# 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 S C C 73.79 3.92 10.43 16.00 116.70 -164.98 -102.11 136.00 99.85 0.09 0.06 99.67 0.15 0.09 0.02 0.01 0.00 0.04 0.02 1 H C C 144.95 2.42 7.58 11.71 102.67 -153.96 -87.54 5.47 81.09 1.27 17.63 69.08 2.45 11.24 6.52 9.25 0.00 0.69 0.76 2 Q C C 138.13 1.63 7.17 10.26 108.46 93.85 -86.72 109.15 77.17 1.89 20.94 43.06 15.48 19.10 6.06 14.28 0.00 0.93 1.09 3 K C C 164.61 1.09 7.93 9.94 105.84 -140.68 -87.79 54.15 77.60 2.16 20.23 41.93 20.68 15.57 5.89 13.66 0.00 1.02 1.24 4 R C C 173.04 1.73 7.53 10.81 112.86 63.01 -94.41 121.58 84.69 2.89 12.42 53.52 22.30 8.88 5.08 6.89 0.00 1.15 2.17 5 A C C 77.78 2.54 8.58 12.92 117.28 -136.72 -92.11 140.37 97.03 1.33 1.64 69.78 26.30 0.98 1.19 0.42 0.00 0.46 0.87 6 P C C 88.07 4.01 8.81 14.77 113.41 -104.62 -69.31 148.39 95.53 0.98 3.50 85.01 7.79 2.69 2.59 0.84 0.00 0.39 0.69 7 S C C 63.96 2.89 10.06 14.43 116.99 -129.94 -86.71 158.42 90.95 2.13 6.92 81.30 6.71 2.15 6.32 0.91 0.00 0.57 2.04 8 F H H 147.44 2.00 9.97 13.17 92.85 -109.65 -61.24 -36.76 13.67 0.16 86.17 3.96 3.06 7.56 79.50 5.69 0.07 0.08 0.09 9 H H H 128.82 1.94 11.10 13.87 92.87 53.04 -66.59 -37.93 9.26 0.08 90.66 1.61 1.29 6.28 83.55 7.15 0.05 0.04 0.04 10 D H H 87.58 2.54 11.73 15.25 93.25 49.89 -66.83 -38.36 6.17 0.08 93.74 1.41 0.88 3.78 85.23 8.59 0.02 0.05 0.03 11 K H H 131.69 1.85 12.90 15.11 94.25 48.44 -71.40 -37.07 8.61 0.09 91.30 1.25 1.17 6.23 85.56 5.65 0.05 0.05 0.04 12 Y H H 135.80 2.59 12.85 16.15 97.93 41.13 -84.39 -28.00 21.75 0.25 78.00 2.82 3.52 15.99 73.97 3.31 0.13 0.10 0.16 13 G H H 32.31 4.26 12.28 18.15 95.76 56.40 -68.89 -41.07 27.51 0.29 72.19 12.59 4.47 10.99 69.60 2.06 0.02 0.12 0.16 14 N H H 96.29 2.61 13.84 17.07 93.90 50.68 -67.21 -38.95 9.12 0.13 90.75 3.39 1.60 4.48 88.39 2.02 0.02 0.06 0.05 15 A H H 66.73 2.03 14.61 16.71 92.64 51.59 -65.80 -40.24 4.58 0.11 95.31 1.41 0.68 2.57 93.22 2.01 0.02 0.06 0.03 16 I H H 101.37 2.40 14.32 17.11 92.62 49.46 -65.86 -41.50 3.80 0.14 96.06 1.13 0.54 2.22 93.80 2.17 0.02 0.08 0.03 17 L H H 100.42 2.42 14.31 17.24 92.67 49.20 -65.50 -40.74 5.60 0.16 94.24 1.38 0.72 3.56 92.20 1.97 0.04 0.09 0.05 18 A H H 65.05 2.00 15.04 17.00 92.73 49.74 -65.90 -39.62 10.36 0.14 89.50 1.83 1.27 7.31 87.99 1.44 0.04 0.06 0.07 19 G H H 38.02 2.55 14.65 17.70 93.13 51.35 -66.59 -38.27 15.49 0.10 84.41 2.54 1.80 11.10 83.25 1.19 0.03 0.03 0.06 20 G H H 35.78 3.56 14.43 19.03 93.42 52.67 -64.42 -41.91 9.13 0.05 90.82 1.63 1.16 6.18 89.96 1.01 0.01 0.02 0.03 21 A H H 61.85 2.63 15.15 18.19 92.68 50.04 -65.55 -40.71 2.70 0.02 97.27 0.59 0.32 1.61 96.79 0.66 0.01 0.01 0.01 22 I H H 102.02 1.93 15.50 17.24 92.33 49.34 -65.72 -41.46 1.26 0.03 98.71 0.26 0.12 0.78 98.28 0.54 0.00 0.01 0.00 23 F H H 126.32 1.89 15.30 17.01 92.62 48.71 -65.61 -41.65 1.26 0.04 98.71 0.23 0.11 0.84 98.30 0.50 0.00 0.02 0.01 24 C H H 73.17 2.36 14.90 17.57 92.51 48.66 -65.27 -41.47 1.99 0.04 97.96 0.29 0.17 1.46 97.64 0.40 0.01 0.02 0.01 25 V H H 83.42 2.27 15.26 17.65 92.11 49.29 -64.95 -41.89 1.02 0.01 98.96 0.15 0.09 0.69 98.86 0.18 0.00 0.01 0.00 26 S H H 59.21 2.17 15.05 17.36 92.14 49.99 -64.70 -41.50 0.78 0.01 99.22 0.12 0.06 0.52 99.15 0.14 0.00 0.00 0.00 27 T H H 76.72 2.00 15.31 17.15 92.12 49.33 -64.82 -41.79 0.60 0.00 99.40 0.07 0.04 0.45 99.32 0.12 0.00 0.00 0.00 28 W H H 146.80 2.25 15.23 17.62 92.18 49.44 -64.96 -41.38 0.33 0.00 99.67 0.03 0.02 0.23 99.60 0.11 0.00 0.00 0.00 29 T H H 72.50 2.91 14.58 18.15 92.06 50.43 -64.95 -41.44 0.29 0.00 99.71 0.03 0.01 0.20 99.65 0.10 0.00 0.00 0.00 30 Y H H 132.82 1.83 15.23 16.77 92.26 49.55 -64.67 -42.13 0.36 0.00 99.64 0.03 0.02 0.27 99.56 0.13 0.00 0.00 0.00 31 T H H 73.14 2.12 14.70 16.94 92.27 49.01 -65.06 -41.50 0.66 0.01 99.33 0.05 0.03 0.51 99.22 0.17 0.00 0.00 0.00 32 A H H 50.14 3.28 12.09 16.95 92.27 50.12 -64.92 -40.76 1.53 0.01 98.46 0.17 0.11 1.15 97.94 0.62 0.00 0.01 0.00 33 T H H 80.90 2.51 11.61 15.18 92.77 49.67 -66.37 -38.54 4.60 0.03 95.37 0.36 0.29 3.89 93.14 2.29 0.01 0.01 0.01 34 Q H H 140.10 1.00 11.60 12.50 92.43 53.86 -68.52 -27.56 13.86 0.04 86.10 0.52 0.67 13.09 83.58 2.08 0.03 0.02 0.02 35 I C T 123.30 1.45 10.30 12.19 95.93 50.57 -89.02 -5.32 55.30 0.15 44.55 1.27 3.36 50.04 42.70 2.40 0.04 0.05 0.13 36 G C T 62.22 0.84 11.23 11.94 97.49 -111.42 79.69 12.99 98.81 0.22 0.97 15.71 4.52 78.85 0.48 0.25 0.00 0.13 0.06 37 I C C 101.86 3.86 7.11 13.18 115.65 143.04 -94.25 130.44 91.05 7.77 1.18 86.27 3.89 1.11 0.53 0.51 0.00 5.02 2.67 38 E C C 145.58 1.50 10.60 13.31 117.08 -163.31 -105.01 137.70 84.58 11.79 3.63 72.54 7.17 4.39 1.44 2.19 0.00 8.85 3.42 39 W C C 177.44 3.83 8.78 14.46 111.77 -140.82 -92.18 120.77 79.83 12.17 7.99 45.32 18.52 16.99 1.67 6.37 0.03 8.42 2.68 40 N C C 111.48 2.97 9.81 14.44 111.91 -158.33 -102.08 114.18 85.40 8.39 6.21 51.90 17.90 15.94 1.06 5.50 0.01 5.68 2.02 41 M C C 135.08 2.56 9.32 13.58 101.19 -160.32 -86.34 -5.66 86.86 8.26 4.88 45.09 31.33 10.72 1.13 3.80 0.01 4.78 3.13 42 S C C 67.74 3.87 8.71 14.46 116.62 66.23 -100.09 130.91 90.04 9.03 0.93 45.34 43.29 2.03 0.33 0.59 0.00 4.45 3.95 43 P C C 94.88 2.55 9.78 13.87 110.77 -120.31 -70.14 143.22 89.42 6.14 4.45 64.39 14.45 9.87 0.93 4.09 0.00 3.53 2.74 44 V C T 118.21 2.23 8.07 12.05 109.98 -107.10 -74.07 130.67 89.27 3.11 7.62 17.68 15.70 55.39 1.12 6.83 0.00 1.78 1.50 45 G C T 61.60 1.31 10.15 12.01 99.51 16.61 79.36 0.81 90.94 2.16 6.90 22.26 15.39 52.89 0.90 6.45 0.00 1.32 0.78 46 R C C 167.36 1.87 8.66 12.13 110.18 105.05 -90.68 104.97 90.43 4.50 5.07 64.28 18.75 6.63 0.96 4.70 0.00 2.30 2.37 47 V C C 107.10 2.80 8.07 12.72 116.31 109.42 -100.11 131.13 90.25 9.01 0.75 75.54 13.13 1.00 0.36 0.38 0.00 3.45 6.14 48 T C C 91.04 3.09 9.08 14.07 116.99 -146.10 -98.45 133.44 97.50 2.26 0.25 92.09 5.49 0.25 0.14 0.09 0.00 1.27 0.67 49 P C C 81.55 4.38 8.50 14.90 111.39 -110.83 -66.92 147.93 87.93 2.22 9.85 77.74 6.18 4.21 5.91 3.62 0.00 1.20 1.16 50 K C C 146.88 1.92 9.27 12.43 103.61 -116.69 -72.89 -22.17 57.27 0.94 41.78 33.60 10.70 13.15 19.85 21.73 0.01 0.44 0.53 51 E H G 136.26 1.59 9.22 11.70 100.18 20.70 -73.19 -16.79 48.34 1.31 50.35 27.03 7.97 13.42 22.49 27.82 0.01 0.69 0.56 52 W H G 161.82 3.19 7.13 12.03 97.94 68.05 -74.49 -17.64 39.92 1.29 58.79 22.52 6.37 11.18 23.88 34.86 0.01 0.68 0.50 53 R C G 162.99 2.08 7.43 11.07 100.47 72.05 -78.48 -10.27 49.69 1.53 48.78 24.57 9.49 15.96 22.34 26.12 0.02 0.74 0.76 54 D C C 115.97 1.44 7.74 10.42 103.43 74.47 -83.56 34.68 68.05 0.88 31.07 48.05 3.41 18.40 13.82 15.36 0.00 0.46 0.51 55 Q C C 134.48 2.31 9.61 13.45 106.56 121.55 -84.50 67.97 99.60 0.04 0.36 98.79 0.34 0.53 0.26 0.04 0.00 0.02 0.02