# 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 Q C C 131.91 2.58 10.24 14.60 113.72 -155.09 -93.64 131.21 99.92 0.06 0.02 99.84 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 Q C C 137.21 2.11 8.33 12.25 114.81 -145.29 -95.08 128.31 93.68 3.49 2.84 91.80 1.00 1.76 1.24 0.84 0.00 1.62 1.74 2 L C C 119.79 3.10 7.18 12.23 113.55 -150.16 -94.60 128.37 85.90 6.04 8.06 65.82 11.61 8.01 2.86 5.34 0.00 3.63 2.73 3 Y C C 165.40 2.80 8.47 12.96 113.16 -160.49 -100.31 127.28 81.02 7.83 11.15 53.12 15.80 11.90 3.44 7.86 0.01 4.76 3.12 4 W C C 172.56 3.83 8.91 14.50 113.83 -162.39 -99.54 121.80 80.36 7.50 12.14 51.49 16.72 11.98 4.34 7.90 0.01 4.45 3.12 5 S C C 72.28 4.51 9.45 15.68 112.54 136.62 -93.27 130.18 82.57 5.69 11.75 56.81 17.38 8.01 5.93 5.83 0.00 2.94 3.10 6 H C C 109.23 5.35 9.41 16.57 116.33 -121.03 -97.77 134.33 81.15 2.79 16.06 52.51 21.57 7.16 9.31 6.44 0.00 1.22 1.79 7 P C C 93.88 3.72 10.75 16.08 106.09 -111.25 -68.06 134.96 68.02 1.81 30.16 41.29 10.32 16.08 10.08 20.37 0.00 1.00 0.86 8 R C C 161.73 3.45 9.67 14.75 105.66 -118.44 -79.98 72.67 65.04 2.35 32.61 31.54 14.11 19.96 9.94 22.05 0.02 1.17 1.21 9 K C C 148.04 2.43 11.74 15.37 104.49 62.89 -86.86 15.84 66.07 4.23 29.71 32.98 16.84 17.39 9.62 18.88 0.04 2.01 2.25 10 F C C 119.82 6.59 9.28 17.34 117.44 77.29 -101.49 130.59 82.47 5.94 11.59 50.26 22.99 8.45 5.93 5.30 0.02 2.06 4.99 11 G C C 38.47 4.05 12.13 17.70 128.88 166.19 -127.62 175.87 93.77 2.59 3.64 66.44 19.77 6.89 1.06 2.61 0.00 0.94 2.28 12 Q C T 150.12 1.42 12.29 14.48 105.65 -62.89 -67.25 114.43 94.04 0.94 5.02 5.21 10.91 77.36 0.58 4.85 0.00 0.56 0.53 13 G C T 54.03 3.13 14.16 18.02 96.96 27.15 80.61 -0.52 95.82 0.63 3.55 7.09 9.78 78.27 0.34 3.87 0.00 0.41 0.24 14 S C C 43.16 10.39 11.84 23.50 109.03 116.16 -79.87 123.68 93.02 4.43 2.54 76.42 12.60 3.31 0.44 2.55 0.00 2.31 2.36 15 R C C 108.65 8.53 16.71 26.13 123.64 104.02 -113.83 138.87 80.68 18.45 0.87 68.07 10.17 1.61 0.29 0.65 0.00 12.44 6.78 16 S E B 47.20 8.48 18.98 28.19 127.49 -126.69 -108.13 151.09 28.07 71.73 0.19 23.94 1.13 0.06 0.15 0.03 0.00 15.55 59.13 17 C C C 12.67 18.68 11.74 31.10 110.21 -108.59 -70.17 130.65 91.18 8.74 0.08 91.78 0.81 0.08 0.02 0.03 0.00 4.45 2.82 18 R C T 142.88 4.41 18.57 24.10 92.70 -146.18 -70.34 -24.22 99.46 0.38 0.16 0.91 12.44 86.15 0.01 0.15 0.00 0.24 0.10 19 V C T 72.66 7.86 16.05 24.86 100.76 42.71 -87.13 -41.20 99.80 0.11 0.09 0.16 6.35 93.34 0.00 0.07 0.00 0.05 0.03 20 C C T 58.76 6.87 14.25 22.59 105.18 19.06 -112.17 -10.49 99.71 0.19 0.11 0.66 10.41 88.69 0.01 0.09 0.00 0.09 0.05 21 S C C 80.42 3.63 15.49 20.28 95.12 -122.56 74.13 9.92 98.49 1.44 0.07 75.24 19.64 3.55 0.02 0.06 0.00 0.60 0.90 22 N C C 65.63 7.36 13.05 22.41 115.88 137.88 -80.81 138.65 95.30 4.53 0.17 78.85 15.19 0.75 0.05 0.12 0.00 1.62 3.42 23 R C C 148.76 5.86 16.69 23.73 100.46 -141.09 -79.61 -0.97 65.51 33.09 1.40 32.91 24.22 6.07 0.69 0.78 0.03 9.82 25.49 24 H C C 90.18 8.04 18.66 27.22 117.63 84.12 -107.74 139.50 92.77 6.36 0.87 54.03 27.97 10.87 0.24 0.65 0.00 3.35 2.88 25 G C C 11.17 14.00 16.33 31.33 120.06 -132.95 -85.91 154.41 92.89 4.62 2.49 79.88 10.90 1.35 2.12 0.49 0.00 1.48 3.77 26 L H H 39.71 12.42 18.77 32.23 93.86 -119.24 -67.70 -29.14 29.15 3.55 67.30 9.88 14.09 9.00 57.37 4.86 0.72 0.82 3.27 27 I H H 28.09 16.79 14.56 31.59 92.67 57.16 -65.79 -38.29 8.23 5.39 86.38 2.50 2.14 4.67 70.85 14.16 0.68 2.78 2.23 28 R H H 131.32 5.67 16.74 23.50 92.40 51.55 -66.91 -37.43 3.92 1.08 95.00 0.91 0.58 2.51 71.68 22.99 0.03 1.21 0.07 29 K H H 131.29 3.33 16.56 20.71 93.96 49.47 -72.44 -35.68 7.22 0.42 92.36 0.68 0.81 5.38 69.70 22.85 0.10 0.41 0.06 30 Y H H 101.92 8.38 13.77 23.44 99.85 29.95 -104.18 -0.89 25.66 0.36 73.98 1.35 3.01 20.95 56.59 17.50 0.22 0.17 0.22 31 G C T 49.32 3.39 18.13 22.13 97.11 -111.89 77.86 15.57 98.55 0.42 1.03 20.86 10.58 67.31 0.42 0.44 0.00 0.19 0.20 32 L C S 43.26 14.93 13.16 28.33 114.89 128.33 -95.54 131.35 96.06 2.32 1.63 30.35 42.60 23.11 0.23 1.59 0.00 1.29 0.85 33 N C S 87.91 7.04 21.43 29.13 100.00 -134.06 -84.60 42.57 95.43 3.64 0.93 20.89 58.90 15.74 0.10 0.94 0.00 2.73 0.70 34 M C C 29.63 16.13 16.81 33.51 130.93 114.70 -121.86 154.85 60.26 39.31 0.43 41.66 17.06 0.65 0.23 0.21 0.00 10.23 29.96 35 C C C 26.60 11.14 19.62 32.00 119.24 -108.15 -72.59 158.52 84.88 14.99 0.13 86.99 0.60 0.03 0.09 0.02 0.00 7.15 5.12 36 R H H 102.04 11.64 17.31 29.42 91.06 -107.77 -58.42 -39.76 2.55 0.00 97.44 0.18 0.25 1.99 97.02 0.55 0.00 0.00 0.00 37 Q H H 100.65 2.90 21.93 24.25 91.71 53.47 -63.80 -41.00 1.64 0.01 98.35 0.07 0.11 1.45 97.65 0.71 0.00 0.00 0.00 38 C H H 26.82 10.31 18.23 30.16 92.37 48.14 -65.52 -41.37 1.45 0.01 98.54 0.14 0.12 1.14 97.65 0.95 0.00 0.01 0.00 39 F H H 11.61 21.91 13.81 35.73 91.69 51.60 -63.49 -42.81 0.29 0.00 99.71 0.04 0.02 0.19 99.37 0.39 0.00 0.00 0.00 40 R H H 112.84 7.59 18.32 26.75 91.37 51.46 -63.60 -39.56 0.64 0.00 99.36 0.04 0.03 0.53 98.44 0.97 0.00 0.00 0.00 41 Q H H 112.86 1.91 20.75 21.25 92.12 49.47 -68.26 -36.12 2.73 0.00 97.27 0.04 0.07 2.75 96.19 0.95 0.00 0.00 0.00 42 Y H H 69.51 10.41 15.92 27.55 99.68 37.12 -98.86 -14.75 15.71 0.06 84.23 0.65 0.95 14.31 83.14 0.87 0.03 0.02 0.04 43 A H H 13.25 17.98 10.34 28.41 93.04 82.72 -62.70 -40.49 23.79 1.32 74.89 6.79 3.95 13.71 52.13 21.69 0.19 0.53 1.01 44 K H G 144.51 2.24 15.63 18.76 91.65 54.60 -63.99 -37.51 13.46 0.30 86.23 1.56 1.04 10.01 38.09 48.91 0.07 0.22 0.09 45 D H G 113.46 1.57 15.86 17.11 91.53 54.45 -69.10 -25.13 16.06 0.22 83.72 0.99 0.98 13.05 39.38 45.27 0.11 0.14 0.09 46 I H G 68.90 9.95 11.88 22.98 96.82 44.70 -96.44 -0.04 33.28 0.17 66.55 0.96 2.16 29.36 24.62 42.60 0.08 0.08 0.14 47 G C T 51.16 2.37 17.93 20.00 97.59 -103.70 87.15 9.54 99.44 0.09 0.47 3.82 3.69 92.06 0.21 0.14 0.00 0.05 0.02 48 F C C 55.56 15.75 8.33 23.63 120.93 133.51 -91.91 145.93 85.49 14.29 0.22 78.43 6.18 0.81 0.08 0.14 0.00 12.88 1.49 49 I C C 109.22 3.08 16.28 20.41 121.06 -154.31 -113.37 136.01 56.40 43.39 0.21 53.00 2.71 0.45 0.09 0.12 0.00 38.44 5.19 50 K C C 119.85 7.93 11.07 20.55 113.33 -121.06 -78.98 131.89 57.84 41.90 0.26 55.02 1.73 0.53 0.11 0.15 0.00 37.57 4.89 51 L C C 103.39 5.68 9.06 16.39 105.08 -146.70 -85.35 36.49 92.33 7.31 0.35 91.15 0.78 0.93 0.10 0.17 0.00 6.00 0.87 52 D C C 119.44 1.64 12.27 14.64 105.14 -124.72 -86.53 65.37 99.89 0.10 0.01 99.75 0.13 0.05 0.00 0.00 0.00 0.06 0.01