# 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 H C C 151.97 1.77 9.51 12.76 116.13 -157.85 -98.25 132.26 99.75 0.19 0.06 99.57 0.17 0.09 0.03 0.01 0.00 0.09 0.04 1 M C C 139.68 2.09 6.46 10.51 116.78 -149.66 -97.54 134.62 88.47 3.11 8.42 84.16 1.43 4.33 3.79 3.02 0.00 1.58 1.69 2 S C C 80.76 2.28 6.77 10.88 116.65 -137.65 -92.21 145.35 83.32 3.74 12.93 64.11 9.11 9.76 4.25 8.93 0.00 2.26 1.59 3 R C C 192.73 0.96 8.24 9.91 101.37 -141.90 -84.14 -12.37 76.57 4.66 18.77 32.20 25.14 20.34 5.89 12.00 0.03 2.79 1.61 4 Y C C 168.14 2.18 7.24 11.12 113.39 64.19 -105.98 120.30 71.83 10.66 17.51 41.23 16.41 14.86 6.49 10.81 0.07 6.91 3.22 5 Q C C 132.39 1.92 8.57 12.17 116.56 -155.64 -106.60 130.53 78.94 11.86 9.20 62.17 10.46 5.56 4.79 4.68 0.01 8.02 4.31 6 H C C 137.13 3.22 6.57 11.88 116.66 -160.29 -101.89 129.70 81.40 10.25 8.36 59.72 13.16 8.07 4.55 3.95 0.01 6.70 3.85 7 T C C 108.86 1.43 8.49 11.18 115.64 -166.96 -106.22 135.77 83.74 7.94 8.32 49.98 20.27 13.99 3.97 4.15 0.01 5.30 2.32 8 K C C 166.60 1.16 8.50 10.53 111.44 -114.41 -87.70 131.60 84.21 5.90 9.90 33.89 25.08 26.44 4.18 4.95 0.02 3.80 1.64 9 G C C 52.52 2.02 9.95 13.17 117.52 28.89 109.13 -175.56 82.34 9.57 8.09 37.88 27.55 18.13 3.36 4.28 0.02 6.77 2.01 10 Q C C 137.29 1.78 10.29 13.31 115.05 -60.84 -89.65 135.18 74.37 17.27 8.36 57.06 11.05 5.15 5.05 3.79 0.03 11.96 5.90 11 I C C 95.60 6.55 6.63 14.54 115.30 -150.66 -97.93 127.17 72.45 16.67 10.89 59.84 7.70 3.62 8.29 3.32 0.01 9.98 7.24 12 K C C 144.69 2.04 10.14 13.41 113.83 -152.97 -89.56 149.83 69.20 6.57 24.23 46.59 10.10 12.32 13.62 10.95 0.04 4.44 1.94 13 D C T 130.29 0.77 11.48 11.65 97.63 -18.53 -72.56 -8.11 70.08 2.55 27.37 14.59 21.82 34.68 14.25 11.74 0.26 1.20 1.45 14 N C C 81.55 4.49 9.94 16.15 107.93 48.40 -111.59 69.20 72.28 3.66 24.06 39.01 14.68 19.35 13.29 9.93 0.04 1.77 1.94 15 A H H 56.56 6.01 10.57 18.52 94.25 154.27 -62.80 -38.14 6.14 0.13 93.73 2.99 1.48 2.49 90.46 2.46 0.01 0.06 0.05 16 I H H 104.26 3.05 14.34 17.73 91.95 53.18 -65.04 -40.93 2.31 0.06 97.63 0.53 0.33 1.46 94.40 3.22 0.01 0.04 0.01 17 E H H 97.24 2.49 15.65 18.38 91.97 50.07 -65.11 -40.75 0.94 0.04 99.02 0.18 0.11 0.63 95.52 3.52 0.00 0.03 0.00 18 A H H 29.64 7.20 12.28 21.80 91.17 52.14 -64.07 -41.05 0.73 0.02 99.25 0.11 0.07 0.52 96.06 3.22 0.00 0.02 0.00 19 L H H 69.00 7.21 12.99 21.79 91.70 51.29 -65.47 -37.73 2.30 0.03 97.67 0.19 0.13 1.93 92.61 5.11 0.01 0.02 0.00 20 L H H 107.93 2.84 14.48 17.91 91.92 53.21 -69.59 -28.95 17.47 0.03 82.51 0.36 0.42 17.70 77.70 3.78 0.02 0.01 0.02 21 H C T 134.07 2.23 14.39 16.91 96.51 47.14 -94.30 -8.54 58.25 0.11 41.64 1.26 3.14 52.68 40.10 2.64 0.02 0.03 0.12 22 D C C 47.14 9.69 8.03 19.23 111.60 97.34 -84.99 121.05 98.94 0.60 0.46 66.98 31.59 0.19 0.42 0.05 0.00 0.10 0.66 23 P H H 96.49 2.02 13.23 16.07 93.71 -149.47 -62.28 -32.15 23.66 0.07 76.27 1.54 1.86 19.70 67.61 9.17 0.05 0.03 0.05 24 L H H 97.76 2.74 12.78 16.46 92.31 56.10 -66.93 -35.71 20.19 0.08 79.73 1.15 1.19 17.38 70.53 9.62 0.05 0.04 0.04 25 F H H 70.99 8.74 10.27 20.41 92.87 52.65 -67.96 -36.96 8.46 0.21 91.33 2.47 1.02 4.74 79.07 12.48 0.02 0.15 0.06 26 R H H 132.44 4.03 13.21 18.61 92.80 56.86 -65.45 -37.77 8.17 0.49 91.34 3.64 1.20 3.82 83.57 7.25 0.03 0.40 0.10 27 Q H H 115.80 1.79 14.48 15.98 93.69 53.38 -68.72 -35.81 18.28 1.73 79.99 6.30 2.51 9.92 72.38 6.91 0.12 1.51 0.34 28 R H H 125.62 4.57 13.36 19.02 95.32 51.42 -73.09 -31.81 24.79 3.41 71.80 11.42 3.93 9.98 66.06 5.10 0.09 2.76 0.65 29 V H H 64.08 8.27 11.01 20.47 104.77 55.81 -85.66 -22.29 29.90 11.11 58.99 19.93 5.28 5.99 55.95 2.80 0.09 7.98 1.97 30 E H H 110.04 3.56 12.74 17.46 104.16 62.25 -78.13 -16.28 36.53 11.20 52.27 26.18 4.78 5.55 50.67 2.40 0.04 8.71 1.67 31 K H H 131.41 3.00 11.77 15.91 104.49 52.47 -80.78 17.59 40.39 9.55 50.07 27.38 6.24 7.18 47.26 2.99 0.06 7.22 1.68 32 N C H 86.27 4.92 9.25 15.77 107.14 66.05 -83.05 89.15 53.02 4.20 42.78 35.44 6.79 10.16 40.35 3.28 0.02 2.98 0.98 33 K C H 156.15 1.81 9.90 12.88 96.46 -109.23 -72.60 -17.63 56.70 4.05 39.25 25.38 12.20 20.19 33.78 4.50 0.11 2.55 1.29 34 K C T 154.00 1.32 10.15 11.95 99.30 55.64 -87.64 1.72 73.24 1.98 24.78 15.48 15.89 41.18 20.89 4.51 0.08 1.02 0.95 35 G C T 52.90 2.56 9.98 13.97 103.02 -95.56 81.00 5.76 88.27 1.37 10.36 21.53 25.51 41.62 6.20 3.76 0.01 0.69 0.65 36 K C C 138.55 2.46 10.41 14.26 110.03 112.11 -91.73 113.92 80.59 3.47 15.94 37.88 21.86 21.47 9.78 5.62 0.03 1.60 1.76 37 G C C 39.47 5.37 10.69 17.65 115.56 -92.22 80.11 171.94 71.80 3.35 24.85 36.07 17.74 18.39 15.82 8.72 0.04 1.82 1.39 38 S C H 69.82 4.41 11.38 17.14 107.19 -104.14 -84.24 75.62 52.94 5.08 41.98 26.94 12.50 14.06 27.40 14.18 0.10 3.40 1.43 39 Y H H 150.22 4.15 10.93 16.41 102.34 56.32 -86.08 7.32 41.91 11.27 46.82 22.00 9.40 12.26 32.10 13.21 0.32 8.24 2.48 40 M H H 113.61 4.29 10.94 16.72 106.34 68.94 -88.63 64.65 43.55 11.08 45.37 27.86 8.40 8.24 33.72 11.01 0.10 8.45 2.22 41 R H H 139.44 4.32 10.14 16.04 108.21 88.38 -84.94 111.46 45.73 7.85 46.43 31.18 8.57 7.38 39.17 6.13 0.05 5.67 1.86 42 K H H 141.34 2.94 10.70 15.04 104.48 55.15 -78.38 35.99 38.05 4.01 57.94 19.98 7.86 12.48 46.90 8.75 0.11 2.81 1.10 43 G H H 48.58 3.19 10.87 15.32 101.40 45.14 -47.78 -28.66 42.10 2.03 55.87 17.21 8.55 17.70 42.16 12.30 0.10 1.28 0.71 44 K H H 144.24 2.35 10.97 14.39 98.84 51.99 -77.46 -22.09 41.82 2.44 55.74 17.57 9.13 16.85 41.16 12.73 0.16 1.41 0.98 45 H C H 126.85 3.68 9.65 14.78 102.37 53.98 -89.68 7.80 50.55 3.80 45.64 21.04 11.96 20.02 33.65 9.30 0.25 1.90 1.88 46 G C C 48.62 3.76 10.37 15.58 105.45 76.13 -68.31 -24.28 74.21 2.31 23.48 30.51 16.33 28.15 15.88 6.82 0.03 1.13 1.14 47 N C C 122.74 1.96 10.58 13.57 104.59 48.46 -90.32 38.72 79.19 3.01 17.81 35.75 18.85 25.39 10.51 6.58 0.02 1.51 1.39 48 R C C 154.88 2.99 9.28 14.03 109.88 117.48 -90.71 110.84 75.55 3.30 21.15 35.73 19.97 20.65 13.77 6.58 0.04 1.48 1.79 49 G C C 45.90 3.37 10.76 15.53 116.71 11.85 -82.16 -14.63 74.26 1.85 23.89 31.05 21.91 22.30 15.83 7.03 0.03 0.82 1.02 50 N C H 108.45 2.80 10.76 14.75 105.45 -71.69 -85.95 44.89 55.37 2.37 42.26 30.33 12.65 13.64 30.81 10.24 0.06 1.25 1.04 51 W H H 157.52 3.70 9.77 15.12 95.72 92.74 -69.46 -30.78 36.81 4.20 58.99 18.82 7.62 12.09 43.26 14.02 0.12 2.93 1.15 52 E H H 124.93 2.64 11.18 15.10 94.52 57.43 -69.82 -32.93 32.13 5.28 62.59 17.14 6.45 10.39 47.02 13.73 0.12 3.96 1.19 53 A H H 69.92 3.42 9.82 14.71 96.44 54.72 -76.67 -19.15 38.07 4.02 57.91 19.01 7.99 12.98 44.06 11.91 0.12 2.75 1.18 54 S C H 76.33 3.01 9.87 14.34 100.84 65.46 -85.89 1.63 56.38 2.36 41.26 16.20 11.67 29.39 32.00 8.19 0.17 1.37 1.01 55 G C T 55.78 2.49 10.03 13.91 103.99 -83.21 68.04 9.41 70.78 2.30 26.92 22.78 15.76 33.41 18.15 7.61 0.06 1.25 1.00 56 K C C 138.14 2.76 8.26 12.98 113.45 134.20 -90.65 131.25 71.73 6.41 21.87 45.97 14.39 11.18 14.56 7.54 0.03 4.04 2.28 57 K C C 152.31 1.94 8.56 12.18 113.78 -146.69 -92.71 130.11 70.28 11.21 18.51 49.99 10.46 9.14 12.18 6.89 0.03 7.93 3.37 58 V C C 111.12 2.76 6.68 11.38 112.53 -154.09 -91.66 128.09 72.90 9.91 17.19 45.65 12.85 14.48 10.33 6.84 0.03 7.22 2.61 59 N C C 128.10 1.44 7.77 10.60 110.11 -145.99 -95.29 109.46 84.50 5.02 10.49 67.47 3.30 14.73 5.63 3.64 0.00 3.73 1.51 60 H C C 146.74 2.51 8.82 13.08 106.36 -170.09 -90.83 67.53 99.77 0.16 0.07 99.47 0.21 0.17 0.03 0.01 0.00 0.09 0.03