00 1.80 1.16 17 K C C 162.49 1.29 11.03 13.27 113.55 -120.97 -85.80 131.57 85.37 7.96 6.67 71.70 8.58 3.94 4.90 1.94 0.00 4.06 4.88 18 V C C 93.92 5.40 6.74 13.89 117.78 -155.14 -101.00 135.36 83.12 6.41 10.46 74.53 6.12 1.98 8.80 1.84 0.00 3.53 3.19 19 A C C 76.44 2.02 9.25 12.53 114.40 -117.22 -75.85 149.35 82.70 2.50 14.80 76.00 4.23 2.74 12.07 2.55 0.00 1.56 0.86 20 K C C 165.20 1.22 8.50 10.78 107.27 -112.71 -76.27 128.37 61.13 2.01 36.85 44.89 9.38 7.07 29.21 7.57 0.01 1.16 0.71 21 Q C C 133.32 1.95 7.56 11.10 113.14 -121.85 -91.69 129.33 56.53 1.90 41.57 41.42 8.44 7.06 32.58 8.72 0.01 1.08 0.68 22 E C C 139.37 2.17 7.85 11.60 111.05 -130.91 -85.16 127.83 53.87 1.81 44.32 40.91 7.11 6.37 34.81 9.12 0.01 1.02 0.64 23 K C C 147.88 2.26 7.59 11.53 111.28 -142.89 -89.88 128.18 58.36 1.47 40.17 43.81 7.63 7.10 33.72 6.36 0.01 0.76 0.60 24 K C C 152.39 1.84 7.69 11.07 111.53 -152.73 -91.32 125.23 65.68 1.49 32.83 49.12 8.43 7.69 28.24 5.07 0.01 0.74 0.71 25 K C C 152.06 1.95 7.76 11.39 113.13 -146.84 -90.23 133.14 72.52 1.68 25.80 52.36 11.52 7.76 22.96 3.76 0.00 0.80 0.84 26 K C C 153.94 1.71 8.36 11.59 113.99 -133.61 -91.59 133.40 78.75 2.04 19.21 59.06 11.42 7.17 17.27 3.05 0.00 1.02 1.00 27 K C C 144.53 2.68 7.83 12.46 113.41 -135.59 -89.56 130.97 81.69 2.75 15.55 62.22 12.06 6.01 14.57 2.35 0.00 1.35 1.44 28 T C C 94.71 2.05 8.40 11.95 117.83 -172.19 -109.71 151.33 81.46 2.57 15.97 62.48 12.64 4.94 15.58 1.82 0.00 1.18 1.37 29 G H H 51.17 1.44 11.57 13.02 107.36 -0.39 32.67 -113.75 37.61 0.96 61.43 21.71 11.01 6.66 57.45 2.33 0.02 0.38 0.44 30 R H H 162.70 1.31 11.26 12.65 94.43 5.39 -67.07 -36.27 12.03 0.35 87.62 6.65 2.45 4.38 83.80 2.39 0.02 0.19 0.12 31 A H H 53.60 3.38 10.28 15.42 92.69 54.73 -64.69 -39.12 6.75 0.39 92.86 3.97 1.22 2.57 89.47 2.39 0.02 0.27 0.09 32 K H H 119.77 2.19 12.33 15.22 92.22 51.87 -64.83 -39.96 2.90 0.24 96.87 1.40 0.54 1.28 94.73 1.81 0.01 0.18 0.04 33 R H H 141.59 1.42 13.39 14.52 92.32 50.76 -64.98 -40.76 2.50 0.23 97.26 0.91 0.40 1.35 95.48 1.61 0.02 0.18 0.04 34 R H H 133.20 2.05 12.84 15.42 92.62 50.39 -65.86 -40.33 3.28 0.25 96.46 1.02 0.44 1.99 94.40 1.86 0.03 0.20 0.05 35 M H H 95.49 3.23 11.79 16.35 93.17 50.79 -66.21 -39.67 6.27 0.19 93.54 1.53 0.73 4.14 91.14 2.22 0.05 0.12 0.06 36 Q H H 114.26 1.73 12.64 14.65 93.65 52.22 -66.29 -38.69 15.01 0.24 84.74 2.55 1.50 11.00 82.16 2.45 0.09 0.13 0.12 37 Y H H 145.73 1.70 11.99 13.95 94.47 50.15 -71.42 -35.99 31.90 0.64 67.45 6.36 4.37 21.86 63.35 3.24 0.17 0.28 0.37 38 N H H 89.79 3.31 10.78 15.49 97.33 51.93 -79.72 -20.67 41.29 1.40 57.31 16.86 6.10 19.84 48.57 7.14 0.09 0.73 0.66 39 R H H 145.49 3.06 10.66 15.17 95.34 71.39 -68.50 -24.93 35.02 1.49 63.49 11.54 4.76 17.84 40.48 23.84 0.08 0.93 0.53 40 R H H 158.93 1.88 11.00 13.82 95.28 63.16 -72.75 -24.91 36.40 2.32 61.28 9.62 5.07 20.17 38.14 24.63 0.13 1.56 0.68 41 F H H 137.58 2.63 10.24 14.07 100.76 51.02 -88.18 -9.88 35.27 7.71 57.03 12.56 6.28 16.14 36.19 21.23 0.35 5.35 1.91 42 V C H 97.53 3.70 9.30 14.60 105.01 74.04 -83.35 12.19 46.33 13.69 39.98 18.73 10.58 18.30 29.37 9.73 0.68 9.38 3.23 43 N C C 119.05 1.92 10.63 13.51 102.73 50.15 -89.91 32.26 63.77 10.92 25.31 27.76 11.76 24.75 18.18 7.05 0.16 8.32 2.01 44 V C C 103.61 3.05 9.21 13.97 112.49 98.74 -94.35 117.27 71.46 12.60 15.94 45.85 17.70 7.78 12.31 4.10 0.08 7.82 4.35 45 V C C 102.80 2.81 8.74 13.38 116.80 -147.01 -103.10 128.08 84.55 9.28 6.16 63.44 18.25 2.58 4.62 1.88 0.01 5.82 3.41 46 P C C 97.83 2.87 9.03 13.83 113.11 -116.57 -70.50 144.17 83.94 5.22 10.83 66.87 8.69 8.09 5.34 5.57 0.00 3.84 1.61 47 T C C 105.13 2.18 7.98 11.92 113.80 -153.56 -100.25 129.82 81.54 5.57 12.89 51.66 14.48 15.23 5.14 7.79 0.01 3.00 2.69 48 F C T 171.20 1.22 7.84 10.15 110.46 -115.61 -91.23 117.17 83.48 4.65 11.88 31.87 20.75 31.90 3.55 7.47 0.02 2.38 2.05 49 G C C 58.38 1.58 9.20 11.83 109.91 12.53 89.58 -2.12 88.34 4.01 7.66 31.25 26.99 30.83 1.68 5.62 0.00 2.15 1.48 50 K C C 158.49 1.61 9.56 12.45 112.01 -15.74 -92.46 122.50 85.75 7.45 6.80 52.73 22.41 10.60 1.90 4.85 0.01 4.11 3.39 51 K C C 143.79 2.84 8.73 13.58 115.85 -143.22 -93.07 134.37 85.91 10.08 4.01 65.67 12.84 6.74 1.36 2.76 0.00 6.02 4.62 52 K C C 145.59 2.74 9.62 14.31 115.86 -148.85 -97.15 134.80 87.65 9.94 2.41 66.84 15.65 4.18 1.00 1.48 0.00 4.75 6.10 53 G C C 36.14 4.96 9.16 15.84 126.17 -121.36 -100.04 173.95 94.81 2.70 2.49 67.60 22.98 3.90 0.84 1.67 0.00 1.26 1.74 54 P C T 112.98 1.68 10.68 12.99 95.85 -73.16 -66.16 -22.65 79.59 1.18 19.23 19.42 11.64 48.15 2.73 16.82 0.00 0.65 0.58 55 N C T 119.26 1.97 9.57 12.55 99.71 52.26 -88.13 4.98 77.33 1.46 21.21 19.06 11.43 46.88 3.57 17.50 0.01 0.77 0.79 56 A C C 69.05 4.98 7.59 14.24 103.78 109.71 -79.54 30.80 73.23 2.72 24.04 36.33 15.04 22.13 4.06 19.71 0.01 1.27 1.45 57 N C C 124.23 1.83 9.00 12.22 105.45 74.64 -91.91 46.83 86.18 1.96 11.86 60.70 5.40 20.85 3.44 7.49 0.00 1.05 1.07 58 S C C 79.29 3.39 10.05 15.22 109.78 115.90 -88.44 115.75 99.47 0.30 0.23 98.46 0.63 0.49 0.10 0.06 0.00 0.17 0.09