# 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 99.65 7.55 11.78 20.68 117.81 -148.94 -92.92 136.65 99.92 0.07 0.01 99.80 0.13 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 90.69 3.95 11.21 16.97 113.28 -109.81 -67.72 148.13 89.84 1.15 9.01 86.69 0.81 3.95 5.15 2.24 0.00 0.57 0.60 2 R C C 161.76 3.63 9.45 15.01 110.09 -123.54 -81.03 129.54 78.30 4.54 17.15 57.97 10.73 9.12 9.01 8.40 0.01 2.52 2.25 3 S C C 64.55 5.15 10.47 17.27 114.13 -141.72 -94.27 143.08 66.66 7.59 25.75 50.62 8.64 7.10 10.53 15.48 0.01 4.81 2.81 4 L C C 105.13 6.67 10.30 18.26 100.34 -132.05 -81.34 -14.03 54.45 7.48 38.07 27.46 13.45 15.53 11.73 24.74 0.07 4.89 2.12 5 K C C 140.11 3.59 12.43 17.52 107.19 75.71 -86.48 84.07 57.16 9.21 33.63 26.98 13.73 18.69 10.30 21.60 0.14 5.97 2.61 6 K C C 137.72 3.85 12.75 18.24 110.41 97.26 -91.86 107.68 69.49 8.20 22.31 33.58 22.84 14.52 8.35 12.66 0.11 4.46 3.46 7 G C C 30.99 8.33 12.70 22.24 131.46 -97.90 143.72 175.48 93.56 4.63 1.80 51.48 35.16 7.17 0.39 1.45 0.00 2.75 1.59 8 P C C 81.35 6.90 15.34 23.21 105.48 -47.18 -72.23 100.92 93.02 5.06 1.92 41.67 33.77 18.00 0.30 1.74 0.00 3.54 0.97 9 F C C 96.22 10.78 15.18 26.46 113.81 -130.42 -96.60 125.27 64.95 32.88 2.17 43.49 13.06 8.18 0.85 1.62 0.01 23.92 8.87 10 V C C 53.57 14.16 14.12 28.57 119.11 -161.03 -105.04 130.37 67.00 32.17 0.83 60.20 5.13 0.62 0.60 0.34 0.00 22.79 10.32 11 D C C 57.10 10.36 15.47 26.99 107.59 -125.23 -83.11 112.87 92.38 6.64 0.99 91.45 1.43 0.38 0.68 0.18 0.00 4.71 1.17 12 A H H 67.33 5.39 15.53 22.61 93.86 -162.54 -66.58 -32.36 7.66 0.06 92.28 2.81 0.91 3.95 90.45 1.82 0.01 0.03 0.02 13 H H H 120.62 2.50 18.58 20.98 91.70 56.85 -65.04 -38.47 3.91 0.03 96.06 0.81 0.36 2.63 94.04 2.13 0.01 0.02 0.01 14 L H H 21.49 15.68 14.90 31.31 92.32 50.86 -65.62 -41.17 1.29 0.01 98.70 0.31 0.11 0.77 96.76 2.03 0.00 0.01 0.00 15 F H H 56.81 14.15 16.38 30.77 91.87 52.42 -62.90 -42.08 0.50 0.00 99.49 0.12 0.04 0.28 99.16 0.40 0.00 0.00 0.00 16 A H H 59.14 2.28 21.94 22.84 91.32 50.62 -63.69 -41.50 0.42 0.00 99.58 0.07 0.03 0.26 99.51 0.13 0.00 0.00 0.00 17 K H H 97.50 5.91 20.98 27.31 92.04 49.52 -65.40 -40.89 0.47 0.00 99.53 0.08 0.03 0.30 99.49 0.10 0.00 0.00 0.00 18 V H H 12.14 19.93 15.04 35.21 92.01 50.29 -64.15 -42.87 0.29 0.00 99.71 0.06 0.02 0.16 99.72 0.05 0.00 0.00 0.00 19 E H H 96.32 5.38 21.11 26.96 91.51 50.83 -63.54 -41.55 0.25 0.00 99.74 0.04 0.02 0.15 99.75 0.05 0.00 0.00 0.00 20 A H H 54.57 2.19 20.77 21.77 91.52 50.09 -64.00 -41.42 0.43 0.00 99.57 0.05 0.03 0.29 99.54 0.09 0.00 0.00 0.00 21 A H H 14.49 11.18 13.44 27.03 91.57 51.11 -63.85 -41.30 0.92 0.00 99.07 0.14 0.06 0.60 99.01 0.19 0.00 0.00 0.00 22 V H H 60.98 10.18 13.50 24.57 92.50 50.14 -64.96 -40.86 2.66 0.02 97.32 0.37 0.20 1.85 97.16 0.40 0.00 0.01 0.00 23 A H H 89.86 0.99 15.34 15.38 91.32 52.46 -66.50 -31.41 9.52 0.04 90.44 0.61 0.61 7.89 90.36 0.48 0.02 0.01 0.02 24 S C T 73.08 2.27 12.55 15.54 94.51 48.50 -89.19 0.96 68.13 0.15 31.72 2.48 4.98 57.21 34.10 1.06 0.01 0.04 0.11 25 N C T 135.00 1.45 12.92 15.39 93.88 -120.11 60.00 32.28 97.21 0.13 2.67 11.23 9.12 77.11 1.77 0.65 0.00 0.06 0.06 26 S C C 52.71 6.39 11.39 19.60 116.12 139.77 -99.98 135.73 98.04 0.61 1.35 75.33 16.42 6.14 0.36 1.07 0.00 0.29 0.39 27 R C C 154.43 5.87 13.56 21.31 100.39 -155.59 -91.68 10.82 98.08 1.02 0.90 78.22 16.49 3.18 0.17 0.88 0.00 0.50 0.57 28 K C C 115.05 4.24 17.86 23.45 119.54 123.86 -91.14 141.00 98.52 1.44 0.04 72.48 26.10 0.20 0.01 0.03 0.00 0.91 0.27 29 P C C 60.21 11.65 16.64 28.81 115.72 -103.87 -65.78 147.99 95.69 4.29 0.02 89.80 5.83 0.16 0.00 0.02 0.00 3.93 0.26 30 I E E 25.72 20.51 13.99 34.64 115.95 -127.73 -97.40 131.03 18.22 81.75 0.03 17.44 0.54 0.03 0.02 0.02 0.00 74.05 7.89 31 K E E 110.36 6.74 23.19 30.72 116.65 -144.59 -96.16 131.74 18.01 81.96 0.03 17.39 0.63 0.04 0.01 0.01 0.00 80.21 1.69 32 T E E 27.27 20.59 13.33 33.17 126.59 -170.87 -118.94 143.97 46.84 52.99 0.17 42.90 2.58 0.33 0.04 0.13 0.00 52.22 1.80 33 W C C 130.30 7.31 20.16 28.16 103.93 -162.18 -100.23 -3.72 75.46 23.93 0.61 44.65 28.63 3.19 0.11 0.57 0.00 20.96 1.87 34 S C C 35.71 12.44 15.90 29.01 123.03 52.08 -114.79 139.54 86.11 12.09 1.81 57.66 22.91 5.55 0.33 1.75 0.00 9.81 1.99 35 R C S 129.82 10.19 16.61 27.29 99.24 -167.41 -90.56 -15.42 79.66 6.89 13.45 27.89 30.81 22.14 1.38 11.60 0.01 4.77 1.39 36 R C S 146.09 4.58 20.40 25.41 101.35 59.74 -93.38 7.40 78.86 7.29 13.85 23.58 34.13 22.30 1.11 12.27 0.01 5.35 1.24 37 S C C 23.13 18.29 13.96 31.98 119.70 108.23 -93.39 144.73 67.67 18.06 14.27 48.55 13.10 6.19 1.34 12.97 0.00 16.61 1.24 38 M E E 79.99 9.20 23.30 33.07 121.42 -149.21 -110.98 135.01 33.43 65.19 1.39 28.34 3.86 0.95 0.59 0.97 0.01 57.70 7.59 39 I E E 27.15 21.52 15.68 37.24 116.40 -150.67 -100.11 127.85 24.73 75.16 0.11 23.35 1.11 0.06 0.09 0.05 0.00 53.58 21.76 40 L C C 45.89 11.11 19.38 31.55 112.93 -135.25 -82.83 129.80 98.73 1.25 0.02 98.58 0.48 0.02 0.00 0.01 0.00 0.82 0.09 41 P H G 69.62 10.25 16.23 27.51 91.39 -126.64 -58.94 -31.58 10.81 0.14 89.05 1.06 0.93 7.24 1.01 89.63 0.00 0.12 0.01 42 D H G 99.57 3.92 20.57 25.49 89.41 64.61 -68.19 -15.60 9.73 0.08 90.18 0.31 0.56 7.88 0.78 90.39 0.00 0.06 0.01 43 F H G 16.89 21.30 13.88 35.73 94.40 58.35 -93.33 -5.56 9.68 0.11 90.21 0.90 0.87 6.13 0.77 91.24 0.00 0.08 0.01 44 V C T 53.84 14.34 15.72 30.65 112.90 116.22 -62.44 132.69 97.20 1.19 1.62 0.60 1.47 95.99 0.21 0.73 0.00 0.42 0.58 45 G C T 44.23 4.03 22.03 26.86 94.01 22.67 85.41 -3.31 99.51 0.23 0.26 0.30 1.75 97.60 0.01 0.17 0.00 0.16 0.02 46 L C C 27.19 17.58 15.61 33.72 120.01 127.61 -78.90 147.03 95.37 4.60 0.03 89.68 5.37 0.12 0.00 0.02 0.00 4.66 0.14 47 T E E 44.34 10.38 24.68 35.81 118.17 -137.13 -105.73 130.23 1.46 98.53 0.00 1.46 0.05 0.00 0.00 0.00 0.00 98.29 0.20 48 I E E 5.04 24.87 18.08 43.59 124.74 -169.95 -120.24 136.98 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 S E E 17.38 12.62 25.31 38.96 118.25 -144.14 -100.14 132.89 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 50 V E E 8.28 21.64 19.02 41.08 120.39 -164.01 -115.25 129.28 0.47 99.53 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.55 0.01 51 H E E 45.20 12.26 18.60 32.15 114.47 -153.09 -102.16 121.88 7.13 92.81 0.06 5.74 0.91 0.18 0.01 0.04 0.00 92.91 0.21 52 N E E 62.30 9.28 16.42 27.25 101.82 177.23 -107.69 25.57 39.44 59.68 0.88 23.51 10.50 6.58 0.09 0.90 0.00 57.64 0.78 53 G C T 45.01 5.87 14.77 21.37 98.92 -85.65 77.04 -14.72 98.46 0.55 0.99 1.97 30.36 66.03 0.03 1.13 0.00 0.37 0.11 54 R C T 181.19 1.20 14.95 15.74 103.48 37.96 -98.32 -25.03 98.50 0.72 0.78 2.18 34.83 61.51 0.03 0.84 0.00 0.49 0.12 55 N E E 104.21 2.10 16.68 19.07 128.47 30.83 -129.38 146.34 26.46 73.43 0.11 18.79 7.55 0.76 0.02 0.10 0.00 72.07 0.72 56 H E E 87.07 14.90 10.94 25.38 121.20 -134.17 -104.00 135.17 7.36 92.63 0.01 6.66 0.37 0.02 0.00 0.00 0.00 92.65 0.29 57 V E E 54.72 8.54 18.55 28.61 121.05 -167.67 -122.78 127.29 2.87 97.12 0.00 2.57 0.09 0.00 0.00 0.00 0.00 97.31 0.03 58 P E E 74.02 8.89 19.30 28.85 114.72 -119.06 -69.54 140.62 2.09 97.91 0.00 1.93 0.03 0.00 0.00 0.00 0.00 98.02 0.01 59 V E E 17.91 20.10 15.16 35.28 126.06 -172.23 -126.01 138.48 0.75 99.25 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.25 0.02 60 I E E 76.71 7.42 25.02 32.91 115.50 -134.79 -95.15 127.74 1.44 98.56 0.00 1.43 0.03 0.00 0.00 0.00 0.00 98.45 0.10 61 V E E 7.92 24.54 12.97 38.15 114.49 -146.75 -97.00 126.00 28.26 71.71 0.03 27.76 0.48 0.02 0.01 0.01 0.00 71.13 0.58 62 T C C 47.46 5.91 23.07 29.17 133.93 169.46 -129.72 170.54 92.45 7.36 0.19 89.19 3.38 0.17 0.09 0.08 0.00 6.60 0.50 63 E H G 112.24 9.69 15.05 25.60 90.89 -97.09 -60.44 -32.48 19.02 0.16 80.82 1.09 2.14 15.47 11.42 69.73 0.00 0.11 0.04 64 H H G 148.36 1.64 19.51 20.71 90.89 59.72 -72.37 -18.99 18.43 0.11 81.46 0.70 1.33 16.16 11.53 70.18 0.00 0.07 0.03 65 M H G 35.07 16.70 14.09 31.04 96.30 51.48 -96.21 -7.43 17.05 0.36 82.59 2.04 1.91 12.96 13.04 69.70 0.00 0.25 0.10 66 V C T 38.59 17.89 13.92 31.60 112.32 114.18 -66.40 134.67 63.76 4.72 31.52 4.90 5.47 51.58 22.55 10.20 0.34 2.83 2.12 67 G C T 33.36 9.17 19.79 29.57 95.44 20.81 83.26 -3.99 70.71 1.13 28.15 5.05 5.71 58.23 18.09 11.56 0.06 0.71 0.57 68 H H H 83.82 9.72 18.28 28.61 94.78 111.32 -67.95 -35.29 43.33 3.24 53.43 15.62 7.95 19.60 27.55 25.95 0.13 1.99 1.21 69 K H H 96.78 10.45 20.11 30.29 95.59 52.63 -71.49 -31.54 38.53 5.42 56.05 8.64 7.13 21.59 29.34 26.94 0.78 3.53 2.06 70 L H G 43.35 17.25 15.74 32.34 95.59 48.82 -77.58 -15.41 42.38 4.58 53.04 7.62 8.77 24.73 25.27 27.55 1.15 2.62 2.30 71 G C T 29.99 10.99 17.82 28.79 100.36 39.09 27.32 -17.62 56.88 3.30 39.82 14.83 12.06 30.77 13.73 24.97 0.18 1.66 1.80 72 E C T 103.66 7.11 18.28 26.04 96.06 74.79 -74.27 -23.29 63.09 3.66 33.24 15.21 13.88 34.54 9.16 23.31 0.10 2.12 1.69 73 F C T 96.36 10.42 15.27 26.09 99.90 47.19 -95.43 4.08 65.44 6.61 27.95 23.68 16.41 27.17 7.76 18.36 0.12 3.39 3.12 74 A C C 39.63 12.33 12.18 25.25 116.86 112.35 -85.06 141.17 81.69 5.67 12.64 48.91 25.40 7.68 4.76 7.60 0.01 3.10 2.54 75 P C C 85.71 6.07 14.00 21.37 105.51 -110.34 -69.51 108.58 80.76 5.27 13.97 50.10 15.45 15.24 3.77 10.35 0.00 3.46 1.62 76 T C C 89.10 5.44 12.46 19.31 108.40 60.25 -94.65 67.67 76.02 11.28 12.71 49.75 13.39 12.82 3.64 9.30 0.01 7.73 3.36 77 R C C 137.44 6.60 11.41 19.42 115.86 28.73 -102.16 126.43 78.07 15.94 6.00 57.06 15.43 5.10 2.75 3.51 0.01 11.39 4.76 78 T C C 91.83 3.95 12.35 18.16 118.44 -150.42 -105.41 133.47 77.68 17.91 4.41 59.44 13.63 4.29 2.05 2.47 0.00 13.91 4.21 79 Y C C 134.65 7.37 9.62 18.39 115.16 -145.75 -94.38 129.15 75.61 18.77 5.62 58.22 11.44 5.07 3.00 2.86 0.01 13.52 5.89 80 R C C 166.87 2.58 11.60 15.75 111.35 -157.10 -95.81 116.69 79.43 10.92 9.65 42.42 17.20 20.74 4.14 5.11 0.02 7.59 2.78 81 G C C 47.83 3.93 11.88 17.33 113.82 -4.21 102.83 -171.00 81.54 6.16 12.30 32.02 24.34 26.36 4.98 6.66 0.03 3.76 1.86 82 H C C 125.27 5.30 10.83 17.59 110.44 -67.77 -90.28 113.37 75.21 7.40 17.39 38.66 19.97 17.36 8.39 8.52 0.05 4.10 2.95 83 G C C 45.22 5.36 12.15 18.71 108.23 47.02 -28.14 18.16 73.53 5.23 21.23 41.37 17.54 14.99 11.00 10.00 0.03 2.86 2.21 84 V C C 90.76 5.58 11.03 18.03 104.79 123.01 -85.65 25.84 66.57 3.96 29.46 34.69 17.12 15.53 16.16 12.66 0.04 2.09 1.71 85 D C C 91.17 4.99 10.96 17.43 106.99 73.09 -86.79 86.18 68.33 3.23 28.44 41.54 13.26 13.55 16.54 11.93 0.01 1.78 1.38 86 K C C 127.96 4.44 10.47 16.54 106.68 122.80 -85.29 79.15 67.89 3.27 28.84 45.29 12.93 9.53 18.75 10.27 0.01 1.75 1.46 87 K C C 138.96 3.12 10.31 15.02 106.65 87.62 -83.35 81.69 68.04 4.42 27.54 43.15 11.92 12.90 16.46 11.18 0.02 2.49 1.89 88 S C C 73.67 4.43 7.76 13.90 109.27 81.43 -85.33 112.50 74.19 4.25 21.57 44.69 13.23 16.63 10.78 10.46 0.01 2.53 1.67 89 K C C 154.38 1.90 8.70 12.15 108.93 -147.91 -89.99 95.09 83.25 3.90 12.85 69.86 2.86 11.71 6.45 4.93 0.00 2.37 1.82 90 R C C 166.30 2.81 10.21 14.77 110.13 -130.88 -87.12 116.82 99.79 0.16 0.05 99.59 0.17 0.10 0.02 0.01 0.00 0.09 0.02