# 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 100.33 6.97 10.42 18.90 116.80 -162.01 -93.89 135.95 99.78 0.14 0.07 99.66 0.13 0.07 0.04 0.01 0.00 0.07 0.03 1 S C C 68.74 2.91 11.51 15.67 116.27 -146.86 -93.82 145.75 85.70 3.14 11.16 82.18 1.35 2.66 9.59 1.29 0.00 1.18 1.75 2 F H H 129.57 5.20 8.46 15.18 96.65 -128.32 -68.32 -26.62 33.27 2.17 64.56 18.41 6.60 9.54 48.70 14.66 0.07 1.31 0.71 3 E H H 130.41 1.91 10.93 13.69 95.17 66.24 -68.30 -33.31 23.93 2.83 73.25 11.83 4.30 7.95 52.65 20.36 0.07 2.35 0.50 4 V H H 89.93 2.60 10.52 14.38 94.98 55.69 -70.29 -34.64 18.80 3.66 77.54 9.96 3.21 5.86 55.03 22.12 0.05 3.31 0.46 5 L H H 89.53 5.69 9.20 16.45 96.20 55.40 -72.58 -27.32 22.90 5.54 71.56 12.44 4.08 7.20 52.63 18.01 0.09 4.59 0.95 6 F H H 133.81 3.73 10.03 15.30 97.53 61.26 -77.65 -16.24 46.51 6.46 47.03 20.11 8.20 19.36 36.39 9.43 0.23 4.42 1.86 7 D C C 116.23 1.53 11.19 13.31 98.30 57.25 -85.59 6.02 72.85 3.91 23.24 31.02 13.95 28.00 17.67 5.70 0.06 2.45 1.16 8 V C C 85.87 5.18 7.79 14.92 115.23 117.60 -94.33 129.03 90.29 4.49 5.21 57.71 30.13 2.77 4.23 1.20 0.01 2.48 1.49 9 P C C 107.24 1.88 10.87 13.95 110.33 -122.38 -71.98 136.89 85.24 7.16 7.60 77.10 4.93 3.25 5.27 2.26 0.00 5.37 1.82 10 V C C 97.11 5.47 7.81 15.03 117.91 -156.81 -100.12 134.22 75.68 13.40 10.92 62.50 8.14 4.48 6.97 4.30 0.01 9.76 3.84 11 K C C 148.64 2.26 10.40 14.26 115.47 -150.22 -98.32 129.25 75.92 14.75 9.33 64.67 5.97 4.62 5.44 3.98 0.01 10.91 4.40 12 K C C 140.59 3.76 8.95 14.71 112.18 -142.08 -90.87 129.46 81.60 9.37 9.03 52.33 12.98 16.85 3.59 5.03 0.01 6.64 2.58 13 N C C 119.15 2.69 10.45 14.57 107.96 -32.86 -64.88 51.75 90.19 4.45 5.35 47.11 22.86 20.80 1.46 3.65 0.00 2.53 1.59 14 E C C 110.44 4.94 8.52 15.30 116.13 123.43 -92.15 134.33 89.11 3.54 7.35 56.62 21.24 10.91 1.65 5.93 0.00 1.77 1.89 15 P C C 109.56 2.36 10.35 14.25 99.75 -124.05 -70.61 -11.98 92.15 1.48 6.37 38.15 16.96 36.98 1.02 5.47 0.00 0.80 0.61 16 S C C 87.83 2.06 10.76 13.99 105.81 53.51 -93.18 22.52 91.46 2.58 5.96 35.97 23.20 32.39 0.98 5.03 0.00 1.30 1.13 17 G C C 36.24 5.94 10.19 17.72 126.89 120.62 -93.24 175.32 92.05 4.51 3.45 50.15 35.83 6.03 1.02 2.33 0.00 2.00 2.64 18 P C C 93.71 4.05 11.82 17.26 110.35 -60.95 -75.43 139.66 84.25 5.61 10.14 48.40 16.95 18.95 2.36 7.76 0.01 3.02 2.56 19 H C C 111.37 6.77 10.05 18.23 108.22 -136.70 -91.34 97.85 78.78 7.67 13.55 47.59 14.01 16.92 3.13 10.57 0.01 4.00 3.76 20 S C C 72.60 5.29 11.36 18.04 99.23 138.38 -81.32 -13.86 77.69 5.72 16.60 37.76 22.46 18.14 3.23 12.94 0.02 3.02 2.44 21 H C S 121.91 3.61 11.52 16.82 118.82 64.60 -104.18 136.49 82.27 5.97 11.76 32.29 33.59 17.16 2.23 8.97 0.02 3.09 2.65 22 R C C 165.60 3.19 12.15 17.07 111.25 -106.51 -74.42 135.27 88.24 5.57 6.19 63.51 15.94 7.93 1.49 5.09 0.00 2.88 3.15 23 K C C 104.22 8.33 9.09 18.72 119.40 -146.50 -99.47 137.61 92.99 6.03 0.99 70.16 20.69 1.80 0.36 0.64 0.00 2.85 3.49 24 P C C 109.94 2.06 14.07 16.87 102.23 -122.89 -73.31 18.56 93.75 5.11 1.14 70.88 17.79 4.77 0.30 0.90 0.00 2.47 2.88 25 F C C 115.46 7.72 9.43 18.34 118.26 52.12 -105.07 136.50 91.61 7.14 1.25 70.22 16.47 3.57 0.44 0.83 0.00 2.44 6.02 26 G C C 37.15 4.17 12.37 18.12 129.75 -149.91 -131.59 -176.62 94.45 3.44 2.11 64.36 24.40 4.92 0.50 1.66 0.00 1.18 2.97 27 K C T 170.96 1.08 12.96 14.20 107.95 -52.24 -67.22 126.55 92.98 1.24 5.77 4.38 10.44 76.83 0.39 6.58 0.00 0.79 0.58 28 G C T 54.10 2.96 14.32 18.16 97.14 19.60 81.66 -0.81 94.52 0.79 4.69 5.94 9.18 78.11 0.31 5.67 0.00 0.55 0.26 29 S C C 38.26 11.47 11.60 24.23 112.64 122.40 -81.26 136.76 91.90 5.28 2.82 77.26 11.08 2.82 0.46 2.86 0.00 2.73 2.80 30 R C C 110.75 9.24 17.21 27.04 112.83 122.10 -109.95 99.98 82.06 17.15 0.80 67.92 12.03 1.56 0.24 0.66 0.00 12.23 5.37 31 S E B 50.53 7.53 20.25 28.36 127.40 109.96 -113.01 151.32 27.03 72.76 0.21 22.42 1.47 0.11 0.16 0.06 0.00 18.60 57.18 32 C C C 11.43 19.41 11.99 32.02 110.50 -109.44 -72.44 131.04 90.47 9.46 0.07 91.08 0.82 0.07 0.02 0.03 0.00 5.03 2.95 33 V C T 86.07 5.71 19.37 26.19 93.41 -146.69 -71.43 -25.78 99.32 0.51 0.17 1.58 14.14 83.63 0.01 0.17 0.00 0.34 0.13 34 S C T 49.59 9.08 16.46 26.33 100.68 43.32 -86.90 -40.89 99.72 0.17 0.11 0.30 8.49 90.98 0.00 0.09 0.00 0.09 0.05 35 C C T 53.06 7.65 14.58 23.77 105.18 19.84 -112.11 -10.03 99.34 0.50 0.16 1.73 14.72 82.96 0.01 0.17 0.00 0.29 0.13 36 Y C C 162.36 4.12 16.29 21.69 95.40 -122.34 69.22 16.33 97.60 2.29 0.11 76.38 17.23 3.91 0.03 0.10 0.00 0.97 1.39 37 T C C 53.84 7.67 14.27 23.85 116.16 137.96 -86.90 136.20 89.42 10.35 0.23 76.38 11.46 0.84 0.08 0.15 0.00 3.76 7.33 38 F C C 116.26 9.10 16.53 26.38 103.59 -145.68 -86.85 40.55 69.78 29.06 1.16 42.58 23.01 4.83 0.47 0.82 0.03 13.30 14.95 39 R C C 109.28 8.56 19.11 28.07 119.30 97.79 -108.52 136.05 87.52 11.68 0.80 53.55 25.45 9.09 0.17 0.74 0.00 7.64 3.37 40 G C C 16.05 13.78 16.35 30.63 124.45 117.31 -90.85 158.60 81.10 16.14 2.76 54.56 22.15 4.34 1.33 1.50 0.01 11.37 4.73 41 I C E 58.03 12.02 19.06 31.45 95.93 -100.99 -75.04 -21.10 56.72 38.70 4.58 23.95 28.44 5.36 2.60 1.93 0.27 28.71 8.74 42 I E E 30.89 17.01 13.79 31.05 104.91 71.68 -90.73 80.77 19.97 72.29 7.74 12.73 4.49 2.82 5.73 2.48 0.47 52.86 18.41 43 R C E 132.11 6.40 16.48 23.99 98.14 82.31 -74.89 -37.64 39.02 28.59 32.40 17.49 6.89 16.79 11.44 19.73 0.15 25.38 2.12 44 K C T 135.05 3.31 17.58 21.33 97.00 42.02 -74.79 -34.77 64.12 6.28 29.60 18.10 7.60 38.18 10.95 18.56 0.13 5.21 1.28 45 L C T 57.13 11.64 14.87 27.16 100.51 37.78 -97.07 3.21 69.51 3.59 26.90 16.87 8.86 43.51 9.01 18.05 0.07 2.59 1.05 46 M C T 97.15 8.55 19.65 29.00 95.22 -125.71 56.55 41.44 83.70 14.23 2.07 20.96 11.58 52.08 0.68 1.24 0.01 12.22 1.23 47 M E E 20.53 17.55 16.66 34.82 129.02 129.00 -120.53 152.40 27.48 72.14 0.37 21.94 3.46 0.38 0.29 0.16 0.00 42.04 31.73 48 C C C 19.97 12.70 19.82 33.86 118.08 -110.39 -72.21 155.73 73.36 26.33 0.31 74.60 0.83 0.10 0.27 0.05 0.00 20.28 3.86 49 R H H 92.23 13.12 17.88 31.21 91.58 -111.53 -58.65 -38.63 4.09 0.02 95.88 0.40 0.48 3.17 94.61 1.30 0.01 0.01 0.01 50 R H H 126.04 3.30 22.90 25.86 91.57 53.48 -63.84 -40.59 2.56 0.02 97.43 0.15 0.21 2.25 95.48 1.88 0.01 0.01 0.01 51 C H H 19.60 12.33 18.49 32.26 91.94 48.08 -65.24 -41.74 2.16 0.03 97.81 0.26 0.22 1.67 95.78 2.04 0.01 0.01 0.01 52 F H H 9.09 23.18 14.32 37.53 91.82 50.95 -63.72 -42.87 0.60 0.01 99.39 0.11 0.06 0.39 98.60 0.83 0.00 0.00 0.00 53 R H H 113.25 8.49 18.63 27.82 91.42 51.67 -64.00 -39.07 1.25 0.01 98.74 0.07 0.05 1.07 96.29 2.51 0.00 0.00 0.00 54 E H H 123.97 2.01 21.32 22.19 92.33 49.24 -69.35 -34.91 4.14 0.01 95.85 0.10 0.12 4.12 93.13 2.51 0.01 0.00 0.00 55 Y H H 66.49 11.45 16.21 28.76 100.89 34.03 -105.10 -8.09 18.65 0.10 81.26 1.12 1.32 16.78 78.66 1.92 0.09 0.03 0.08 56 A H H 11.77 19.55 10.75 30.20 92.17 92.57 -60.42 -41.21 22.05 2.04 75.90 6.21 3.70 11.99 44.23 31.27 0.25 0.75 1.59 57 G H G 48.55 3.09 16.45 20.53 91.86 54.81 -64.18 -36.44 14.53 0.23 85.24 1.85 1.18 10.52 33.14 53.00 0.06 0.17 0.07 58 D H G 109.14 2.01 17.19 19.21 91.80 54.92 -70.53 -23.51 16.14 0.23 83.63 1.15 1.19 12.81 33.14 51.36 0.11 0.15 0.08 59 I H G 57.13 12.30 12.51 25.61 96.68 47.71 -96.10 1.35 37.82 0.29 61.90 1.27 2.99 32.85 19.86 42.56 0.11 0.13 0.23 60 G C T 47.88 3.39 18.56 22.16 98.35 -97.85 87.96 7.55 99.04 0.09 0.86 3.27 5.07 90.85 0.40 0.32 0.00 0.05 0.03 61 F C C 56.63 15.43 10.13 25.26 114.48 125.34 -90.78 132.50 90.38 7.03 2.59 67.35 19.11 3.75 1.32 1.32 0.00 3.70 3.44 62 A C C 63.22 5.00 15.25 21.48 116.19 -145.38 -96.95 132.86 82.74 12.57 4.68 61.69 16.43 4.23 1.72 3.09 0.00 7.95 4.89 63 I C C 95.00 8.44 11.05 20.64 110.70 -137.22 -82.27 127.84 83.35 11.64 5.01 59.12 14.00 9.69 1.27 3.92 0.00 8.58 3.43 64 Y C C 147.98 4.81 9.84 16.25 107.65 -140.77 -90.97 85.47 94.22 3.58 2.20 85.62 2.10 6.96 0.53 1.27 0.00 2.53 0.99 65 D C C 109.35 3.00 11.68 16.25 107.77 -147.76 -89.74 93.17 99.85 0.12 0.02 99.70 0.13 0.07 0.01 0.00 0.00 0.07 0.02