# 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 P C C 98.71 3.05 10.99 15.71 114.15 -110.05 -69.71 146.31 99.97 0.02 0.01 99.89 0.08 0.02 0.00 0.00 0.00 0.01 0.00 1 K C C 159.16 1.82 8.49 12.14 114.63 -120.96 -86.70 135.64 93.76 5.07 1.17 92.68 0.73 1.04 0.51 0.36 0.00 2.24 2.44 2 M C C 139.87 2.45 7.15 11.60 114.88 -132.19 -90.09 133.88 89.46 8.16 2.38 76.94 9.27 2.96 1.08 1.22 0.00 5.06 3.48 3 K C C 156.66 1.67 9.25 12.40 117.48 -141.62 -99.44 137.38 86.51 10.15 3.34 71.96 11.11 3.25 1.88 1.46 0.00 6.48 3.86 4 T C C 86.05 5.32 8.07 15.31 117.93 -145.23 -95.22 141.92 85.04 9.35 5.61 69.87 11.50 3.37 4.08 1.82 0.00 5.62 3.74 5 H C C 119.20 4.31 10.62 16.41 108.31 -124.17 -85.05 117.15 86.21 4.55 9.24 71.78 10.11 3.66 8.20 1.81 0.00 2.44 1.99 6 R H H 166.60 2.37 12.00 15.57 96.21 -141.16 -66.16 -32.34 35.35 1.17 63.47 17.21 8.15 11.84 50.14 11.47 0.06 0.60 0.53 7 G H H 41.71 2.87 12.90 16.73 93.94 55.19 -65.24 -36.39 29.50 0.59 69.91 7.86 5.42 15.82 53.12 17.11 0.08 0.33 0.27 8 A H H 42.30 7.89 11.28 20.87 93.63 53.50 -69.55 -31.95 20.41 0.78 78.81 7.04 3.60 9.20 57.07 22.29 0.06 0.46 0.27 9 A H H 47.88 8.97 11.42 21.69 93.62 66.91 -65.03 -30.74 20.13 1.12 78.75 7.85 3.57 8.37 55.60 23.52 0.06 0.69 0.34 10 K H H 147.82 1.88 16.02 18.09 93.38 60.60 -73.73 -17.15 37.72 1.65 60.64 10.07 6.16 20.28 40.92 20.80 0.13 1.05 0.60 11 R C T 129.21 5.47 14.60 21.10 96.77 58.64 -88.17 -11.09 53.62 4.03 42.34 14.25 12.10 27.55 26.99 14.93 0.19 2.78 1.21 12 V E E 51.32 13.86 9.77 23.66 121.04 85.98 -102.97 135.38 45.43 48.22 6.35 33.24 9.23 3.55 4.63 2.37 0.13 41.78 5.08 13 K E E 121.78 3.43 15.96 20.78 125.21 -169.22 -119.61 145.07 23.74 75.40 0.86 21.33 1.71 0.52 0.61 0.33 0.00 74.43 1.07 14 R E E 147.47 5.24 10.71 18.12 115.83 -125.28 -89.26 132.39 8.47 91.35 0.18 7.45 0.42 0.06 0.21 0.04 0.00 65.23 26.59 15 T C C 54.15 5.84 8.15 16.15 122.95 -136.97 -84.41 169.38 95.78 4.14 0.07 96.00 0.42 0.10 0.02 0.02 0.00 2.78 0.66 16 A C T 106.78 0.33 9.32 8.78 90.08 -94.95 -62.85 -25.19 98.93 0.52 0.55 1.13 6.22 91.64 0.05 0.49 0.00 0.39 0.08 17 S C T 92.70 0.65 9.96 10.05 93.19 56.67 -86.99 -2.31 99.32 0.09 0.60 0.58 5.70 93.04 0.04 0.58 0.00 0.04 0.02 18 G C S 45.79 3.79 10.26 15.90 97.82 -103.85 87.21 5.98 99.46 0.21 0.33 10.45 87.86 1.29 0.03 0.20 0.00 0.10 0.07 19 Q C C 98.73 3.30 12.37 17.37 119.59 131.39 -84.62 147.68 96.55 3.37 0.08 90.83 5.82 0.24 0.03 0.04 0.00 2.17 0.85 20 L E E 73.95 10.28 10.34 21.83 115.64 -118.36 -86.96 134.57 2.68 97.30 0.02 2.62 0.12 0.01 0.02 0.01 0.00 85.22 11.99 21 K E E 99.66 6.33 15.16 23.08 125.88 -170.29 -121.47 146.87 13.81 86.07 0.12 13.52 0.49 0.08 0.09 0.04 0.00 85.11 0.68 22 R E E 122.43 9.38 12.04 22.45 118.63 -124.50 -93.58 138.84 44.84 54.03 1.13 40.62 3.15 0.61 0.68 0.46 0.00 52.39 2.09 23 S C C 55.26 7.56 11.50 20.55 116.68 -125.09 -87.76 148.37 81.02 8.00 10.98 68.61 8.99 3.70 7.04 3.67 0.00 6.78 1.21 24 R C C 160.64 3.52 11.83 16.98 108.36 -129.43 -84.41 113.65 53.06 2.07 44.87 32.86 9.88 10.57 20.25 24.49 0.01 1.22 0.72 25 A H G 72.13 3.82 11.15 16.51 110.56 -112.13 -78.32 131.04 44.40 1.41 54.20 17.16 10.46 16.70 25.53 28.73 0.06 0.75 0.61 26 F H H 125.59 5.00 10.41 16.92 101.13 25.93 -90.94 35.58 43.96 1.56 54.48 23.49 7.94 12.65 28.42 25.97 0.02 0.82 0.69 27 T H H 70.35 6.89 9.96 18.28 100.05 90.22 -78.49 -17.63 42.98 1.29 55.73 26.45 8.04 9.28 40.10 14.84 0.03 0.62 0.63 28 S H H 77.35 2.75 11.61 15.53 96.72 70.24 -74.96 -21.46 35.81 0.92 63.27 13.79 7.29 15.01 40.17 22.75 0.08 0.48 0.44 29 H H H 129.32 2.67 11.42 15.24 97.09 58.66 -77.20 -16.69 37.41 1.00 61.59 10.72 7.36 19.21 39.41 22.11 0.16 0.51 0.51 30 L H H 95.33 5.04 10.74 17.29 97.74 59.65 -81.96 -11.94 43.08 1.89 55.03 16.34 8.86 18.90 34.64 19.10 0.16 0.93 1.07 31 F C C 97.89 8.04 9.18 18.44 98.94 68.25 -86.57 1.75 57.71 2.60 39.70 33.50 9.30 15.49 24.11 14.60 0.04 1.04 1.92 32 A C T 80.92 2.52 10.89 15.00 94.41 101.58 -66.35 -25.39 76.13 0.39 23.48 5.44 6.26 63.53 15.23 9.01 0.02 0.19 0.33 33 N C T 139.06 0.55 12.46 11.62 97.50 44.69 -93.58 7.23 82.68 0.23 17.09 6.34 8.73 67.60 8.02 8.99 0.00 0.12 0.19 34 K C C 75.00 10.13 6.17 16.79 121.41 109.33 -88.30 150.33 98.08 0.73 1.19 49.11 48.20 0.64 0.87 0.23 0.00 0.14 0.81 35 S C C 62.35 1.67 13.02 14.70 118.70 -106.24 -70.33 159.93 99.16 0.36 0.48 98.12 1.01 0.12 0.37 0.03 0.00 0.08 0.26 36 T H H 107.33 1.69 10.47 13.36 91.76 -104.49 -59.41 -37.83 2.97 0.01 97.02 0.70 0.53 1.50 96.62 0.64 0.00 0.00 0.00 37 K H H 145.60 0.78 13.04 12.64 91.93 52.34 -64.64 -40.42 2.10 0.01 97.89 0.34 0.24 1.34 97.32 0.75 0.00 0.00 0.00 38 Q H H 82.99 3.72 11.97 17.23 92.24 48.73 -66.20 -40.08 1.15 0.01 98.84 0.29 0.12 0.66 98.13 0.79 0.00 0.01 0.00 39 K H H 87.47 6.14 11.71 19.53 91.81 52.00 -63.72 -41.59 0.90 0.01 99.10 0.23 0.08 0.49 98.72 0.47 0.00 0.00 0.00 40 R H H 135.43 1.53 15.14 16.08 91.92 50.45 -64.62 -40.92 1.68 0.01 98.31 0.23 0.11 1.17 97.73 0.75 0.00 0.00 0.00 41 Q H H 105.41 1.85 15.18 16.79 92.14 49.84 -65.52 -39.73 3.70 0.01 96.29 0.34 0.22 2.84 95.44 1.14 0.00 0.00 0.00 42 L H H 63.00 7.86 11.48 20.93 92.52 51.11 -66.92 -37.18 9.32 0.07 90.60 1.60 0.96 6.48 89.13 1.74 0.02 0.03 0.04 43 R H H 138.47 4.25 13.67 19.34 92.56 57.45 -67.12 -32.59 27.93 0.58 71.49 7.54 3.82 16.76 68.55 2.73 0.05 0.27 0.27 44 K C H 149.61 1.44 14.95 15.93 95.18 56.48 -75.81 -20.40 50.04 1.22 48.74 15.13 7.45 27.42 44.77 4.05 0.05 0.61 0.53 45 A C C 58.65 7.33 11.39 20.00 102.36 71.75 -79.22 7.59 68.25 4.19 27.56 35.95 11.27 20.68 23.32 4.86 0.03 2.69 1.20 46 R C C 138.05 5.53 14.19 21.19 114.78 115.88 -94.01 128.97 69.69 19.32 11.00 49.74 10.04 8.73 8.20 3.60 0.03 15.83 3.82 47 L C C 97.24 7.06 14.57 22.82 116.20 -138.64 -89.58 135.03 57.62 39.29 3.09 47.10 6.55 1.80 2.54 1.03 0.01 26.98 13.97 48 V C C 44.56 14.30 9.82 24.29 119.80 -146.52 -100.00 140.39 68.59 30.38 1.02 62.28 5.53 0.60 0.85 0.33 0.00 19.17 11.25 49 S C C 54.43 3.11 16.59 20.01 121.40 -121.71 -79.01 165.03 94.51 5.07 0.42 93.02 1.69 0.16 0.30 0.07 0.00 4.14 0.62 50 K H H 148.94 2.48 13.09 17.07 91.31 -101.58 -58.87 -37.21 10.51 0.04 89.45 1.03 1.22 7.81 83.11 6.77 0.02 0.02 0.02 51 S H H 70.60 1.27 15.37 15.52 91.81 52.97 -64.47 -39.78 9.69 0.03 90.28 0.74 0.77 7.75 82.64 8.06 0.02 0.02 0.01 52 D H H 47.07 8.25 12.83 22.82 92.40 49.49 -67.14 -38.70 5.42 0.04 94.54 1.23 0.57 3.32 84.74 10.09 0.00 0.03 0.01 53 M H H 60.08 9.13 12.11 22.84 91.77 53.74 -63.26 -41.38 0.75 0.00 99.25 0.20 0.07 0.38 98.65 0.69 0.00 0.00 0.00 54 K H H 124.55 1.28 16.06 16.14 91.77 51.07 -64.43 -40.73 0.44 0.00 99.56 0.07 0.03 0.28 99.07 0.55 0.00 0.00 0.00 55 R H H 128.78 2.19 14.45 16.88 92.06 50.10 -65.11 -40.48 0.49 0.00 99.50 0.06 0.03 0.34 98.83 0.74 0.00 0.00 0.00 56 V H H 54.05 9.28 10.22 20.74 92.48 50.74 -65.95 -39.55 1.19 0.00 98.81 0.11 0.06 0.87 97.89 1.07 0.00 0.00 0.00 57 K H H 142.77 2.26 12.09 15.56 91.77 52.88 -65.70 -32.92 15.21 0.01 84.77 0.54 0.45 13.99 83.86 1.14 0.00 0.00 0.01 58 Q H H 142.20 0.86 11.94 12.23 94.69 52.81 -77.47 -18.02 49.61 0.04 50.35 4.18 0.66 41.79 52.23 1.10 0.00 0.01 0.03 59 L C C 94.68 6.44 10.65 18.45 97.72 72.91 -75.62 -12.81 99.64 0.06 0.31 98.53 0.49 0.61 0.31 0.02 0.00 0.02 0.03