# 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 131.28 3.27 12.18 17.09 112.72 -146.97 -88.82 128.10 99.87 0.09 0.03 99.75 0.11 0.06 0.02 0.00 0.00 0.04 0.02 1 N C C 102.60 4.22 9.79 15.80 110.83 -146.96 -92.17 115.63 93.04 2.30 4.66 90.83 0.96 2.41 2.23 1.31 0.00 1.11 1.15 2 V C C 91.54 5.06 9.17 15.83 102.40 -172.86 -84.86 -10.72 73.72 5.20 21.07 47.13 11.91 14.78 6.42 14.55 0.01 3.03 2.17 3 W C C 156.32 4.97 10.15 16.55 99.11 76.96 -78.39 -16.44 68.57 6.32 25.11 34.09 15.42 20.34 6.43 17.70 0.03 3.83 2.17 4 Y C C 146.97 4.49 10.93 16.84 101.39 58.65 -91.14 8.79 69.47 6.29 24.25 39.00 15.32 15.69 6.86 17.03 0.02 3.78 2.29 5 S C C 69.03 5.13 10.82 17.51 104.43 100.34 -87.66 10.43 79.78 4.91 15.31 49.60 20.17 9.98 6.43 8.72 0.01 2.57 2.52 6 H C C 111.88 5.17 10.63 17.66 117.81 93.47 -100.60 135.54 92.87 3.29 3.84 52.10 38.72 2.22 2.83 1.00 0.00 1.33 1.80 7 P C C 87.22 4.68 11.62 18.05 112.21 -104.34 -66.66 146.58 86.81 3.29 9.90 71.56 7.90 6.99 5.08 4.85 0.00 1.79 1.83 8 R C C 141.16 6.24 9.32 17.17 110.99 -126.36 -84.80 133.42 84.49 3.52 12.00 53.32 17.48 13.14 4.91 7.25 0.00 1.61 2.30 9 K C C 162.85 1.48 12.69 14.64 103.64 -147.51 -85.79 5.55 84.15 4.25 11.60 36.14 29.94 18.45 4.22 6.85 0.02 1.86 2.52 10 F C C 129.05 4.84 9.45 15.97 116.47 58.84 -102.34 135.34 86.43 5.37 8.20 40.32 31.16 14.88 2.78 4.95 0.02 2.05 3.84 11 G C C 39.25 3.73 11.82 17.09 128.38 67.95 141.26 -174.94 92.20 3.67 4.13 50.65 33.32 7.62 0.93 3.21 0.00 1.35 2.92 12 K C T 169.44 1.18 12.54 14.06 106.50 -51.08 -66.66 122.14 87.32 1.26 11.42 5.72 10.91 68.91 0.83 12.20 0.00 0.75 0.68 13 G C T 53.27 3.15 13.69 17.82 96.95 23.69 78.55 -1.40 88.71 0.88 10.42 7.06 9.78 70.02 0.74 11.47 0.00 0.54 0.38 14 S C C 41.15 9.87 12.04 23.39 107.93 113.16 -82.12 104.62 87.70 4.41 7.89 66.50 14.34 5.60 1.12 7.84 0.00 2.27 2.33 15 R C C 108.62 9.90 16.38 26.75 103.80 107.57 -98.49 22.15 82.81 15.19 1.99 65.43 13.35 3.07 0.66 1.47 0.00 9.57 6.46 16 Q E B 88.56 6.54 20.27 27.68 126.58 103.10 -111.41 148.24 36.37 63.32 0.31 30.28 1.94 0.09 0.24 0.05 0.00 12.22 55.18 17 C C C 13.22 19.25 11.56 31.27 110.20 -109.26 -68.85 131.52 93.30 6.62 0.07 93.68 0.79 0.07 0.03 0.02 0.00 2.91 2.49 18 R C T 142.17 4.72 18.73 24.66 92.75 -146.55 -69.05 -26.64 99.58 0.24 0.18 0.96 10.49 88.17 0.02 0.13 0.00 0.14 0.09 19 I C T 85.51 7.94 16.40 25.20 100.36 43.00 -85.88 -41.60 99.81 0.08 0.11 0.10 4.01 95.76 0.00 0.06 0.00 0.04 0.03 20 S C T 51.58 6.77 14.91 23.08 102.98 19.09 -109.30 -13.63 99.74 0.12 0.14 0.39 5.59 93.83 0.01 0.09 0.00 0.06 0.03 21 G C C 47.04 4.42 15.44 21.19 96.21 -119.78 80.80 5.24 98.42 1.48 0.10 74.27 22.32 1.67 0.03 0.06 0.00 0.52 1.12 22 S C C 48.62 6.84 14.41 23.18 116.93 136.99 -76.09 143.05 95.92 3.84 0.24 75.36 19.13 0.88 0.08 0.16 0.00 1.26 3.14 23 H C C 122.76 6.89 17.03 25.04 105.60 -126.53 -86.00 71.34 60.28 37.42 2.31 36.97 15.64 4.18 1.10 1.13 0.07 8.01 32.90 24 S C C 45.15 9.70 17.16 27.44 121.62 112.32 -108.48 154.58 91.48 5.72 2.80 56.87 22.54 12.16 0.79 1.98 0.00 2.97 2.69 25 G C C 21.50 10.74 17.72 29.14 122.21 -112.52 -29.28 -22.56 84.76 6.68 8.56 52.26 24.30 8.14 4.57 3.83 0.01 3.28 3.61 26 L C S 58.90 10.44 18.73 29.76 96.64 -78.22 -76.28 -21.25 62.06 20.84 17.11 22.71 29.79 10.09 10.72 5.48 0.70 9.02 11.50 27 I H H 27.95 17.43 12.62 30.03 95.48 64.51 -75.35 -23.09 24.15 37.58 38.27 11.92 7.09 8.14 18.85 16.99 0.72 17.88 18.42 28 R H G 139.42 5.18 14.83 21.62 92.70 66.93 -63.31 -38.35 11.76 2.24 86.00 4.88 1.93 5.76 12.62 72.47 0.03 2.11 0.19 29 K H G 152.75 1.63 15.14 17.09 91.84 55.14 -67.56 -29.20 12.54 0.78 86.68 1.20 1.51 10.06 8.37 78.08 0.07 0.60 0.12 30 Y H G 111.23 7.71 12.98 22.03 96.73 41.20 -98.80 5.76 20.91 0.11 78.98 0.46 1.26 19.69 4.20 74.28 0.00 0.06 0.04 31 G C T 51.07 2.93 18.48 21.60 95.23 -105.87 79.39 14.11 99.59 0.05 0.36 2.18 2.64 94.86 0.05 0.23 0.00 0.03 0.01 32 L C C 31.72 16.95 11.85 29.10 116.76 136.24 -97.21 130.38 92.75 7.04 0.20 87.51 4.82 0.76 0.06 0.15 0.00 4.04 2.67 33 N C C 82.90 6.97 22.31 29.96 103.48 -156.12 -99.89 69.88 88.79 11.11 0.10 61.21 27.71 0.83 0.03 0.09 0.00 8.39 1.74 34 I E C 22.84 17.88 16.63 34.85 131.03 125.37 -125.78 153.12 46.58 53.27 0.15 36.35 9.57 0.20 0.10 0.06 0.00 18.35 35.37 35 D C C 32.98 10.79 20.65 32.44 119.31 -109.42 -73.30 160.12 86.39 13.51 0.10 87.43 0.71 0.02 0.07 0.01 0.00 9.01 2.74 36 R H H 102.88 11.52 17.86 29.85 91.24 -109.32 -58.28 -38.41 0.99 0.00 99.01 0.09 0.08 0.67 98.95 0.21 0.00 0.00 0.00 37 Q H H 98.91 3.05 22.64 25.13 91.60 53.39 -64.48 -41.00 0.48 0.00 99.52 0.03 0.03 0.38 99.34 0.23 0.00 0.00 0.00 38 S H H 18.73 10.91 18.44 31.10 91.48 49.54 -64.79 -42.10 0.28 0.00 99.72 0.03 0.02 0.19 99.49 0.27 0.00 0.00 0.00 39 F H H 18.85 19.93 15.58 35.57 91.91 50.52 -64.06 -43.00 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 40 R H H 110.77 7.18 19.64 27.49 91.47 50.89 -63.54 -42.10 0.14 0.00 99.86 0.01 0.01 0.10 99.82 0.07 0.00 0.00 0.00 41 E H H 107.27 2.13 21.68 22.34 92.04 48.68 -65.56 -41.53 0.57 0.00 99.43 0.03 0.02 0.47 99.38 0.10 0.00 0.00 0.00 42 K H H 62.54 9.61 17.46 28.10 92.91 45.65 -69.38 -37.71 2.58 0.01 97.41 0.19 0.16 2.12 97.25 0.27 0.00 0.00 0.00 43 A H H 13.44 15.24 11.64 27.93 91.65 54.74 -62.74 -41.39 5.61 0.07 94.32 1.19 0.59 3.71 91.08 3.35 0.02 0.03 0.03 44 N H H 106.40 2.46 15.54 18.71 91.86 51.36 -64.64 -38.19 6.77 0.06 93.17 0.91 0.45 5.03 84.73 8.80 0.02 0.04 0.02 45 D H H 112.62 1.45 15.27 16.45 91.39 54.05 -68.62 -26.43 15.81 0.07 84.12 0.74 0.71 14.39 77.60 6.47 0.04 0.03 0.03 46 I C T 81.37 7.67 11.37 20.37 95.61 48.75 -93.06 0.35 60.74 0.11 39.15 0.83 2.02 58.84 33.01 5.13 0.03 0.04 0.10 47 G C T 56.20 1.55 16.04 16.99 97.84 -100.24 86.74 8.79 99.47 0.05 0.49 2.33 2.78 94.50 0.25 0.10 0.00 0.02 0.01 48 F C C 82.31 11.11 8.05 19.62 119.53 128.26 -94.82 140.77 93.12 6.31 0.57 81.64 10.27 1.33 0.26 0.32 0.00 4.43 1.75 49 Y C C 157.80 2.70 12.99 17.17 118.63 -152.19 -107.23 134.90 83.98 15.14 0.88 75.21 6.89 1.56 0.40 0.50 0.00 11.63 3.80 50 K C C 127.61 6.04 9.75 17.60 114.93 -136.25 -88.31 130.49 82.93 15.63 1.44 69.39 8.95 3.90 0.46 1.07 0.00 12.89 3.35 51 Y C C 150.28 4.34 8.92 15.02 112.29 -150.33 -96.61 123.12 93.84 4.79 1.37 87.93 1.93 4.23 0.33 0.91 0.00 3.69 0.98 52 R C C 174.57 2.27 11.41 15.16 108.79 -153.46 -92.84 106.40 99.84 0.14 0.02 99.69 0.13 0.07 0.01 0.00 0.00 0.09 0.01