# 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 G C C 48.09 4.32 12.24 18.21 119.78 -149.33 -80.86 174.28 99.88 0.11 0.01 99.68 0.18 0.07 0.00 0.00 0.00 0.05 0.02 1 K C C 159.91 1.79 10.44 13.68 112.45 -88.00 -94.09 129.56 94.63 3.20 2.16 80.39 3.53 10.74 0.84 1.08 0.00 1.79 1.63 2 G C C 52.15 3.02 9.36 14.13 118.28 -46.97 95.47 172.90 93.26 3.91 2.83 47.09 30.49 16.03 0.84 1.86 0.00 1.88 1.81 3 T C C 93.01 3.30 9.61 14.64 116.78 -76.63 -96.26 139.81 90.10 4.97 4.93 62.62 23.91 3.39 2.81 2.00 0.00 1.98 3.29 4 P C C 99.32 3.27 10.37 15.32 106.04 -115.50 -71.36 116.35 72.40 3.15 24.45 45.42 10.99 15.90 10.53 14.02 0.01 1.84 1.29 5 S C C 78.03 3.58 9.96 15.08 107.81 -126.52 -90.14 92.08 65.03 3.94 31.03 34.55 12.06 19.03 14.63 15.82 0.05 2.14 1.71 6 F C C 128.13 5.15 9.88 16.54 105.51 62.19 -91.83 23.09 54.28 4.61 41.11 25.99 12.94 16.88 21.66 17.84 0.20 2.28 2.21 7 G C C 41.81 5.06 11.13 17.75 109.39 60.30 36.07 -88.86 56.08 3.23 40.69 27.38 12.88 17.16 23.45 15.86 0.09 1.63 1.55 8 K C C 148.30 2.28 12.14 15.46 102.69 9.18 -83.77 -2.73 52.97 4.12 42.91 25.40 13.00 16.17 24.99 16.31 0.16 2.14 1.82 9 R C C 148.60 3.93 10.55 16.15 107.97 67.58 -83.12 99.76 55.54 4.61 39.86 28.78 13.00 15.35 23.63 14.63 0.14 2.34 2.14 10 H C C 123.27 5.24 10.45 17.22 105.27 56.40 -90.00 44.92 66.38 3.97 29.65 36.37 13.70 16.91 18.82 10.15 0.06 1.91 2.08 11 N C C 96.88 4.78 11.65 18.00 110.63 77.61 -97.90 106.57 76.36 3.28 20.37 39.64 17.34 20.05 11.43 8.19 0.03 1.50 1.82 12 K C C 135.91 4.84 11.78 18.25 102.51 -151.03 -83.07 8.14 79.80 3.46 16.74 32.60 23.90 24.50 7.36 8.20 0.03 1.60 1.79 13 S C C 71.26 4.79 13.71 19.76 104.56 89.08 -90.70 5.24 82.94 5.07 11.99 39.81 22.71 21.28 4.04 7.29 0.01 2.64 2.22 14 H C C 93.16 9.54 13.73 24.09 115.40 81.16 -98.70 127.11 84.24 9.91 5.85 58.35 17.54 8.53 1.62 4.19 0.00 7.07 2.70 15 T C C 51.47 10.62 16.06 27.73 120.41 -158.28 -108.00 135.76 74.39 23.03 2.58 56.26 13.87 3.90 0.78 1.84 0.00 20.89 2.47 16 L E B 73.97 8.78 18.34 27.97 119.98 -133.07 -97.51 138.49 12.96 86.82 0.22 9.60 1.01 0.06 0.19 0.03 0.00 23.03 66.06 17 C C C 14.78 17.65 10.94 29.32 109.56 -113.96 -73.03 126.64 86.20 13.74 0.06 87.28 0.58 0.05 0.02 0.02 0.00 9.03 3.02 18 N C T 106.20 4.13 16.75 22.21 93.57 -152.32 -69.72 -26.13 99.75 0.08 0.17 0.58 2.92 96.29 0.00 0.13 0.00 0.05 0.02 19 R C T 141.35 4.03 15.80 20.97 99.79 44.79 -82.66 -40.32 99.83 0.03 0.14 0.05 1.34 98.51 0.00 0.09 0.00 0.01 0.01 20 C C T 61.13 6.17 13.89 21.69 102.24 20.10 -108.63 -13.50 99.86 0.03 0.11 0.12 1.80 97.98 0.00 0.08 0.00 0.01 0.00 21 G C C 43.94 4.60 15.53 21.46 95.23 -119.58 81.89 6.65 99.20 0.73 0.07 80.62 11.51 7.04 0.01 0.06 0.00 0.37 0.38 22 R C C 98.15 7.78 14.88 24.37 119.29 138.57 -78.48 145.97 90.33 9.62 0.04 83.89 6.75 0.17 0.01 0.03 0.00 6.09 3.07 23 R E B 123.23 8.61 18.53 27.88 115.88 -133.38 -99.12 132.36 16.81 83.11 0.07 14.68 1.19 0.06 0.06 0.02 0.00 40.23 43.74 24 S C C 22.02 14.65 17.20 32.44 134.28 167.14 -138.71 157.52 59.31 40.63 0.06 52.97 5.13 0.16 0.01 0.05 0.00 41.06 0.61 25 F E E 56.79 12.06 17.82 31.21 128.03 -150.88 -126.29 144.48 18.91 80.97 0.12 16.32 2.58 0.18 0.05 0.09 0.00 66.07 14.70 26 H E E 56.42 9.68 16.24 27.74 110.16 -123.64 -82.95 121.91 20.43 79.39 0.18 18.85 0.72 0.11 0.12 0.08 0.00 62.63 17.49 27 V C T 73.22 9.88 13.54 24.58 94.76 -154.34 -68.27 -30.99 92.45 1.92 5.63 3.72 7.36 80.27 0.29 6.45 0.00 1.56 0.36 28 Q C T 134.24 1.68 15.63 17.05 96.26 47.18 -77.29 -33.92 93.06 1.43 5.51 2.76 7.24 82.39 0.73 5.52 0.00 0.99 0.37 29 K C T 112.36 4.06 15.65 20.27 108.06 23.73 -114.19 22.24 94.65 0.59 4.77 5.54 7.87 79.94 0.61 5.46 0.00 0.42 0.17 30 K C T 107.32 10.10 14.64 25.42 96.86 -132.46 47.65 38.49 97.92 1.79 0.29 7.98 7.69 82.24 0.03 0.29 0.00 1.67 0.11 31 T E E 51.69 6.79 20.25 28.32 134.73 109.48 -130.78 156.50 3.93 96.05 0.02 3.18 0.64 0.06 0.01 0.01 0.00 63.83 32.26 32 C E E 13.93 18.55 12.44 31.72 112.76 -109.47 -76.19 132.38 26.02 73.96 0.02 26.35 0.34 0.03 0.01 0.01 0.00 62.60 10.66 33 S C T 57.98 7.50 17.71 26.43 94.28 -144.73 -69.12 -28.46 99.71 0.14 0.15 0.49 2.23 97.05 0.00 0.12 0.00 0.09 0.02 34 S C T 72.29 4.45 18.09 23.38 97.90 45.94 -81.16 -37.51 99.84 0.02 0.14 0.04 0.94 98.92 0.00 0.09 0.00 0.01 0.00 35 C C T 60.44 7.18 15.61 24.11 102.86 19.80 -110.05 -10.44 99.81 0.04 0.15 0.11 1.55 98.22 0.00 0.09 0.00 0.02 0.01 36 G C C 39.36 6.19 16.46 23.92 95.84 -116.67 82.41 5.86 98.22 1.65 0.13 79.74 11.78 6.72 0.05 0.07 0.00 0.67 0.98 37 Y C C 77.77 10.34 13.49 25.41 117.59 140.49 -78.21 142.08 91.21 8.55 0.23 81.32 9.99 0.26 0.17 0.09 0.00 5.25 2.92 38 P E B 70.14 6.34 18.47 25.54 113.90 -103.13 -66.59 149.91 19.89 78.38 1.73 14.40 1.91 0.60 1.12 0.53 0.03 18.86 62.54 39 A C C 45.89 11.76 13.12 25.50 113.51 -106.33 -71.06 145.12 75.78 5.63 18.59 62.51 8.14 5.10 5.24 13.66 0.00 4.07 1.28 40 A C C 54.91 9.46 12.57 23.06 109.63 -120.89 -76.95 139.53 63.04 5.02 31.95 43.26 10.58 9.41 9.94 22.05 0.01 3.20 1.56 41 K C C 143.42 3.06 13.54 18.02 109.66 -140.61 -88.17 117.67 55.67 10.28 34.05 32.99 12.43 11.22 11.98 21.57 0.06 6.67 3.10 42 T C C 89.59 4.84 10.85 17.35 110.06 -132.25 -94.00 108.50 60.68 13.51 25.82 39.52 12.01 8.85 12.84 13.38 0.06 8.85 4.50 43 R C C 141.13 5.50 9.59 16.80 113.88 104.18 -94.19 125.07 76.74 9.80 13.46 52.56 14.61 8.96 8.90 4.98 0.01 6.69 3.27 44 S C C 83.65 2.58 11.46 15.45 113.11 -146.21 -97.27 122.80 81.77 7.30 10.94 50.69 19.70 11.23 7.49 3.74 0.01 4.59 2.54 45 Y C C 141.90 5.01 9.94 16.57 114.22 -148.54 -99.35 123.98 77.57 3.57 18.86 30.93 27.44 19.07 15.71 3.48 0.04 1.83 1.49 46 N C C 110.29 3.11 12.41 16.77 102.65 -108.78 -81.41 61.89 72.20 2.19 25.61 36.56 16.85 18.47 22.68 3.46 0.02 0.99 0.97 47 W H H 129.41 7.06 10.83 19.29 97.95 140.65 -77.75 -16.24 39.75 1.03 59.22 20.47 6.76 13.51 54.73 3.57 0.03 0.50 0.44 48 G H H 32.51 5.24 13.22 20.12 96.77 63.05 -62.48 -43.04 22.44 0.73 76.83 11.90 4.23 7.92 71.63 3.63 0.02 0.42 0.24 49 A H H 60.79 2.57 15.21 18.09 93.48 49.14 -66.06 -39.73 8.60 0.48 90.92 4.09 1.78 3.72 86.51 3.43 0.03 0.33 0.10 50 K H H 100.20 4.29 14.92 20.32 92.88 51.37 -66.55 -39.37 6.86 0.53 92.62 3.19 1.25 3.22 88.56 3.25 0.03 0.41 0.09 51 A H H 35.57 7.35 12.14 21.62 92.52 52.49 -64.78 -40.17 7.56 0.57 91.86 3.59 1.26 3.50 87.68 3.38 0.03 0.45 0.10 52 K H H 124.94 2.34 15.74 18.35 92.66 51.59 -66.28 -39.27 11.12 0.62 88.26 4.13 1.77 6.00 83.97 3.49 0.06 0.44 0.15 53 R H H 138.74 2.33 14.83 17.53 93.30 50.90 -68.02 -36.56 18.04 0.70 81.25 6.04 2.92 9.99 77.14 3.17 0.08 0.41 0.24 54 R H H 117.26 6.55 12.34 20.26 95.35 56.63 -70.38 -31.81 28.86 1.29 69.86 14.77 4.91 10.50 65.46 3.13 0.04 0.66 0.52 55 H H H 125.26 4.00 13.34 18.50 97.90 58.89 -75.75 -21.92 38.99 1.52 59.50 20.48 6.25 12.95 55.77 3.16 0.03 0.76 0.59 56 T H H 88.86 3.20 13.48 17.50 102.29 55.39 -84.67 -23.86 48.80 1.76 49.44 19.42 11.65 18.49 45.64 3.14 0.08 0.80 0.78 57 T C H 83.55 4.07 13.17 18.28 102.50 45.30 -90.01 -9.55 63.16 1.61 35.23 20.96 19.43 22.27 33.21 2.63 0.06 0.62 0.83 58 G C C 38.72 5.60 12.64 19.76 111.45 -122.52 76.94 4.76 81.81 1.26 16.93 36.89 23.63 21.11 14.06 3.09 0.01 0.53 0.67 59 T C H 79.44 4.27 13.56 18.77 104.57 16.60 -85.20 -13.04 61.90 1.50 36.60 32.79 16.15 12.85 33.27 3.58 0.02 0.59 0.75 60 G H H 37.04 4.76 14.27 20.22 99.74 40.59 -21.65 -42.70 37.43 1.01 61.57 16.95 10.58 11.91 54.34 5.28 0.06 0.46 0.42 61 R H H 129.23 4.25 13.92 19.31 93.55 51.56 -66.52 -36.91 20.87 0.84 78.29 10.64 3.91 7.68 70.26 6.67 0.04 0.52 0.27 62 M H H 95.54 4.23 13.95 19.37 93.01 53.09 -67.65 -36.59 12.93 0.69 86.38 6.94 2.14 4.78 78.02 7.43 0.02 0.50 0.16 63 R H H 131.61 2.68 15.22 18.39 92.39 55.54 -64.87 -40.00 9.62 0.50 89.88 4.31 1.59 4.29 82.72 6.60 0.03 0.36 0.11 64 Y H H 115.51 4.03 14.42 19.55 92.69 50.50 -66.02 -39.73 8.81 0.41 90.79 3.41 1.27 4.43 83.99 6.48 0.03 0.31 0.08 65 L H H 82.98 4.85 13.67 19.94 92.41 52.65 -64.96 -39.23 7.68 0.26 92.06 2.87 1.08 3.78 86.20 5.83 0.02 0.17 0.06 66 K H H 121.77 2.50 15.43 18.26 92.48 52.19 -66.45 -38.11 12.97 0.31 86.72 3.11 1.48 8.24 82.53 4.32 0.03 0.20 0.08 67 H H H 105.43 2.87 15.36 18.68 93.68 49.29 -69.51 -37.01 15.62 0.42 83.95 3.76 2.29 9.87 80.21 3.41 0.07 0.25 0.14 68 V H H 65.74 4.91 13.18 19.83 93.02 53.14 -64.32 -42.54 12.31 0.59 87.11 6.78 2.50 3.78 83.28 3.15 0.02 0.33 0.14 69 S H H 56.12 3.36 13.90 18.33 92.02 51.51 -64.66 -39.46 11.30 0.59 88.11 6.73 1.30 3.70 82.75 4.94 0.01 0.46 0.11 70 R H H 133.27 2.10 13.98 16.32 92.67 51.68 -65.84 -39.08 8.42 0.46 91.12 3.15 1.26 4.16 82.48 8.47 0.03 0.37 0.09 71 R H H 131.12 3.02 12.64 16.76 93.00 52.26 -67.21 -38.47 10.10 0.57 89.33 3.51 1.49 5.24 81.12 8.04 0.04 0.43 0.13 72 F H H 122.73 3.60 11.07 16.07 95.36 49.84 -74.92 -29.72 19.00 0.99 80.01 6.97 2.84 9.58 72.43 7.16 0.07 0.62 0.33 73 K H H 145.04 1.87 11.66 14.12 95.86 59.02 -72.28 -27.48 33.13 1.20 65.68 9.00 5.44 19.59 59.86 4.78 0.13 0.61 0.58 74 N C T 112.02 1.99 11.52 14.13 100.35 42.58 -90.06 4.98 61.70 0.72 37.58 9.00 9.52 42.08 34.23 4.36 0.06 0.31 0.45 75 G C T 49.90 3.40 10.90 15.74 101.13 -107.36 76.64 7.62 76.97 1.19 21.84 21.10 14.47 41.83 15.12 6.26 0.02 0.56 0.64 76 F C C 133.66 4.15 9.62 15.45 106.64 110.87 -85.87 51.82 73.89 6.83 19.28 42.40 13.73 18.00 11.36 7.72 0.05 3.85 2.90 77 Q C C 119.62 3.75 8.82 14.44 110.75 112.31 -93.67 113.13 76.65 9.08 14.27 49.03 12.93 14.68 8.40 5.93 0.04 5.76 3.24 78 T C C 107.41 1.92 8.86 12.49 114.54 156.52 -102.34 133.64 82.39 7.93 9.68 45.89 14.67 22.75 5.04 4.09 0.03 5.05 2.50 79 G C C 58.39 1.51 9.76 12.38 114.03 17.22 99.08 -166.47 94.44 2.85 2.70 67.31 5.99 21.63 0.98 1.23 0.00 2.04 0.80 80 S C C 88.71 2.07 11.41 14.72 112.21 -64.18 -91.41 133.65 99.82 0.16 0.02 99.62 0.20 0.07 0.01 0.00 0.00 0.09 0.02