# 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 E C C 137.14 3.20 18.30 22.41 114.33 -146.46 -90.77 128.23 99.56 0.43 0.01 99.50 0.17 0.03 0.00 0.00 0.00 0.23 0.06 1 I C C 43.20 17.35 9.22 25.90 119.32 -160.66 -103.90 132.25 94.29 5.45 0.26 95.12 0.39 0.13 0.10 0.06 0.00 2.12 2.07 2 D C C 77.56 3.91 18.23 22.59 112.43 -154.32 -101.61 118.30 95.01 4.36 0.63 94.02 1.16 0.39 0.20 0.25 0.00 1.63 2.35 3 Y C T 95.09 14.33 10.24 24.71 93.15 -154.95 -66.92 -19.72 74.61 0.28 25.11 2.75 5.71 65.31 2.20 23.71 0.00 0.15 0.17 4 K C T 153.19 1.81 15.65 17.75 92.80 64.24 -77.46 -14.95 74.57 0.24 25.19 2.15 6.26 65.50 2.60 23.17 0.00 0.12 0.19 5 D C C 69.55 5.89 13.52 21.03 105.43 64.12 -107.42 79.24 76.26 1.84 21.90 56.07 11.39 7.67 4.67 18.18 0.00 0.77 1.25 6 I H H 65.60 13.42 10.91 24.69 94.07 169.11 -64.12 -35.05 6.69 0.06 93.25 2.69 1.03 3.11 84.96 8.15 0.00 0.02 0.03 7 A H H 70.75 1.96 17.59 19.10 91.77 59.30 -63.60 -39.26 2.75 0.01 97.24 0.26 0.22 2.03 86.91 10.56 0.00 0.01 0.00 8 T H H 50.90 6.45 16.70 24.67 92.43 50.76 -66.13 -39.75 1.67 0.01 98.32 0.16 0.13 1.25 88.27 10.19 0.00 0.01 0.00 9 L H H 13.21 21.87 11.88 33.40 91.91 52.49 -65.26 -39.05 1.72 0.01 98.27 0.19 0.14 1.22 89.46 8.97 0.00 0.01 0.00 10 K H H 114.45 8.20 18.12 27.25 91.07 58.08 -64.12 -32.22 9.20 0.04 90.77 0.42 0.46 7.62 67.98 23.46 0.02 0.02 0.02 11 N H H 111.62 2.10 21.62 22.91 91.59 56.45 -74.37 -19.16 34.40 0.05 65.55 0.62 1.28 32.54 44.34 21.13 0.03 0.03 0.05 12 Y C T 45.91 16.31 15.12 31.72 96.53 51.13 -97.17 -6.86 51.67 0.39 47.94 2.99 4.38 42.75 27.85 21.48 0.05 0.22 0.28 13 I E B 34.62 17.50 11.32 28.87 122.33 89.21 -99.39 138.52 6.22 93.60 0.18 3.51 0.67 0.02 0.17 0.01 0.00 8.72 86.89 14 T C C 49.00 6.59 14.03 22.48 123.68 -134.76 -82.26 172.40 96.19 3.71 0.09 96.79 0.30 0.08 0.03 0.02 0.00 2.03 0.74 15 E C T 167.85 1.00 13.02 14.33 90.16 -91.20 -62.83 -22.42 98.98 0.52 0.50 0.49 3.24 95.49 0.06 0.30 0.00 0.32 0.10 16 S C T 83.36 1.44 15.11 16.00 92.87 56.52 -86.34 -2.66 99.49 0.10 0.42 0.23 3.09 96.28 0.02 0.30 0.00 0.05 0.02 17 G C S 24.61 13.33 11.86 25.48 95.78 -106.87 84.23 7.63 99.54 0.27 0.19 10.91 87.76 0.99 0.02 0.12 0.00 0.10 0.10 18 K C C 105.73 4.12 20.01 25.03 119.97 135.67 -85.48 145.44 94.98 4.95 0.07 78.44 16.69 0.22 0.03 0.04 0.00 2.62 1.96 19 I E B 44.29 18.44 13.49 31.64 112.64 -114.91 -79.95 129.54 7.47 92.45 0.07 5.39 0.47 0.02 0.08 0.01 0.00 13.09 80.94 20 V C C 44.54 11.37 16.42 29.20 116.65 -141.47 -92.61 132.13 92.33 7.59 0.09 91.30 1.54 0.08 0.04 0.03 0.00 6.43 0.58 21 P C C 53.52 8.42 16.61 26.35 113.64 -107.38 -66.57 147.16 90.98 3.98 5.04 87.11 2.90 1.62 2.45 2.13 0.00 2.58 1.21 22 S C G 65.67 8.88 12.53 22.49 93.88 -124.76 -64.85 -23.52 58.90 1.35 39.76 18.69 14.25 26.50 11.19 27.91 0.02 0.68 0.76 23 R C G 173.06 1.62 15.52 17.17 94.16 66.83 -78.64 -9.84 53.81 2.95 43.24 17.17 12.43 25.58 14.44 27.33 0.09 1.59 1.38 24 I C C 79.34 9.32 10.45 20.72 102.26 66.79 -89.96 14.64 57.69 4.68 37.63 30.38 15.87 12.83 16.22 20.10 0.07 2.30 2.23 25 T C C 75.07 8.01 10.55 19.63 109.02 95.73 -94.28 91.17 78.31 3.44 18.25 44.55 18.28 15.43 13.33 4.92 0.02 1.52 1.95 26 G C S 61.34 1.30 14.15 15.43 101.29 0.67 81.99 -1.70 83.86 1.42 14.72 20.45 38.30 26.01 8.86 4.86 0.02 0.61 0.90 27 T C S 67.29 7.48 9.46 18.46 117.16 99.46 -94.59 150.21 81.19 2.12 16.69 29.23 37.25 15.05 12.33 4.00 0.03 0.84 1.27 28 R C C 137.90 2.83 14.21 17.62 114.16 -105.78 -77.32 151.05 78.28 3.12 18.60 63.24 9.26 4.64 17.12 2.56 0.00 1.17 2.00 29 A H H 68.23 4.68 12.06 18.49 93.89 -112.99 -59.61 -39.39 3.74 0.02 96.24 1.26 0.70 1.61 95.68 0.74 0.00 0.01 0.01 30 K H H 136.94 1.40 16.28 16.94 92.31 52.43 -64.99 -40.27 1.74 0.01 98.25 0.40 0.19 1.00 97.73 0.67 0.00 0.00 0.00 31 Y H H 92.82 6.72 15.38 23.54 92.62 48.11 -66.78 -40.45 0.79 0.00 99.20 0.21 0.08 0.41 98.76 0.54 0.00 0.00 0.00 32 Q H H 49.34 12.50 14.10 27.44 92.05 52.30 -63.13 -41.75 0.30 0.00 99.70 0.07 0.02 0.14 99.65 0.12 0.00 0.00 0.00 33 R H H 132.24 2.92 20.35 23.16 91.82 50.16 -64.53 -41.08 0.20 0.00 99.80 0.03 0.01 0.11 99.79 0.05 0.00 0.00 0.00 34 Q H H 89.03 4.20 20.95 25.21 91.80 49.72 -64.99 -41.33 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 35 L H H 33.30 15.17 17.66 33.12 92.25 49.90 -64.94 -41.75 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 36 A H H 33.08 9.92 19.59 30.56 91.73 51.74 -63.34 -41.70 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 37 R H H 127.64 2.57 23.89 25.39 91.93 49.82 -64.37 -41.72 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 38 A H H 27.11 9.27 19.71 30.46 91.66 50.62 -64.04 -42.34 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 39 I H H 31.50 15.91 18.12 34.19 92.07 49.65 -64.27 -42.21 0.14 0.00 99.86 0.02 0.00 0.09 99.85 0.04 0.00 0.00 0.00 40 K H H 100.56 5.55 21.83 27.77 91.58 50.59 -63.40 -41.68 0.18 0.00 99.82 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 41 R H H 119.15 3.15 21.58 24.32 91.81 49.56 -64.55 -41.37 0.25 0.00 99.75 0.02 0.01 0.18 99.70 0.09 0.00 0.00 0.00 42 A H H 17.08 11.72 15.06 28.72 91.56 51.14 -63.91 -41.80 0.37 0.00 99.63 0.03 0.02 0.25 99.46 0.23 0.00 0.00 0.00 43 R H H 96.90 8.93 16.00 25.86 92.01 50.79 -64.09 -40.68 0.79 0.00 99.21 0.06 0.04 0.63 98.81 0.46 0.00 0.00 0.00 44 Y H H 146.47 2.35 16.13 18.71 92.49 49.17 -66.43 -37.73 1.61 0.00 98.39 0.09 0.07 1.39 97.91 0.54 0.00 0.00 0.00 45 L H H 98.01 3.56 13.85 18.46 94.06 50.19 -77.56 -24.81 9.76 0.01 90.23 0.24 0.36 9.68 88.70 0.98 0.02 0.00 0.01 46 S C T 76.86 4.00 13.82 18.93 97.31 -28.33 -57.47 -4.74 56.57 0.04 43.38 0.66 1.53 53.97 42.56 1.23 0.01 0.01 0.04 47 L C T 100.09 4.50 13.38 19.14 98.94 79.85 -91.00 -7.83 74.82 0.33 24.85 5.51 9.51 57.62 24.96 1.98 0.02 0.11 0.28 48 L C S 66.43 9.70 8.98 19.86 117.07 90.47 -94.99 131.22 93.97 1.24 4.79 42.05 48.09 4.01 2.87 1.65 0.00 0.45 0.90 49 P C C 92.10 3.18 12.81 17.29 106.50 -127.54 -68.62 118.31 91.48 0.97 7.55 66.57 12.86 11.76 2.34 5.44 0.00 0.52 0.52 50 Y C C 152.70 4.47 9.89 16.11 108.89 114.12 -92.96 106.53 82.28 4.65 13.08 56.43 12.54 12.74 4.48 8.77 0.00 2.29 2.73 51 T C C 84.82 4.66 8.91 15.39 115.57 152.74 -103.82 133.46 83.60 3.01 13.40 53.77 15.64 14.11 4.02 9.45 0.00 1.64 1.37 52 D C C 113.21 2.36 8.74 12.77 107.33 -147.43 -89.94 83.71 86.36 2.03 11.61 50.89 18.54 16.92 2.77 8.88 0.00 1.08 0.91 53 R C C 169.29 2.25 8.19 12.25 110.04 129.22 -92.67 116.92 93.29 1.13 5.57 82.15 2.72 9.46 1.69 2.81 0.00 0.66 0.51 54 H C C 139.52 3.23 9.48 14.63 112.39 -155.01 -93.86 125.61 99.90 0.06 0.04 99.71 0.12 0.10 0.02 0.00 0.00 0.03 0.01