# 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 133.08 3.05 12.37 16.97 112.10 -149.94 -88.43 126.63 99.88 0.09 0.04 99.74 0.12 0.06 0.02 0.00 0.00 0.04 0.02 1 N C C 103.15 4.13 9.55 15.47 110.00 -143.22 -91.37 114.84 92.90 1.97 5.14 90.49 1.01 2.63 2.43 1.47 0.00 0.94 1.03 2 V C C 93.65 4.63 9.03 15.28 100.66 -172.65 -81.02 -14.27 72.48 4.67 22.84 44.68 12.17 15.90 6.74 15.83 0.01 2.64 2.02 3 W C C 160.03 4.58 9.84 15.87 99.32 78.99 -77.79 -17.82 67.70 5.81 26.49 32.53 15.23 21.32 6.87 18.51 0.03 3.42 2.10 4 F C C 133.54 4.44 10.41 16.32 101.26 54.10 -90.35 7.83 68.61 6.15 25.24 38.64 15.02 15.50 7.35 17.51 0.02 3.62 2.33 5 S C C 71.69 4.50 10.52 16.60 104.87 101.96 -86.63 19.04 79.53 4.95 15.52 49.53 20.21 9.77 6.90 8.42 0.01 2.54 2.62 6 H C C 115.70 4.67 10.26 16.82 118.15 96.72 -100.67 135.44 91.99 3.43 4.57 49.02 40.40 2.73 3.30 1.24 0.00 1.37 1.95 7 P C C 90.34 4.21 11.60 17.48 112.00 -103.08 -66.85 146.84 85.98 3.01 11.02 68.32 9.17 8.13 5.51 5.58 0.00 1.63 1.66 8 R C C 138.20 6.62 8.99 17.14 113.43 -125.29 -84.69 132.90 83.27 3.57 13.16 53.64 16.18 12.86 5.20 8.11 0.00 1.65 2.35 9 R C C 180.29 1.69 12.54 14.89 101.52 -159.21 -85.88 -4.83 83.19 4.61 12.20 39.83 26.47 17.15 4.51 7.20 0.02 1.99 2.82 10 Y C C 146.69 4.09 9.74 15.55 118.51 43.50 -107.71 137.92 85.86 5.76 8.38 41.97 29.93 13.86 3.00 4.89 0.02 2.19 4.14 11 G C C 39.99 3.74 11.63 16.91 128.15 61.00 137.42 -176.76 92.27 3.62 4.11 49.70 34.27 7.69 0.96 3.15 0.00 1.32 2.90 12 K C T 169.40 1.15 12.49 13.94 107.07 -51.24 -66.54 123.58 89.53 1.19 9.28 5.78 10.95 71.29 0.77 9.85 0.00 0.71 0.64 13 G C T 53.50 3.13 13.55 17.66 97.21 22.65 80.50 -1.36 90.82 0.85 8.32 7.42 9.83 71.98 0.69 9.17 0.00 0.53 0.38 14 S C C 40.98 10.09 11.61 23.13 111.00 113.07 -82.14 130.07 89.88 4.08 6.04 68.40 14.76 5.44 1.01 5.95 0.00 1.94 2.50 15 R C C 116.04 8.96 16.69 26.17 103.12 157.43 -101.07 9.85 86.88 11.03 2.08 67.57 14.87 3.67 0.67 1.54 0.00 6.39 5.29 16 Q E B 86.76 6.85 20.11 27.78 126.84 99.29 -108.29 148.08 43.12 56.44 0.43 35.40 2.87 0.14 0.30 0.08 0.00 8.98 52.21 17 C C C 12.76 19.09 11.58 31.15 110.77 -110.09 -69.76 131.62 94.04 5.87 0.09 93.97 0.89 0.09 0.03 0.03 0.00 2.35 2.63 18 R C T 139.12 4.84 19.03 24.94 93.01 -145.81 -70.42 -25.86 99.48 0.35 0.18 1.24 16.99 81.31 0.02 0.13 0.00 0.19 0.13 19 V C T 71.35 8.35 16.51 25.68 101.00 42.05 -87.43 -40.83 99.73 0.16 0.11 0.22 9.45 90.13 0.00 0.07 0.00 0.07 0.06 20 C C T 55.33 7.65 14.36 23.49 104.89 19.43 -111.03 -11.91 99.45 0.39 0.17 1.26 14.26 84.02 0.01 0.13 0.00 0.19 0.13 21 S C C 80.40 3.72 16.45 21.34 94.89 -123.02 73.48 9.78 97.70 2.18 0.12 64.20 31.28 2.04 0.04 0.09 0.00 0.76 1.59 22 S C C 44.67 7.73 13.36 23.08 115.62 134.66 -80.79 140.24 95.11 4.59 0.30 68.09 25.03 1.33 0.10 0.21 0.00 1.40 3.85 23 H C C 126.10 6.76 16.37 24.39 99.01 -147.31 -86.10 -0.12 80.10 17.71 2.19 37.07 31.05 10.49 0.77 1.37 0.03 5.26 13.97 24 T C C 69.04 6.92 18.28 25.89 112.93 86.59 -95.01 131.68 94.40 3.75 1.86 46.94 29.35 18.24 0.48 1.33 0.00 1.68 1.99 25 G C C 16.63 12.27 16.51 29.59 122.59 -6.70 -84.85 -5.93 87.71 6.15 6.13 59.29 21.48 6.41 3.25 2.69 0.01 2.58 4.29 26 L C S 51.69 11.14 18.10 30.04 95.51 -102.93 -74.71 -23.98 67.64 17.34 15.01 18.71 38.67 10.07 9.41 4.76 0.49 8.66 9.23 27 I E B 30.29 16.03 13.15 29.51 97.16 62.65 -78.50 -17.29 20.79 52.53 26.67 10.23 6.09 6.26 13.50 11.43 0.62 22.52 29.36 28 R H G 140.96 4.98 14.78 21.37 92.71 69.62 -65.69 -37.79 16.39 4.92 78.69 7.87 2.87 6.93 10.65 66.50 0.03 4.65 0.50 29 K H G 150.45 1.80 14.95 17.21 91.60 53.68 -69.09 -30.51 16.35 1.50 82.15 1.46 2.14 13.00 8.70 73.21 0.08 1.21 0.21 30 Y H G 111.73 7.36 12.79 21.57 97.33 39.16 -100.67 5.73 23.31 0.18 76.51 0.65 1.74 21.09 5.37 70.98 0.00 0.09 0.06 31 G C T 52.64 2.55 17.57 20.31 94.95 -107.52 78.89 13.42 99.34 0.23 0.43 4.14 5.40 89.87 0.07 0.32 0.00 0.15 0.04 32 L C C 39.70 14.93 11.66 27.20 116.11 132.21 -97.31 131.93 85.12 14.44 0.43 72.86 10.35 1.64 0.16 0.33 0.00 7.88 6.78 33 N C C 90.85 6.28 21.14 28.19 100.82 -145.63 -95.37 35.64 86.37 13.40 0.22 43.87 42.12 1.49 0.07 0.17 0.00 10.17 2.10 34 I C C 27.53 16.20 16.68 33.51 129.63 107.17 -118.16 152.69 64.72 34.99 0.29 39.23 25.41 0.49 0.19 0.12 0.00 16.39 18.16 35 C C C 25.04 11.62 19.60 32.58 116.78 -105.86 -70.20 152.54 84.61 15.20 0.18 84.82 1.10 0.06 0.15 0.03 0.00 9.55 4.30 36 R H H 97.64 11.92 17.48 29.90 91.35 -116.40 -58.92 -38.80 1.71 0.01 98.28 0.25 0.20 1.09 98.10 0.35 0.00 0.00 0.00 37 Q H H 99.82 2.96 22.57 24.95 91.56 53.50 -64.06 -40.67 0.79 0.00 99.21 0.06 0.05 0.61 98.89 0.39 0.00 0.00 0.00 38 C H H 26.04 9.88 18.74 30.35 91.60 49.32 -65.03 -41.90 0.49 0.00 99.50 0.07 0.04 0.33 99.08 0.48 0.00 0.00 0.00 39 F H H 15.88 20.53 15.06 35.72 91.81 50.58 -64.02 -42.96 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 40 R H H 110.01 7.53 19.43 27.66 91.49 51.09 -63.24 -41.90 0.15 0.00 99.85 0.01 0.01 0.11 99.80 0.08 0.00 0.00 0.00 41 E H H 109.52 1.93 21.71 21.99 91.93 48.91 -65.32 -41.59 0.55 0.00 99.45 0.03 0.02 0.46 99.38 0.11 0.00 0.00 0.00 42 K H H 62.51 9.67 17.55 28.25 92.94 45.43 -69.74 -37.82 2.46 0.01 97.53 0.15 0.15 2.08 97.38 0.24 0.00 0.00 0.00 43 A H H 12.67 15.69 11.70 28.40 91.66 55.00 -62.55 -41.58 5.14 0.06 94.80 1.04 0.55 3.45 92.37 2.51 0.02 0.02 0.03 44 N H H 105.23 2.51 15.86 19.07 91.84 51.11 -64.80 -38.80 6.41 0.06 93.54 0.86 0.42 4.80 86.15 7.72 0.01 0.03 0.02 45 D H H 111.39 1.55 15.53 16.84 91.45 53.42 -68.32 -26.68 14.60 0.06 85.34 0.68 0.66 13.31 79.72 5.53 0.04 0.03 0.03 46 I C T 76.88 8.32 11.44 21.10 95.79 49.26 -92.34 -0.23 59.12 0.10 40.78 0.86 2.25 56.62 35.08 5.01 0.03 0.04 0.10 47 G C T 56.40 1.51 16.28 17.13 97.92 -99.89 87.29 8.99 99.09 0.05 0.86 2.91 3.41 92.94 0.55 0.16 0.00 0.02 0.02 48 F C C 79.01 11.65 8.02 19.90 115.23 128.05 -91.86 128.78 94.45 3.46 2.10 78.89 12.34 2.90 1.04 1.10 0.00 1.80 1.93 49 N C C 107.95 2.91 12.72 16.96 116.48 -152.15 -100.94 134.71 88.31 6.30 5.39 68.44 13.13 6.30 1.76 3.91 0.00 3.91 2.55 50 K C C 132.31 5.04 10.06 16.90 111.08 -137.02 -84.96 125.54 85.98 7.08 6.94 49.21 21.69 14.98 1.30 5.93 0.00 4.54 2.36 51 F C C 138.78 4.15 8.91 14.80 111.22 -115.95 -91.01 114.23 93.34 2.84 3.82 80.70 3.23 9.78 0.78 2.64 0.00 1.94 0.93 52 R C C 165.95 3.01 11.49 16.15 110.99 -153.99 -91.39 115.36 99.84 0.12 0.04 99.66 0.14 0.10 0.01 0.01 0.00 0.06 0.02