# 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 116.30 5.09 10.36 17.22 115.88 -165.00 -98.96 130.84 99.83 0.15 0.02 99.72 0.14 0.04 0.01 0.00 0.00 0.06 0.03 1 G C C 41.69 3.72 9.86 15.25 123.56 -149.22 -98.67 172.80 94.08 1.32 4.60 91.05 1.30 2.61 2.47 1.19 0.00 0.58 0.81 2 P C C 111.97 2.18 8.67 12.22 100.53 -77.25 -74.73 -14.76 68.59 1.87 29.53 36.78 12.07 19.83 11.44 17.92 0.01 0.90 1.04 3 Q C C 137.89 1.78 8.91 12.00 103.29 70.02 -82.07 11.02 60.97 2.05 36.98 28.77 12.48 20.11 15.28 21.26 0.03 1.01 1.06 4 G C C 49.67 3.44 9.51 14.60 104.02 65.95 -76.78 3.34 57.46 2.45 40.09 34.65 11.36 11.46 18.23 21.97 0.02 1.27 1.04 5 F C C 133.31 4.33 9.16 15.19 108.29 84.18 -91.11 92.82 58.26 4.12 37.62 35.70 11.63 11.09 21.25 16.31 0.05 2.17 1.80 6 Y C C 157.77 3.41 10.05 15.02 108.63 77.39 -91.67 88.45 61.96 5.67 32.37 33.80 13.19 15.38 17.72 14.26 0.12 3.09 2.45 7 W C C 167.19 4.40 10.21 16.15 108.56 64.76 -92.26 89.99 70.02 5.94 24.04 40.72 14.07 15.30 13.25 10.62 0.05 3.18 2.80 8 S C C 73.10 4.53 10.10 16.43 111.31 131.96 -93.51 125.82 80.67 5.23 14.10 52.53 18.86 9.00 8.83 5.25 0.01 2.41 3.11 9 H C C 111.40 5.55 9.47 16.87 118.15 -140.51 -98.09 134.67 88.84 3.05 8.11 56.20 27.89 4.66 5.61 2.46 0.00 1.21 1.96 10 P C C 98.18 3.04 11.74 16.15 109.17 -106.93 -67.63 144.38 78.51 2.27 19.21 55.27 10.68 12.27 8.42 10.92 0.00 1.22 1.23 11 R C C 149.13 4.93 8.96 15.79 112.25 -115.45 -83.80 126.72 75.57 2.74 21.69 49.75 11.70 13.71 8.00 13.87 0.01 1.35 1.61 12 K C C 153.81 2.19 11.90 15.17 101.67 -154.54 -85.27 -10.80 76.07 3.55 20.38 38.92 19.53 18.00 7.22 12.56 0.03 1.62 2.12 13 F C C 131.33 4.52 9.88 16.06 123.16 41.73 -114.94 144.62 81.71 4.87 13.42 38.54 28.07 15.52 5.13 7.32 0.04 1.80 3.59 14 G C C 41.08 3.76 11.95 17.37 128.28 103.43 118.81 176.16 92.90 3.05 4.05 53.07 30.87 8.45 1.02 3.00 0.00 1.07 2.51 15 Q C T 149.57 1.43 12.11 14.30 108.23 -58.10 -68.27 125.40 92.53 1.38 6.09 8.46 13.93 69.11 0.64 6.33 0.00 0.83 0.70 16 G C T 53.57 3.23 14.05 18.11 97.82 24.36 81.26 -0.49 94.65 1.07 4.28 10.67 12.41 70.61 0.40 4.82 0.00 0.69 0.39 17 S C C 42.29 10.40 11.87 23.56 110.89 117.49 -81.64 131.88 91.62 5.50 2.88 74.64 12.69 3.50 0.47 2.98 0.00 2.99 2.75 18 R C C 109.64 8.64 16.73 26.23 119.51 116.73 -110.62 135.86 79.30 19.76 0.94 66.98 9.76 1.62 0.33 0.71 0.00 13.58 7.02 19 S E B 47.77 8.23 19.16 28.12 129.39 -133.78 -111.26 150.70 30.11 69.69 0.20 25.90 1.22 0.06 0.16 0.04 0.00 16.65 55.97 20 C C C 13.04 18.46 11.64 30.79 110.66 -107.86 -70.78 130.67 91.71 8.21 0.08 92.15 0.88 0.10 0.03 0.03 0.00 4.12 2.70 21 R C T 142.53 4.41 18.32 23.85 92.70 -145.37 -70.59 -24.39 99.44 0.38 0.19 0.88 14.01 84.58 0.01 0.17 0.00 0.23 0.11 22 V C T 74.86 7.36 15.97 24.33 101.03 42.40 -87.27 -41.39 99.75 0.14 0.11 0.16 7.28 92.36 0.00 0.08 0.00 0.07 0.04 23 C C T 60.02 6.52 14.05 22.07 105.35 19.03 -112.40 -10.89 99.68 0.20 0.12 0.79 11.47 87.46 0.01 0.11 0.00 0.11 0.06 24 S C C 81.27 3.53 15.34 20.02 95.02 -123.33 73.68 9.40 98.60 1.33 0.08 74.88 20.14 3.48 0.02 0.06 0.00 0.51 0.91 25 N C C 67.21 7.08 12.90 22.01 114.62 138.20 -80.95 136.72 95.59 4.23 0.18 79.79 14.50 0.77 0.06 0.12 0.00 1.47 3.29 26 R C C 149.67 5.75 16.45 23.44 99.06 -143.66 -78.18 -5.12 66.26 32.39 1.34 31.62 25.82 7.09 0.59 0.82 0.03 10.32 23.70 27 H C C 93.64 7.60 18.31 26.53 113.57 78.35 -107.05 120.09 91.33 7.85 0.82 54.49 24.91 12.06 0.21 0.64 0.00 4.30 3.38 28 G C C 12.02 14.04 15.67 30.56 122.96 -131.13 -87.67 159.54 91.47 4.98 3.55 77.23 11.48 1.78 2.80 0.82 0.00 1.77 4.12 29 L H H 48.13 11.02 18.93 31.02 93.50 -116.03 -67.69 -28.58 43.24 2.72 54.03 9.32 19.75 16.91 40.80 9.30 0.81 0.97 2.14 30 I H H 25.44 17.29 13.95 31.47 92.93 57.09 -67.25 -36.26 15.23 7.25 77.51 3.86 3.97 8.87 53.36 21.06 2.29 3.13 3.47 31 R H H 130.61 6.08 16.10 23.40 92.00 55.68 -65.33 -37.46 6.37 0.97 92.66 1.81 1.05 3.69 53.89 38.44 0.04 0.96 0.12 32 K H H 139.53 2.54 16.46 19.62 92.14 52.51 -69.17 -32.23 10.61 0.48 88.91 1.07 1.18 7.76 48.13 41.27 0.14 0.35 0.11 33 Y H G 102.64 8.53 13.56 23.34 98.27 37.51 -100.76 2.57 30.03 0.26 69.71 1.08 2.38 25.99 30.45 39.62 0.16 0.14 0.18 34 G C T 51.31 2.89 18.53 21.70 96.05 -110.28 79.39 14.31 99.37 0.12 0.51 7.56 5.08 86.85 0.19 0.21 0.00 0.07 0.04 35 L C C 38.11 16.11 11.67 27.93 115.42 134.44 -95.72 131.24 96.67 2.61 0.72 77.27 14.66 4.41 0.18 0.62 0.00 1.22 1.63 36 N C S 92.98 6.31 21.16 28.20 98.59 -153.96 -96.81 20.77 97.45 2.24 0.30 23.48 70.55 3.64 0.05 0.27 0.00 1.49 0.50 37 M C S 38.61 14.48 17.37 32.52 131.83 91.45 -116.69 155.75 73.19 26.43 0.39 35.90 38.18 0.73 0.23 0.16 0.00 7.28 17.51 38 C C C 28.15 11.13 19.53 31.86 118.43 -104.30 -71.55 157.06 86.47 13.34 0.19 87.50 0.78 0.04 0.15 0.02 0.00 6.13 5.38 39 R H H 100.02 11.90 17.06 29.45 91.02 -111.34 -58.35 -39.43 1.86 0.00 98.14 0.16 0.18 1.35 98.01 0.30 0.00 0.00 0.00 40 Q H H 100.92 2.97 22.15 24.62 91.61 53.76 -63.80 -40.89 1.03 0.00 98.96 0.05 0.06 0.87 98.71 0.30 0.00 0.00 0.00 41 C H H 28.47 9.85 18.71 30.16 91.78 48.46 -65.05 -41.68 0.67 0.00 99.33 0.07 0.05 0.50 99.04 0.34 0.00 0.00 0.00 42 F H H 12.88 21.39 14.60 36.04 91.51 51.32 -63.23 -43.53 0.10 0.00 99.90 0.01 0.01 0.07 99.79 0.13 0.00 0.00 0.00 43 R H H 107.87 7.70 19.05 27.53 91.66 50.63 -63.75 -40.87 0.24 0.00 99.76 0.01 0.01 0.19 99.50 0.28 0.00 0.00 0.00 44 Q H H 103.59 2.09 21.45 22.07 91.96 49.28 -65.91 -41.10 1.20 0.00 98.80 0.03 0.03 1.16 98.38 0.40 0.00 0.00 0.00 45 Y H H 60.61 10.59 16.88 28.65 94.28 43.85 -72.43 -36.93 6.77 0.02 93.21 0.39 0.47 5.77 92.79 0.55 0.01 0.01 0.02 46 A H H 12.66 16.70 11.64 28.97 92.20 58.31 -62.33 -41.41 10.70 0.15 89.15 1.79 1.17 7.43 81.04 8.34 0.07 0.07 0.08 47 K H H 138.66 2.43 16.02 19.25 91.77 52.45 -64.07 -38.69 8.48 0.09 91.43 0.93 0.58 6.09 71.81 20.48 0.02 0.06 0.03 48 D H H 109.20 1.94 15.72 17.66 91.74 54.15 -68.33 -26.09 13.90 0.08 86.01 0.74 0.71 11.62 67.91 18.88 0.05 0.04 0.04 49 I H T 73.26 8.95 12.03 22.31 96.27 45.90 -94.71 -0.31 46.51 0.15 53.34 0.95 2.16 43.41 34.94 18.31 0.05 0.06 0.12 50 G C T 53.09 2.05 17.27 18.95 97.52 -102.61 87.50 10.05 99.55 0.05 0.40 3.13 2.94 93.59 0.22 0.08 0.00 0.03 0.01 51 F C C 64.66 14.05 8.30 22.21 120.60 132.76 -92.52 145.74 89.38 10.44 0.18 81.92 6.61 0.68 0.07 0.11 0.00 9.65 0.96 52 I C C 112.16 2.91 15.35 19.40 119.35 -149.13 -109.07 134.65 59.13 40.68 0.19 55.80 2.74 0.42 0.08 0.11 0.00 35.95 4.90 53 K C C 120.04 7.66 10.57 19.85 113.44 -125.66 -81.16 131.46 59.85 39.92 0.24 57.62 1.53 0.50 0.10 0.12 0.00 35.21 4.92 54 L C C 106.54 5.09 9.03 15.84 105.91 -148.07 -87.38 28.40 91.82 7.86 0.32 90.72 0.75 0.97 0.09 0.15 0.00 6.38 0.93 55 D C C 118.98 1.69 12.02 14.53 106.71 -126.07 -86.35 95.45 99.87 0.12 0.01 99.70 0.15 0.05 0.00 0.00 0.00 0.08 0.01