# 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 103.21 7.03 11.72 20.17 118.15 -155.32 -94.27 135.64 99.92 0.07 0.01 99.81 0.11 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 93.65 3.72 10.93 16.41 113.55 -111.37 -69.11 147.79 90.04 1.33 8.63 86.60 0.86 4.20 4.70 2.30 0.00 0.69 0.64 2 R C C 164.71 3.37 9.31 14.56 111.49 -123.05 -83.19 129.78 77.74 5.26 17.00 56.39 11.28 9.59 8.21 9.10 0.01 3.08 2.35 3 S C C 67.18 4.98 10.17 16.81 115.13 -141.48 -98.02 143.78 65.58 8.69 25.73 49.01 8.87 7.52 9.78 16.20 0.01 5.77 2.84 4 L C C 105.95 6.52 10.28 18.11 101.99 -136.16 -83.02 -5.31 55.92 8.16 35.93 28.84 13.68 15.25 11.53 23.00 0.08 5.37 2.24 5 K C C 137.58 3.84 12.28 17.76 107.98 79.92 -88.81 98.85 59.27 9.50 31.24 29.45 13.67 18.02 10.29 19.59 0.14 6.09 2.75 6 K C C 134.23 4.48 12.63 18.86 111.71 75.96 -90.61 121.76 71.17 8.20 20.64 35.24 21.99 15.12 8.81 10.87 0.11 4.57 3.29 7 G C C 34.44 8.07 13.05 22.29 125.23 -101.59 123.94 -176.48 89.87 5.16 4.97 52.11 26.69 11.28 1.21 3.78 0.00 3.17 1.75 8 V C C 86.34 7.68 15.47 23.89 103.75 -53.26 -77.75 24.68 89.36 6.63 4.01 36.73 32.37 20.97 0.70 3.27 0.00 4.58 1.38 9 F C C 91.12 10.98 15.93 27.32 114.05 58.46 -99.83 121.40 65.02 31.10 3.88 38.30 14.05 13.61 1.32 2.85 0.03 22.13 7.71 10 V C C 45.85 15.62 13.80 29.43 120.37 -157.93 -109.48 132.15 68.84 30.14 1.02 60.54 6.30 0.75 0.71 0.41 0.00 19.31 11.98 11 D C C 54.15 10.24 15.63 27.08 109.72 -128.47 -81.15 121.22 96.80 2.13 1.07 94.99 1.80 0.51 0.76 0.17 0.00 1.32 0.45 12 D H H 98.68 4.61 15.91 22.14 93.73 -152.20 -64.88 -29.17 22.61 0.12 77.27 3.47 2.40 16.51 74.03 3.44 0.03 0.06 0.06 13 H H H 108.12 3.36 18.38 21.92 92.10 57.96 -66.20 -37.04 15.02 0.07 84.91 1.94 1.19 11.65 81.50 3.62 0.03 0.04 0.04 14 L H H 19.42 16.33 14.74 31.77 92.37 51.43 -64.86 -41.80 3.89 0.05 96.06 1.23 0.49 2.19 92.59 3.45 0.01 0.03 0.02 15 L H H 41.69 13.11 16.47 30.32 91.74 51.41 -63.20 -41.69 1.60 0.01 98.38 0.60 0.19 0.81 97.51 0.88 0.00 0.01 0.01 16 E H H 109.30 1.92 22.29 22.44 91.75 50.64 -63.94 -41.55 0.66 0.00 99.34 0.18 0.06 0.35 99.18 0.23 0.00 0.00 0.00 17 K H H 86.31 6.52 20.26 27.40 91.85 49.37 -65.11 -41.27 0.48 0.00 99.52 0.10 0.04 0.28 99.47 0.11 0.00 0.00 0.00 18 V H H 13.26 18.52 14.68 33.79 91.86 50.21 -64.23 -42.89 0.22 0.00 99.78 0.04 0.02 0.12 99.77 0.05 0.00 0.00 0.00 19 L H H 77.97 5.18 19.63 25.48 91.49 50.56 -63.41 -41.47 0.17 0.00 99.83 0.02 0.01 0.10 99.82 0.04 0.00 0.00 0.00 20 E H H 101.99 1.85 19.90 20.24 91.90 49.95 -64.55 -41.62 0.31 0.00 99.69 0.03 0.02 0.22 99.66 0.07 0.00 0.00 0.00 21 L H H 29.36 9.75 12.97 25.08 91.71 50.28 -64.39 -41.08 0.67 0.00 99.32 0.08 0.04 0.46 99.27 0.14 0.00 0.00 0.00 22 N H H 71.86 8.85 12.10 22.08 92.26 52.06 -64.92 -39.20 2.28 0.01 97.71 0.28 0.13 1.66 97.55 0.38 0.00 0.00 0.00 23 A H H 91.17 0.99 13.78 14.21 91.21 53.18 -66.80 -28.39 11.76 0.03 88.21 0.48 0.52 10.65 87.64 0.66 0.02 0.01 0.02 24 K C T 144.09 1.42 12.41 13.85 94.20 50.38 -87.07 0.00 71.51 0.08 28.41 1.06 2.61 65.82 29.31 1.10 0.01 0.02 0.07 25 G C T 60.11 1.46 12.35 14.55 95.16 -110.43 78.51 13.08 99.28 0.05 0.67 5.26 5.00 89.20 0.32 0.17 0.00 0.02 0.02 26 E C C 103.67 4.63 11.14 17.71 116.39 133.65 -94.88 135.97 98.64 0.66 0.70 87.50 9.16 1.95 0.22 0.46 0.00 0.31 0.40 27 K C C 129.71 6.25 13.15 21.14 110.88 -148.26 -91.45 106.37 98.04 1.24 0.72 86.95 8.80 2.29 0.15 0.62 0.00 0.81 0.37 28 R C C 115.66 7.31 17.35 25.74 125.09 118.47 -106.22 142.78 92.15 7.49 0.36 77.72 13.08 1.13 0.06 0.33 0.00 6.93 0.74 29 L C C 65.16 13.07 16.76 30.10 117.25 -124.47 -89.69 134.57 59.14 40.73 0.13 53.47 4.29 0.28 0.03 0.10 0.00 40.91 0.93 30 I E E 24.13 19.49 15.68 35.54 118.42 -149.70 -105.87 130.32 13.23 86.74 0.03 13.06 0.36 0.03 0.02 0.01 0.00 84.99 1.53 31 K E E 105.77 7.98 23.12 31.75 116.59 -144.39 -94.94 130.58 11.54 88.44 0.03 11.38 0.34 0.03 0.01 0.01 0.00 87.32 0.92 32 T E E 23.03 20.63 13.99 34.07 128.66 -170.75 -122.95 147.41 42.19 57.69 0.12 39.54 1.71 0.20 0.03 0.08 0.00 56.95 1.49 33 W C C 129.11 7.62 21.02 29.24 101.52 -157.13 -96.49 -9.85 77.19 22.37 0.44 41.57 33.78 2.61 0.08 0.41 0.00 20.14 1.42 34 S C C 30.73 13.63 16.46 30.60 125.04 68.34 -114.69 140.76 88.45 10.29 1.26 61.06 22.74 4.64 0.21 1.29 0.00 8.16 1.89 35 R C T 125.89 10.58 17.50 28.38 104.70 -166.55 -89.06 -7.38 86.46 5.53 8.01 19.20 32.74 34.88 0.65 7.56 0.00 3.81 1.15 36 R C T 149.50 4.17 21.12 25.79 100.65 57.18 -91.42 24.50 85.80 5.92 8.28 17.73 34.00 34.52 0.56 7.91 0.01 4.22 1.05 37 S C C 19.33 19.08 13.77 32.58 123.17 108.45 -89.97 150.40 77.63 14.63 7.74 58.53 14.50 4.19 0.68 7.53 0.00 13.35 1.22 38 T E E 59.49 8.54 24.85 33.93 121.79 -140.41 -110.86 137.14 32.69 66.89 0.42 27.77 3.43 0.40 0.23 0.27 0.00 56.94 10.96 39 I E E 20.72 22.96 15.68 38.70 116.37 -148.65 -100.67 127.11 25.35 74.59 0.06 24.34 1.04 0.04 0.04 0.03 0.00 53.16 21.36 40 V C C 38.57 11.11 20.25 32.45 114.43 -146.57 -90.52 128.74 99.02 0.97 0.01 99.00 0.31 0.01 0.00 0.00 0.00 0.60 0.07 41 P H G 68.68 10.43 16.73 28.10 91.45 -123.01 -58.25 -31.60 7.99 0.09 91.92 0.63 0.61 5.51 0.99 92.18 0.00 0.07 0.00 42 E H G 122.69 4.20 20.81 26.00 89.30 64.85 -67.45 -16.25 6.64 0.05 93.31 0.19 0.35 5.35 0.75 93.31 0.00 0.04 0.00 43 M H G 12.05 21.95 14.18 36.80 93.80 57.97 -93.25 -7.90 7.14 0.06 92.79 0.58 0.59 4.52 0.72 93.54 0.00 0.04 0.00 44 V C T 52.69 14.79 15.57 30.88 112.75 115.08 -61.72 132.79 97.55 0.97 1.48 0.54 1.29 96.50 0.20 0.61 0.00 0.32 0.54 45 G C T 44.74 3.99 21.96 26.74 94.18 22.92 86.00 -4.48 99.60 0.20 0.20 0.25 1.72 97.76 0.01 0.11 0.00 0.14 0.01 46 H C C 44.04 15.94 16.48 32.74 123.43 123.37 -86.05 152.68 95.87 4.11 0.03 87.79 7.77 0.13 0.00 0.03 0.00 4.13 0.15 47 T E E 44.14 10.84 24.28 35.81 118.68 -129.62 -105.25 131.84 1.74 98.26 0.00 1.75 0.05 0.00 0.00 0.00 0.00 97.95 0.24 48 I E E 4.96 24.85 18.21 43.67 124.84 -169.99 -120.45 138.38 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 A E E 16.58 13.09 25.49 39.57 117.89 -144.71 -101.74 131.69 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 50 V E E 7.55 21.89 19.22 41.52 120.88 -163.87 -115.20 130.47 0.41 99.59 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.01 51 Y E E 50.27 12.46 18.84 32.59 115.34 -155.86 -105.36 123.33 7.53 92.42 0.05 6.08 0.94 0.16 0.01 0.03 0.00 92.58 0.20 52 N E E 62.59 9.19 16.66 27.36 101.84 176.33 -109.14 29.07 43.49 55.41 1.10 24.17 11.91 8.69 0.10 1.14 0.00 53.22 0.77 53 G C T 44.21 6.14 14.80 21.71 98.87 -85.71 77.97 -12.47 98.25 0.56 1.20 2.37 32.01 63.69 0.03 1.41 0.00 0.36 0.12 54 K C T 157.47 1.38 15.04 16.27 103.77 38.81 -100.14 -24.39 98.24 0.80 0.96 2.63 38.75 56.86 0.04 1.04 0.00 0.54 0.14 55 Q E E 120.30 1.94 16.74 18.78 125.62 31.61 -124.40 146.59 30.80 69.06 0.14 20.70 9.84 0.96 0.02 0.13 0.00 67.59 0.76 56 H E E 89.11 14.45 11.10 25.18 119.10 -128.57 -97.41 133.62 9.69 90.30 0.01 8.83 0.47 0.03 0.00 0.00 0.00 90.37 0.30 57 V E E 51.40 9.05 18.16 28.83 120.45 -168.09 -122.61 126.10 2.73 97.26 0.00 2.46 0.09 0.00 0.00 0.00 0.00 97.42 0.03 58 P E E 73.44 8.71 19.58 28.93 114.87 -120.16 -69.76 140.45 1.77 98.23 0.00 1.65 0.02 0.00 0.00 0.00 0.00 98.31 0.01 59 V E E 17.19 20.43 15.19 35.54 126.50 -172.38 -126.48 139.29 0.65 99.35 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.34 0.02 60 Y E E 107.86 7.22 25.01 32.69 115.61 -135.23 -96.32 129.86 1.49 98.51 0.00 1.44 0.03 0.00 0.00 0.00 0.00 98.43 0.10 61 I E E 8.63 24.65 12.97 38.22 114.97 -144.56 -95.87 125.59 29.67 70.30 0.02 29.54 0.39 0.02 0.01 0.01 0.00 69.46 0.57 62 T C C 47.05 5.84 23.16 29.16 133.76 171.59 -128.67 168.78 93.72 6.15 0.13 91.73 2.38 0.12 0.04 0.06 0.00 5.19 0.48 63 E H G 114.17 9.42 14.81 25.21 90.84 -99.08 -59.78 -32.51 12.84 0.11 87.04 0.71 1.27 10.36 4.08 83.49 0.00 0.08 0.01 64 N H G 126.09 1.29 19.49 19.92 89.84 60.83 -69.65 -18.08 11.98 0.07 87.95 0.46 0.83 10.31 4.25 84.09 0.00 0.05 0.01 65 M H G 32.44 17.18 13.48 31.00 95.93 52.23 -97.27 -5.36 11.93 0.22 87.85 1.51 1.47 8.45 4.62 83.75 0.00 0.16 0.04 66 V C T 43.22 17.22 13.27 30.43 112.72 115.01 -64.46 134.24 83.39 4.69 11.92 5.49 6.26 71.46 7.04 4.70 0.10 2.44 2.51 67 G C T 40.12 6.85 20.14 27.95 95.76 21.65 83.03 -3.77 89.28 1.04 9.68 5.13 8.01 76.01 5.05 4.64 0.02 0.64 0.51 68 H C C 78.89 10.67 17.64 28.75 111.86 118.25 -82.87 -23.47 66.62 3.87 29.51 37.80 14.57 14.92 16.17 12.36 0.05 1.74 2.39 69 K C T 100.24 9.74 21.27 30.61 97.19 -94.51 -67.38 -27.76 46.50 7.28 46.22 11.23 10.66 24.46 23.79 20.69 1.38 3.91 3.88 70 L H G 38.95 19.24 16.19 34.25 97.98 36.18 -72.28 -18.81 44.33 4.03 51.64 6.76 8.71 27.03 23.52 28.44 0.98 2.34 2.22 71 G H G 25.39 13.22 17.77 30.53 97.32 48.55 -37.32 -18.61 43.89 2.88 53.24 11.42 8.95 24.07 18.31 34.12 0.17 1.55 1.40 72 E C T 103.09 7.14 19.10 26.89 94.45 72.50 -73.53 -21.36 56.00 3.44 40.57 11.66 11.91 32.11 13.00 27.47 0.15 2.09 1.59 73 F C T 96.58 10.34 16.31 27.02 99.42 45.65 -98.41 -1.20 62.45 6.93 30.63 16.94 16.84 30.08 10.25 18.42 0.33 3.56 3.57 74 A C C 34.87 14.10 12.19 26.64 119.09 97.23 -94.87 139.58 89.93 5.29 4.77 44.04 42.25 4.05 2.37 2.14 0.00 2.82 2.31 75 P C C 78.36 6.60 15.17 22.92 109.83 -109.01 -68.32 144.60 87.52 4.60 7.88 61.73 14.67 10.87 2.56 5.57 0.00 2.95 1.65 76 T C C 83.32 7.65 12.38 21.23 112.09 -142.00 -96.27 125.37 81.58 10.42 8.00 58.37 13.13 9.40 2.75 5.48 0.01 6.35 4.50 77 R C C 137.70 6.29 12.38 20.18 117.15 -161.84 -103.51 130.67 81.48 12.85 5.67 59.61 16.18 5.08 2.68 3.18 0.01 8.50 4.76 78 T C C 88.38 4.64 12.46 18.82 116.59 -149.64 -103.02 132.43 81.83 12.89 5.28 61.03 15.59 4.93 2.65 2.70 0.00 9.23 3.86 79 Y C C 132.24 7.36 9.70 18.45 113.69 -144.91 -92.40 127.37 79.97 12.35 7.68 58.59 14.10 6.58 4.45 3.44 0.01 8.03 4.79 80 R C C 163.68 2.78 11.55 15.84 109.57 -161.35 -93.76 101.91 80.18 7.13 12.69 40.70 17.87 22.55 6.65 5.48 0.02 4.43 2.31 81 G C C 48.97 3.59 12.08 16.97 109.65 5.38 87.44 -28.83 81.17 4.25 14.58 33.79 22.57 25.89 7.45 6.34 0.02 2.28 1.67 82 H C C 113.42 5.89 10.17 17.45 107.00 52.98 -93.36 34.08 73.85 4.03 22.12 40.47 17.97 15.84 13.43 8.23 0.03 1.91 2.13 83 G C C 40.11 5.02 11.69 18.11 111.08 54.89 -47.23 -145.48 64.75 2.02 33.23 30.11 16.85 18.55 20.63 11.81 0.03 0.93 1.09 84 K C H 143.88 2.53 12.21 15.73 97.01 -13.54 -72.03 -27.91 53.80 1.73 44.47 25.44 14.62 14.87 29.97 13.37 0.05 0.80 0.88 85 E C H 122.84 3.03 11.94 16.12 98.19 60.15 -74.62 -24.62 49.31 1.95 48.74 30.32 9.85 9.93 36.00 12.06 0.03 0.99 0.83 86 A C H 59.74 5.54 10.51 17.69 100.88 69.99 -75.53 -13.39 50.38 1.84 47.78 34.18 8.64 8.43 38.68 8.36 0.01 0.97 0.73 87 K C H 128.62 3.80 10.90 16.17 103.26 65.41 -80.71 7.55 50.90 2.13 46.96 34.88 8.31 8.65 39.26 6.92 0.01 1.14 0.83 88 A C H 71.50 3.59 9.93 15.12 106.19 65.70 -83.37 52.74 54.59 2.40 43.02 35.48 9.41 10.25 35.86 6.76 0.02 1.34 0.88 89 T C C 92.38 3.31 9.14 14.09 106.97 75.15 -87.82 73.47 63.21 3.33 33.46 38.35 12.46 12.43 27.03 6.62 0.02 1.93 1.16 90 K C C 145.92 2.42 8.10 12.23 108.59 93.10 -89.14 107.19 70.93 6.27 22.80 45.27 13.86 11.43 17.95 5.43 0.02 3.73 2.31 91 K C C 151.46 2.07 7.76 11.53 109.45 -131.68 -87.80 111.94 84.13 4.98 10.90 73.91 2.73 7.37 8.86 2.04 0.00 2.83 2.25 92 K C C 151.17 2.37 10.25 14.19 108.51 -138.72 -85.51 111.11 99.84 0.09 0.06 99.62 0.15 0.13 0.04 0.00 0.00 0.05 0.01