# 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 106.06 5.89 10.60 18.08 115.63 -158.18 -94.17 134.27 99.81 0.15 0.05 99.71 0.12 0.05 0.02 0.00 0.00 0.07 0.03 1 A C C 68.89 3.15 10.02 14.70 113.89 -143.19 -86.04 151.97 79.33 1.84 18.83 74.73 1.24 4.67 14.99 2.56 0.00 0.85 0.95 2 H C H 135.13 3.34 8.51 13.44 98.76 -118.18 -72.47 -26.17 51.40 2.14 46.45 30.49 9.83 12.14 34.06 11.41 0.03 1.12 0.92 3 E H H 134.66 2.23 10.22 13.71 96.87 64.58 -72.11 -26.72 40.53 1.63 57.84 21.06 8.12 12.02 41.55 15.68 0.04 0.96 0.58 4 N H H 100.43 3.07 10.62 15.13 98.68 58.25 -81.06 -11.01 37.58 1.92 60.49 22.00 7.09 9.36 43.73 15.99 0.03 1.17 0.63 5 V H H 78.52 5.52 9.92 17.13 98.34 68.94 -76.12 -28.98 36.58 3.09 60.33 21.43 7.68 9.62 45.64 12.65 0.08 1.92 0.99 6 W H H 152.95 4.79 11.15 17.42 97.70 60.87 -75.77 -21.74 43.32 4.46 52.22 22.63 8.89 13.84 38.59 11.60 0.14 2.77 1.54 7 F C C 135.66 4.17 11.44 17.02 100.49 56.69 -88.21 6.27 60.16 4.01 35.84 30.94 11.83 18.22 26.76 8.32 0.09 2.17 1.68 8 S C C 69.71 4.88 10.86 17.36 104.78 93.57 -87.08 18.20 77.59 3.63 18.79 43.84 21.18 12.66 13.92 4.82 0.03 1.63 1.93 9 H C C 116.33 4.71 10.57 17.12 118.04 83.85 -101.18 137.09 91.73 2.74 5.53 47.81 39.95 4.11 3.86 1.62 0.00 1.03 1.62 10 P C C 91.52 4.04 11.77 17.47 111.90 -103.10 -67.12 145.55 85.41 2.28 12.31 64.69 9.69 10.80 5.34 6.98 0.00 1.25 1.26 11 R C C 137.36 6.87 9.00 17.35 113.25 -122.78 -82.85 132.98 82.15 3.31 14.54 51.24 16.11 14.58 4.78 9.68 0.01 1.54 2.07 12 R C C 179.06 1.76 12.75 15.17 101.64 -158.52 -87.55 -3.11 82.42 4.53 13.05 42.18 23.88 16.64 4.30 8.21 0.02 1.98 2.79 13 Y C C 144.90 4.46 9.69 15.89 119.56 46.83 -104.64 140.80 86.19 5.28 8.53 47.74 26.18 12.00 3.12 5.00 0.02 2.03 3.92 14 G C C 39.55 3.94 11.53 17.05 128.40 99.08 111.06 -175.79 92.07 3.23 4.70 52.98 30.77 7.69 1.15 3.56 0.00 1.16 2.69 15 K C T 169.76 1.18 12.41 13.89 106.77 -52.76 -66.25 122.84 88.04 1.10 10.85 5.51 10.33 70.54 0.86 11.50 0.00 0.66 0.60 16 G C T 53.80 3.00 13.49 17.43 97.02 24.45 77.93 -1.33 89.11 0.74 10.15 6.79 9.08 71.47 0.77 11.11 0.00 0.45 0.33 17 S C C 41.15 10.15 11.37 22.91 109.38 117.07 -79.33 125.48 88.62 3.62 7.76 67.20 14.40 5.72 1.12 7.68 0.00 1.79 2.09 18 R C C 118.68 8.57 16.57 25.71 102.95 149.84 -100.92 9.11 86.38 11.42 2.19 67.38 14.45 3.77 0.67 1.67 0.00 6.85 5.21 19 Q E B 89.58 6.52 19.77 27.20 126.23 97.19 -109.16 147.60 39.70 59.95 0.36 32.52 2.19 0.11 0.25 0.06 0.00 9.40 55.47 20 C C C 13.52 18.98 11.20 30.60 110.46 -109.99 -69.39 130.48 94.85 5.09 0.07 95.03 0.71 0.07 0.03 0.02 0.00 2.03 2.12 21 R C T 143.74 4.41 18.77 24.26 93.13 -147.13 -70.39 -25.85 99.57 0.29 0.14 1.21 14.36 84.04 0.01 0.11 0.00 0.17 0.10 22 V C T 73.73 7.86 16.37 25.14 100.93 41.79 -87.05 -41.54 99.78 0.13 0.09 0.17 7.21 92.45 0.00 0.06 0.00 0.06 0.04 23 C C T 56.86 7.15 14.40 23.10 103.85 19.43 -109.49 -11.46 99.64 0.23 0.12 0.97 10.68 88.06 0.01 0.10 0.00 0.12 0.07 24 S C C 77.64 4.20 16.01 21.53 95.18 -124.08 74.44 9.86 98.28 1.63 0.09 67.36 28.77 2.01 0.03 0.07 0.00 0.56 1.21 25 S C C 45.65 7.34 14.09 23.39 116.02 133.96 -82.98 141.27 94.77 4.96 0.27 70.54 22.41 1.03 0.09 0.18 0.00 1.44 4.30 26 H C C 118.30 7.97 16.30 25.27 100.40 -143.39 -86.70 3.54 69.18 27.79 3.03 36.83 22.90 7.04 1.33 1.55 0.08 7.12 23.16 27 T C C 66.33 7.73 18.11 26.44 110.94 95.43 -95.31 116.90 91.18 4.87 3.95 46.35 27.88 17.22 1.15 2.63 0.00 2.26 2.52 28 G C C 18.26 11.41 17.19 29.44 119.09 -56.80 -10.76 153.15 83.70 6.31 9.99 50.21 23.56 9.79 5.18 4.54 0.02 3.01 3.69 29 L C S 50.72 11.24 17.82 29.83 95.94 -96.72 -75.12 -25.83 60.48 21.99 17.53 21.41 29.42 10.09 10.96 5.63 0.66 12.44 9.38 30 I E B 32.57 15.62 13.18 29.13 97.37 61.14 -78.76 -18.97 21.31 54.04 24.65 11.77 5.72 5.42 13.62 9.69 0.49 24.46 28.84 31 R H G 141.48 4.84 14.63 21.04 92.76 68.75 -65.52 -37.77 20.39 6.36 73.25 11.58 3.09 6.95 10.67 61.17 0.02 5.79 0.73 32 K H G 151.43 1.74 14.61 16.85 91.76 53.63 -69.14 -30.26 19.71 1.63 78.66 1.75 2.57 15.51 7.91 70.64 0.08 1.30 0.24 33 Y H G 116.89 6.79 12.75 20.96 97.58 38.27 -100.23 5.93 26.98 0.22 72.80 0.76 2.07 24.31 4.71 67.94 0.00 0.12 0.08 34 G C T 52.46 2.66 17.29 20.22 95.05 -107.64 77.26 13.35 99.33 0.23 0.45 5.11 6.18 88.08 0.07 0.36 0.00 0.14 0.05 35 L C C 39.87 14.92 11.50 27.02 115.51 133.18 -95.58 131.15 88.30 11.28 0.41 77.71 8.71 1.63 0.14 0.32 0.00 6.07 5.41 36 N C S 91.10 6.28 20.91 27.97 100.21 -148.71 -96.39 36.93 88.66 11.15 0.19 42.62 45.40 1.61 0.05 0.15 0.00 8.53 1.63 37 I C C 28.97 15.71 16.89 33.33 130.00 103.44 -119.17 153.01 65.59 34.17 0.25 38.44 27.43 0.47 0.15 0.11 0.00 16.09 17.32 38 C C C 24.48 11.91 19.41 32.65 116.72 -105.79 -70.09 152.85 83.55 16.30 0.15 84.30 0.93 0.04 0.12 0.02 0.00 10.12 4.48 39 R H H 96.79 11.90 17.46 29.89 91.47 -115.47 -59.05 -38.76 1.52 0.01 98.47 0.22 0.17 0.96 98.28 0.36 0.00 0.00 0.00 40 Q H H 99.27 3.00 22.36 24.80 91.51 53.21 -64.06 -40.81 0.68 0.00 99.31 0.05 0.05 0.52 98.96 0.42 0.00 0.00 0.00 41 C H H 25.82 9.75 18.51 30.06 91.69 49.06 -65.00 -41.98 0.43 0.00 99.56 0.06 0.04 0.29 99.06 0.55 0.00 0.00 0.00 42 F H H 15.28 20.57 14.56 35.27 91.64 50.35 -63.91 -43.24 0.13 0.00 99.87 0.01 0.01 0.08 99.77 0.12 0.00 0.00 0.00 43 R H H 110.71 7.78 18.74 27.24 91.56 50.91 -63.33 -41.46 0.30 0.00 99.70 0.02 0.01 0.22 99.54 0.20 0.00 0.00 0.00 44 E H H 115.82 1.81 21.15 21.33 91.97 49.04 -65.56 -40.18 1.39 0.00 98.60 0.04 0.04 1.30 98.35 0.27 0.00 0.00 0.00 45 K H H 68.11 9.43 16.80 27.28 97.53 42.16 -89.06 -23.56 7.12 0.02 92.86 0.35 0.44 6.30 92.40 0.48 0.01 0.00 0.01 46 A H H 13.47 16.45 10.89 27.95 92.27 71.78 -62.16 -41.53 12.84 0.35 86.81 3.53 1.89 7.87 76.86 9.37 0.11 0.16 0.21 47 N H H 108.42 2.46 15.54 18.79 91.80 52.29 -64.69 -38.24 11.56 0.19 88.25 1.95 0.91 7.64 65.53 23.75 0.04 0.13 0.06 48 D H H 113.17 1.48 15.43 16.55 91.59 54.07 -69.18 -26.14 18.37 0.15 81.48 1.23 1.07 14.86 61.88 20.75 0.07 0.08 0.07 49 I C T 76.91 8.46 11.41 21.19 95.93 49.83 -92.85 -0.13 50.02 0.18 49.80 1.30 2.87 45.63 31.33 18.58 0.06 0.08 0.16 50 G C T 54.70 1.73 16.36 17.66 98.27 -99.94 88.61 8.73 98.79 0.08 1.13 3.90 4.20 90.86 0.71 0.26 0.00 0.04 0.03 51 F C C 75.79 12.15 7.89 20.18 115.10 130.10 -91.81 129.33 92.40 4.75 2.85 76.26 12.05 3.60 1.46 1.47 0.00 2.46 2.70 52 N C C 107.86 2.92 12.73 17.01 117.20 -155.85 -103.65 135.89 86.76 7.12 6.11 65.66 13.59 7.09 2.05 4.33 0.00 4.63 2.66 53 K C C 134.01 4.78 9.99 16.63 111.28 -135.74 -86.05 125.38 84.61 7.74 7.65 48.20 21.34 15.14 1.48 6.34 0.00 5.16 2.33 54 F C C 140.05 4.07 8.83 14.64 111.20 -134.54 -92.02 118.67 92.17 3.27 4.55 79.66 3.01 10.02 0.96 3.04 0.00 2.30 1.02 55 R C C 165.91 2.99 11.44 16.09 110.60 -157.75 -92.69 115.54 99.81 0.15 0.04 99.65 0.13 0.09 0.01 0.01 0.00 0.08 0.02