# 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 151.42 1.80 9.58 12.85 115.82 -159.58 -99.34 131.59 99.75 0.18 0.07 99.59 0.16 0.09 0.03 0.01 0.00 0.08 0.04 1 M C C 136.76 2.30 6.47 10.75 116.97 -151.34 -96.83 135.14 88.78 2.76 8.46 85.08 1.31 3.88 4.24 2.61 0.00 1.34 1.53 2 S C C 79.68 2.26 7.07 11.11 116.54 -136.58 -92.24 146.07 82.86 3.22 13.92 65.01 8.48 9.17 5.45 8.54 0.00 1.86 1.49 3 R C C 191.48 1.05 8.20 10.08 100.12 -138.75 -80.51 -12.19 73.41 3.86 22.73 29.90 23.14 21.45 8.43 13.35 0.03 2.20 1.50 4 Y C C 169.79 2.06 7.34 11.00 109.25 63.09 -99.23 81.13 69.19 8.60 22.21 36.71 16.18 17.18 9.11 12.57 0.08 5.44 2.74 5 Q C C 130.89 1.99 8.54 12.17 115.27 119.98 -101.61 128.37 75.65 10.58 13.77 56.33 11.37 7.27 7.27 6.86 0.01 6.96 3.93 6 H C C 135.64 3.28 6.60 11.93 116.49 -146.73 -102.25 130.47 79.76 9.77 10.46 58.05 13.03 8.14 6.36 4.38 0.01 6.19 3.85 7 T C C 107.54 1.50 8.47 11.27 116.91 -164.35 -106.96 138.66 82.13 7.72 10.15 50.08 18.74 13.66 5.57 4.44 0.01 5.16 2.33 8 K C C 166.98 1.15 8.48 10.51 110.42 -114.86 -85.97 131.49 82.49 5.52 11.99 33.03 23.87 26.67 5.82 5.42 0.03 3.52 1.64 9 G C C 53.41 1.95 9.98 13.02 115.20 23.52 103.50 -171.78 81.10 8.82 10.08 36.27 27.10 18.90 4.67 4.90 0.03 6.12 2.01 10 Q C C 136.74 1.81 10.18 13.21 114.48 -55.86 -88.13 134.68 73.48 16.35 10.17 55.09 11.61 5.82 6.36 4.35 0.04 11.27 5.46 11 I C C 95.56 6.44 6.66 14.48 114.77 -149.01 -98.05 126.39 71.46 15.60 12.94 58.00 8.13 4.10 9.92 3.80 0.02 9.46 6.58 12 K C C 144.81 2.11 10.12 13.50 113.21 -151.34 -86.89 145.80 67.72 6.31 25.98 44.98 9.68 12.86 14.66 11.65 0.04 4.24 1.88 13 D C T 129.27 0.80 11.46 11.75 98.37 -12.65 -73.92 -5.78 68.58 2.44 28.98 14.66 20.06 34.76 15.05 12.66 0.27 1.16 1.38 14 N C C 80.80 4.63 9.81 16.18 107.83 46.99 -111.96 65.00 71.95 3.48 24.57 38.62 13.98 19.98 13.39 10.44 0.03 1.70 1.87 15 A H H 56.79 5.65 10.63 18.25 94.26 138.53 -63.23 -37.93 8.48 0.22 91.29 4.54 2.25 3.05 87.35 2.59 0.02 0.10 0.09 16 I H H 103.11 3.24 13.99 17.69 92.11 53.44 -64.91 -40.90 2.86 0.07 97.08 0.71 0.43 1.74 93.51 3.54 0.01 0.05 0.01 17 E H H 98.00 2.58 15.20 18.18 91.85 50.37 -65.04 -40.56 1.15 0.04 98.81 0.24 0.14 0.74 94.77 4.07 0.00 0.04 0.00 18 T H H 44.45 6.35 12.65 21.06 91.60 51.24 -64.84 -40.83 0.83 0.02 99.14 0.14 0.08 0.57 95.16 4.03 0.00 0.02 0.00 19 L H H 68.59 7.09 12.75 21.46 91.81 51.17 -65.54 -37.55 2.18 0.02 97.80 0.19 0.13 1.76 92.71 5.18 0.01 0.02 0.00 20 L H H 104.76 3.22 14.12 18.13 91.88 53.66 -69.32 -29.24 18.02 0.03 81.96 0.40 0.47 18.03 77.12 3.92 0.02 0.01 0.02 21 H C T 134.93 2.17 14.34 16.77 96.44 47.04 -94.50 -7.17 60.01 0.10 39.89 1.28 3.16 54.26 38.58 2.57 0.02 0.03 0.11 22 D C C 47.64 9.34 7.95 18.93 111.83 101.73 -81.69 123.97 98.95 0.57 0.48 63.72 34.86 0.20 0.45 0.05 0.00 0.09 0.63 23 P H H 97.36 1.92 13.20 15.85 93.48 -147.15 -62.16 -32.54 21.79 0.06 78.15 1.40 1.75 18.28 71.82 6.65 0.04 0.03 0.04 24 L H H 97.78 2.65 12.76 16.29 92.31 56.08 -66.61 -37.29 18.71 0.06 81.22 1.01 1.08 16.46 73.85 7.48 0.05 0.04 0.04 25 F H H 70.24 8.47 10.41 20.39 92.60 52.07 -67.62 -37.56 7.08 0.15 92.77 1.95 0.84 4.12 83.07 9.86 0.02 0.10 0.04 26 R H H 130.51 3.98 13.23 18.60 92.59 55.78 -65.30 -38.46 6.15 0.31 93.54 2.66 0.83 2.96 87.69 5.52 0.02 0.26 0.06 27 Q H H 114.60 1.72 14.50 15.85 93.30 52.07 -68.51 -36.19 14.38 1.20 84.42 4.82 1.87 8.21 78.29 5.43 0.09 1.06 0.23 28 R H H 125.13 4.35 13.48 18.89 94.70 51.32 -71.45 -34.14 20.77 2.51 76.72 8.85 3.16 9.37 71.82 4.21 0.09 2.03 0.47 29 V H H 63.25 8.08 11.07 20.39 104.01 54.71 -84.58 -26.16 27.65 8.78 63.57 17.66 4.89 6.33 60.65 2.56 0.09 6.26 1.56 30 E H H 110.19 3.41 12.92 17.38 101.99 57.21 -76.07 -26.77 35.43 9.36 55.20 24.79 4.77 5.98 53.55 2.28 0.04 7.17 1.44 31 K H H 131.06 2.91 11.90 15.86 102.80 53.23 -79.90 -9.42 39.12 8.38 52.50 26.04 6.07 7.50 49.61 2.92 0.05 6.34 1.47 32 N C H 87.85 4.80 9.47 15.83 103.85 62.61 -83.12 32.78 50.56 4.17 45.27 33.36 6.49 10.29 42.67 3.25 0.02 2.97 0.96 33 K C H 153.37 1.97 9.95 13.15 96.81 52.82 -73.32 -16.77 54.79 4.10 41.11 25.21 11.31 19.29 35.89 4.33 0.09 2.59 1.28 34 K C T 153.36 1.40 10.13 12.11 99.65 55.66 -87.60 0.94 72.12 2.00 25.88 15.79 15.44 40.22 22.16 4.36 0.08 1.02 0.92 35 G C T 53.31 2.46 10.02 13.84 103.52 -94.06 80.97 5.18 87.83 1.26 10.91 21.20 24.83 42.18 6.78 3.76 0.01 0.62 0.61 36 K C C 140.52 2.37 10.32 14.06 109.56 111.40 -91.58 112.92 80.59 3.12 16.28 37.16 21.92 22.12 10.12 5.62 0.03 1.42 1.61 37 G C C 40.22 5.18 10.52 17.32 115.30 -94.50 81.79 170.56 71.66 3.09 25.25 35.78 17.99 18.30 16.37 8.56 0.04 1.65 1.31 38 S C H 70.82 4.19 11.23 16.79 108.60 -109.57 -86.25 133.27 53.32 4.84 41.84 27.21 12.86 13.83 28.23 13.19 0.09 3.22 1.36 39 Y H H 151.61 4.02 10.74 16.10 103.04 -74.51 -86.90 1.97 41.77 11.23 47.00 22.49 9.35 11.78 33.08 12.28 0.29 8.25 2.47 40 M H H 114.25 4.21 10.73 16.45 107.02 67.55 -88.42 87.23 43.33 10.92 45.76 28.21 8.17 7.89 34.86 10.24 0.08 8.44 2.11 41 R H H 141.71 4.10 10.12 15.80 107.20 85.81 -84.79 97.13 45.14 7.84 47.02 31.03 8.31 7.17 39.99 5.92 0.05 5.74 1.79 42 K H H 140.96 2.94 10.61 14.97 103.80 55.32 -78.57 19.82 37.62 3.88 58.49 20.27 7.69 11.90 47.81 8.46 0.10 2.71 1.06 43 G H H 48.30 3.17 10.86 15.28 100.96 44.07 -58.48 -32.35 41.38 1.94 56.69 17.12 8.30 17.21 42.99 12.39 0.09 1.22 0.68 44 K H H 144.95 2.27 10.98 14.26 98.46 48.78 -76.99 -22.98 40.96 2.30 56.74 17.08 8.82 16.66 42.02 13.01 0.15 1.33 0.92 45 H C H 125.84 3.72 9.60 14.77 101.97 53.65 -88.45 2.28 49.63 3.61 46.76 20.75 11.67 19.67 34.47 9.62 0.23 1.81 1.79 46 G C C 48.28 3.79 10.36 15.62 103.94 78.06 -69.19 -24.45 73.02 2.24 24.74 29.58 15.67 28.55 16.86 7.09 0.03 1.10 1.12 47 N C C 123.11 1.90 10.73 13.58 103.26 48.76 -89.59 37.69 78.54 2.92 18.55 34.36 18.34 26.66 10.95 6.85 0.02 1.47 1.35 48 R C C 154.67 2.99 9.31 14.06 109.23 119.54 -90.43 101.72 75.41 3.38 21.21 34.94 19.66 21.62 13.56 6.82 0.05 1.53 1.82 49 G C C 45.67 3.45 10.74 15.62 115.18 18.12 -84.19 165.29 75.78 1.91 22.31 31.32 22.37 23.06 14.32 7.00 0.03 0.84 1.07 50 N C C 108.72 2.77 10.75 14.71 105.74 -80.04 -86.52 50.83 57.39 2.38 40.23 31.62 13.03 13.84 28.75 10.39 0.05 1.22 1.08 51 W H H 156.76 3.70 9.70 15.05 95.92 97.89 -69.80 -29.90 39.10 4.31 56.60 19.90 8.05 12.79 40.88 14.07 0.12 2.94 1.25 52 E H H 124.69 2.66 11.05 15.01 94.85 57.96 -70.59 -32.08 34.10 5.36 60.54 18.32 6.79 10.83 44.95 13.76 0.11 3.97 1.26 53 A H H 70.71 3.32 9.66 14.44 96.99 56.16 -76.12 -19.98 39.71 4.03 56.26 19.80 8.41 13.33 42.41 11.99 0.12 2.74 1.20 54 S C H 78.39 2.69 9.92 13.98 100.50 63.66 -86.48 0.46 56.64 2.31 41.06 16.42 11.87 29.28 31.46 8.47 0.17 1.34 0.99 55 G C T 55.58 2.52 9.85 13.79 104.30 -80.42 66.45 9.31 70.06 2.32 27.62 23.41 15.89 31.98 18.31 8.09 0.06 1.25 1.01 56 K C C 138.73 2.70 8.23 12.86 113.39 135.15 -90.24 130.97 70.47 6.44 23.09 44.85 14.11 11.37 15.11 8.17 0.03 4.08 2.27 57 K C C 151.92 1.96 8.56 12.21 113.55 -146.94 -92.10 130.16 69.34 11.11 19.54 48.91 10.43 9.35 12.75 7.37 0.03 7.86 3.31 58 V C C 110.56 2.81 6.72 11.47 112.47 -154.49 -92.04 128.54 72.34 9.77 17.90 45.05 12.66 14.69 10.76 7.12 0.04 7.10 2.60 59 N C C 127.75 1.48 7.87 10.74 109.98 -145.58 -94.71 110.17 84.27 4.88 10.85 67.02 3.27 15.02 5.83 3.75 0.00 3.62 1.48 60 H C C 146.22 2.58 8.89 13.21 105.87 -168.39 -90.76 62.81 99.78 0.15 0.08 99.48 0.20 0.17 0.03 0.01 0.00 0.08 0.02