# 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 65.31 11.55 13.31 25.35 103.61 62.01 -81.95 21.82 99.75 0.04 0.21 99.67 0.09 0.08 0.14 0.01 0.00 0.01 0.01 1 E H H 110.63 5.37 12.09 18.92 94.82 90.21 -64.99 -37.38 30.64 0.23 69.14 24.55 1.45 6.11 55.26 12.40 0.00 0.12 0.11 2 T H H 89.01 1.84 13.28 15.30 93.79 54.89 -67.31 -38.11 16.46 0.22 83.32 4.85 2.42 7.95 58.14 26.41 0.02 0.13 0.08 3 K H H 106.99 4.74 13.07 19.19 93.62 52.81 -67.95 -35.12 12.80 0.20 86.99 3.73 1.74 6.13 60.40 27.81 0.01 0.13 0.06 4 I H H 44.41 14.19 9.38 23.54 94.25 52.82 -71.17 -30.33 14.19 0.26 85.56 4.14 2.07 6.89 61.18 25.45 0.02 0.15 0.09 5 K H H 135.36 3.46 14.06 19.12 92.67 66.46 -65.56 -28.78 47.14 0.29 52.57 4.19 3.61 37.53 39.73 14.49 0.08 0.15 0.23 6 N C T 121.23 1.50 15.73 16.91 96.26 49.74 -92.23 0.34 69.99 0.22 29.79 6.11 5.20 58.40 18.77 11.22 0.01 0.10 0.20 7 Y C C 73.88 14.89 8.63 23.16 114.36 108.24 -82.73 130.86 92.97 1.68 5.35 75.49 13.19 4.03 3.36 1.83 0.00 0.63 1.49 8 K C C 149.63 2.60 17.40 20.75 106.96 -167.45 -102.40 17.84 94.00 3.88 2.12 75.82 13.34 4.33 1.05 1.04 0.00 1.78 2.64 9 T C C 66.54 11.00 13.87 25.18 122.04 62.69 -104.69 143.45 89.60 8.66 1.74 56.24 29.18 3.28 0.79 0.92 0.00 2.91 6.67 10 A C C 37.34 12.77 13.15 26.59 118.65 -107.11 -76.58 150.55 96.39 2.36 1.25 75.93 18.12 2.19 0.33 0.94 0.00 1.17 1.32 11 P C C 75.52 6.07 17.15 24.06 112.34 -101.86 -68.25 147.84 95.87 1.19 2.94 62.52 18.53 14.27 0.45 2.98 0.00 0.61 0.63 12 F C C 122.50 8.95 12.38 22.25 112.34 -110.21 -81.11 131.05 92.43 4.73 2.84 64.80 16.45 10.02 0.56 2.58 0.00 1.59 4.00 13 D C C 56.28 8.78 11.12 21.55 116.26 -165.23 -112.85 119.44 94.51 4.64 0.84 81.90 10.12 1.69 0.28 0.53 0.00 1.55 3.92 14 S C T 90.13 2.01 12.41 15.73 92.86 -150.29 -66.20 -22.52 98.01 0.34 1.64 4.43 21.31 72.33 0.19 1.37 0.00 0.17 0.20 15 R C T 168.72 1.67 12.85 14.98 93.99 59.86 -75.75 -21.41 97.90 0.38 1.72 3.03 25.60 69.46 0.17 1.34 0.00 0.19 0.21 16 F C S 70.05 10.13 8.76 19.87 109.20 34.68 -123.44 71.40 93.50 4.58 1.92 42.56 46.94 3.47 0.66 1.15 0.00 1.51 3.71 17 P C T 84.03 4.79 11.89 18.68 94.86 159.38 -63.61 -27.92 90.80 1.09 8.10 24.25 10.94 55.95 2.62 5.06 0.00 0.54 0.64 18 N C T 108.76 3.46 13.44 17.99 98.26 49.72 -89.96 10.65 84.53 1.28 14.19 16.16 14.82 53.69 5.96 7.84 0.02 0.56 0.95 19 Q C T 101.52 5.98 14.46 21.68 103.50 113.37 -78.95 -11.45 78.77 1.57 19.66 18.28 26.47 34.83 11.53 7.03 0.03 0.58 1.25 20 N C C 72.15 8.98 16.06 25.72 98.80 22.87 -86.72 26.46 77.61 1.53 20.85 34.61 11.77 31.96 14.91 5.01 0.01 0.58 1.15 21 Q H H 49.16 15.05 16.26 31.37 94.44 130.65 -66.59 -36.27 27.99 0.47 71.53 15.72 5.19 8.63 67.60 2.40 0.03 0.18 0.26 22 T H H 47.78 13.03 18.92 31.78 92.54 54.47 -64.47 -41.74 15.83 0.16 84.02 4.95 2.64 8.67 81.48 2.09 0.02 0.06 0.08 23 R H H 122.74 4.56 23.88 28.51 91.98 49.85 -65.96 -40.30 5.63 0.05 94.32 1.49 0.84 3.31 92.92 1.39 0.01 0.02 0.02 24 N H H 41.12 11.73 21.37 33.57 91.95 50.73 -64.91 -41.21 1.94 0.01 98.05 0.49 0.25 1.06 97.60 0.59 0.00 0.00 0.00 25 C H H 13.24 19.67 19.41 38.97 92.11 50.52 -64.66 -42.05 1.34 0.00 98.65 0.22 0.11 0.86 98.42 0.38 0.00 0.00 0.00 26 W H H 91.10 10.83 23.75 34.56 91.68 50.10 -63.98 -41.69 0.60 0.00 99.40 0.09 0.04 0.37 99.31 0.19 0.00 0.00 0.00 27 Q H H 77.51 6.90 25.52 32.82 91.70 50.12 -64.11 -42.18 0.27 0.00 99.73 0.03 0.01 0.17 99.72 0.07 0.00 0.00 0.00 28 N H H 19.47 17.66 21.56 39.11 91.82 50.41 -64.41 -41.87 0.25 0.00 99.75 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 29 Y H H 41.22 17.09 22.54 39.06 91.41 50.39 -63.98 -42.84 0.16 0.00 99.83 0.01 0.01 0.11 99.83 0.05 0.00 0.00 0.00 30 L H H 61.09 7.07 25.08 32.77 91.50 49.63 -63.97 -42.29 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 31 D H H 39.19 10.96 23.64 35.08 91.69 50.20 -64.21 -42.21 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 32 F H H 19.65 19.21 20.34 39.44 91.95 50.17 -63.75 -42.77 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 33 H H H 65.79 9.04 23.59 33.14 91.68 50.40 -63.86 -41.46 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 34 R H H 107.31 4.66 24.70 29.39 91.77 49.74 -64.07 -41.86 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 35 C H H 14.16 16.26 18.38 35.44 91.75 50.43 -64.24 -42.11 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 36 Q H H 60.49 12.23 19.50 31.87 91.90 51.33 -63.62 -41.74 0.14 0.00 99.86 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 37 K H H 116.05 2.10 22.89 23.54 91.79 49.59 -64.39 -41.57 0.40 0.00 99.60 0.03 0.02 0.26 99.65 0.04 0.00 0.00 0.00 38 A H H 33.80 6.12 17.69 25.42 91.69 50.02 -64.66 -41.61 1.15 0.00 98.85 0.08 0.08 0.81 98.92 0.11 0.00 0.00 0.00 39 M H H 30.35 12.50 12.00 25.97 92.05 50.04 -64.91 -41.39 2.97 0.03 97.00 0.50 0.38 1.89 96.90 0.30 0.01 0.01 0.01 40 T H H 93.10 2.39 14.92 18.05 92.27 49.14 -64.48 -39.93 4.81 0.03 95.16 0.83 0.46 3.26 94.46 0.94 0.02 0.01 0.01 41 A H H 91.05 0.93 13.59 13.91 91.29 52.87 -67.23 -28.69 13.15 0.05 86.80 0.83 1.09 11.27 85.51 1.23 0.03 0.01 0.03 42 K C T 133.57 2.70 11.36 15.26 95.11 46.14 -92.99 2.08 71.09 0.05 28.86 0.89 2.99 66.46 27.98 1.61 0.01 0.02 0.06 43 G C T 65.23 0.53 14.69 13.23 95.31 -108.30 78.53 14.45 99.56 0.02 0.43 5.26 3.24 91.19 0.20 0.10 0.00 0.01 0.01 44 G C C 29.27 9.09 8.79 19.23 125.21 134.62 -90.67 166.17 99.51 0.32 0.17 92.24 6.57 0.69 0.06 0.08 0.00 0.11 0.24 45 D C C 102.84 2.49 18.44 20.98 108.14 -105.14 -86.00 116.53 99.38 0.40 0.22 96.70 2.31 0.43 0.09 0.05 0.00 0.13 0.29 46 I C C 55.67 16.40 10.89 27.05 97.68 -175.99 -87.94 -6.68 83.40 0.60 16.01 77.56 3.57 1.62 15.96 0.71 0.00 0.15 0.43 47 S H H 67.41 2.52 19.83 22.30 91.92 95.61 -61.17 -41.13 8.24 0.04 91.73 4.16 1.26 2.69 90.77 1.08 0.00 0.01 0.02 48 V H H 54.06 7.97 19.19 28.26 92.04 49.95 -65.15 -39.57 2.16 0.01 97.83 0.66 0.22 1.10 96.97 1.03 0.00 0.01 0.00 49 C H H 8.00 20.63 14.21 35.20 91.57 51.45 -64.39 -41.13 0.49 0.00 99.51 0.11 0.04 0.26 98.77 0.82 0.00 0.00 0.00 50 E H H 92.25 6.59 22.41 29.44 91.48 52.11 -63.33 -41.06 0.27 0.00 99.73 0.04 0.02 0.17 99.46 0.32 0.00 0.00 0.00 51 W H H 109.88 5.59 22.97 28.61 91.63 51.13 -63.69 -42.77 0.42 0.00 99.58 0.03 0.02 0.33 99.47 0.16 0.00 0.00 0.00 52 Y H H 25.74 18.95 19.38 38.19 91.85 49.78 -64.04 -42.37 0.40 0.00 99.59 0.03 0.02 0.29 99.61 0.05 0.00 0.00 0.00 53 Q H H 44.65 16.80 20.06 36.05 91.48 51.69 -62.51 -42.03 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 54 R H H 121.46 4.17 24.54 28.53 91.71 50.81 -64.12 -41.62 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.03 0.00 0.00 0.00 55 V H H 30.63 12.33 21.24 34.23 92.06 49.13 -64.22 -43.23 0.15 0.00 99.85 0.00 0.00 0.11 99.81 0.06 0.00 0.00 0.00 56 Y H H 13.85 22.73 17.51 40.08 92.23 48.71 -65.50 -41.24 0.38 0.00 99.62 0.02 0.01 0.31 99.32 0.33 0.00 0.00 0.00 57 Q H H 79.75 11.66 19.74 31.32 91.60 53.04 -65.44 -32.83 2.29 0.00 97.71 0.08 0.08 2.18 94.79 2.87 0.00 0.00 0.00 58 S H H 65.29 5.12 21.97 27.04 92.34 56.11 -72.64 -25.25 13.22 0.00 86.78 0.15 0.29 13.94 83.03 2.58 0.01 0.00 0.00 59 L H H 47.52 14.85 17.78 32.69 100.56 38.48 -98.99 -18.82 28.61 0.02 71.37 0.43 1.62 26.95 69.18 1.78 0.02 0.00 0.02 60 C C S 13.85 21.18 12.28 33.17 127.42 54.07 -117.71 144.76 99.41 0.48 0.10 9.21 90.14 0.25 0.06 0.01 0.00 0.12 0.22 61 P C C 56.72 6.09 18.40 25.66 112.97 -102.03 -64.38 144.16 97.66 1.81 0.53 96.87 0.78 0.30 0.37 0.06 0.00 0.45 1.17 62 T H H 90.13 5.64 13.75 21.29 92.16 -118.15 -58.31 -35.93 7.40 0.02 92.58 1.02 1.03 5.13 89.17 3.60 0.02 0.01 0.02 63 S H H 74.54 1.69 18.82 19.50 91.43 57.40 -64.12 -37.01 3.75 0.00 96.25 0.20 0.23 3.17 92.31 4.08 0.00 0.00 0.00 64 W H H 53.76 13.26 15.54 29.60 92.49 49.66 -67.46 -39.54 1.44 0.00 98.56 0.16 0.10 1.04 94.62 4.07 0.00 0.00 0.00 65 V H H 22.96 16.13 14.22 30.89 91.74 51.66 -63.35 -43.03 0.75 0.00 99.25 0.09 0.06 0.52 98.19 1.13 0.00 0.00 0.00 66 T H H 80.04 1.94 21.43 21.79 91.69 50.35 -63.59 -41.47 1.64 0.00 98.36 0.09 0.07 1.45 97.73 0.66 0.00 0.00 0.00 67 D H H 70.30 4.30 20.04 24.64 91.77 49.69 -64.63 -41.45 1.65 0.00 98.35 0.09 0.09 1.42 98.00 0.40 0.00 0.00 0.00 68 W H H 23.30 18.52 14.24 33.16 91.85 50.78 -64.00 -42.48 0.61 0.00 99.39 0.07 0.04 0.40 99.28 0.21 0.00 0.00 0.00 69 D H H 67.41 6.03 18.81 25.78 91.62 51.01 -63.32 -41.41 0.25 0.00 99.75 0.03 0.01 0.14 99.75 0.07 0.00 0.00 0.00 70 E H H 108.77 1.46 19.72 19.13 91.91 49.74 -64.29 -41.16 0.15 0.00 99.85 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 71 Q H H 45.44 9.05 13.84 24.85 92.24 49.72 -65.02 -40.87 0.19 0.00 99.81 0.01 0.01 0.12 99.78 0.08 0.00 0.00 0.00 72 R H H 89.17 11.41 12.23 24.20 91.91 51.70 -63.53 -41.26 0.35 0.00 99.65 0.03 0.01 0.24 99.50 0.21 0.00 0.00 0.00 73 A H H 90.37 1.00 15.20 15.40 91.03 52.12 -65.17 -32.07 2.62 0.00 97.38 0.05 0.06 2.53 97.08 0.27 0.00 0.00 0.00 74 E C T 129.89 1.74 13.78 15.56 93.05 50.49 -85.01 -5.82 53.58 0.01 46.41 0.22 0.73 53.07 45.37 0.60 0.01 0.00 0.01 75 G C T 50.41 3.96 13.34 18.95 94.82 -112.12 78.13 13.74 99.75 0.02 0.23 1.58 3.58 94.68 0.09 0.05 0.00 0.01 0.00 76 T C C 63.20 7.18 14.93 23.58 99.15 125.88 -93.97 -6.22 98.45 1.28 0.26 61.76 34.81 1.88 0.09 0.16 0.00 0.43 0.87 77 F C C 45.16 17.48 10.52 27.47 115.04 70.15 -104.29 124.55 97.29 2.32 0.39 56.74 38.83 1.71 0.11 0.25 0.00 0.83 1.53 78 P C T 72.07 6.78 16.85 24.76 104.63 -138.09 -70.31 117.45 95.98 1.42 2.59 36.49 22.31 36.88 0.27 2.72 0.00 0.78 0.55 79 G C T 42.09 6.29 14.36 21.79 115.75 -17.74 109.19 -169.59 94.10 2.55 3.34 24.81 30.27 38.82 0.29 3.48 0.00 1.48 0.84 80 K C C 143.71 3.42 14.46 19.47 113.87 -77.00 -92.02 126.18 95.86 2.68 1.46 87.92 3.48 4.46 0.24 1.18 0.00 1.47 1.26 81 I C C 73.73 13.53 11.50 24.90 110.80 -154.97 -97.23 114.77 99.85 0.14 0.01 99.80 0.09 0.02 0.00 0.00 0.00 0.07 0.02