# 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 47.52 5.07 12.62 19.20 116.72 -153.62 -97.96 156.12 99.91 0.07 0.02 99.79 0.10 0.05 0.01 0.00 0.00 0.03 0.01 1 R C C 158.59 3.81 9.73 15.38 112.57 -138.85 -95.00 130.32 82.05 4.26 13.69 76.91 1.61 4.93 7.02 5.15 0.00 2.56 1.81 2 A C C 74.40 4.15 9.39 15.32 114.14 -146.53 -92.71 130.50 67.29 9.46 23.25 49.67 9.51 8.29 7.85 15.32 0.01 6.66 2.69 3 V C C 103.72 4.53 10.28 16.34 102.93 -144.30 -84.92 -4.41 59.23 11.82 28.95 33.59 14.98 12.78 8.12 19.44 0.06 8.34 2.69 4 W C C 155.55 6.02 10.65 18.09 107.23 66.70 -92.32 53.28 60.39 13.79 25.82 36.83 12.16 12.81 7.37 17.64 0.06 9.71 3.42 5 R C C 151.84 4.26 12.98 18.89 111.26 134.56 -94.09 109.46 73.62 13.53 12.85 45.12 18.73 9.98 5.98 6.86 0.04 8.08 5.22 6 G C C 31.55 8.20 13.69 22.97 130.77 -75.19 140.17 176.36 90.22 7.56 2.22 44.48 35.19 11.26 0.46 1.81 0.00 4.91 1.90 7 P C S 76.28 8.09 15.47 24.36 103.44 -38.41 -72.47 38.46 92.65 5.40 1.95 31.82 36.95 24.46 0.34 1.60 0.00 3.95 0.87 8 Y C C 110.43 10.10 16.75 27.24 115.62 62.62 -99.42 126.53 63.10 34.49 2.41 38.90 13.54 11.52 0.92 1.79 0.03 26.53 6.77 9 V C C 37.95 17.30 14.15 31.24 120.90 -163.88 -109.26 132.70 61.15 37.93 0.92 54.72 5.08 0.64 0.71 0.37 0.00 25.17 13.31 10 S C C 37.91 10.61 17.59 29.36 108.85 -122.80 -81.46 120.26 91.26 7.37 1.37 89.93 1.65 0.46 1.06 0.24 0.00 5.62 1.03 11 V H H 80.44 8.52 16.84 26.51 93.86 -155.49 -65.06 -31.51 21.41 0.41 78.19 7.56 2.65 11.37 74.52 3.48 0.03 0.27 0.13 12 S H H 59.76 3.75 20.01 24.01 91.55 61.51 -63.66 -36.38 14.73 0.28 84.98 4.52 1.64 8.75 80.67 4.11 0.03 0.18 0.10 13 L H H 20.29 16.90 16.72 34.13 92.39 51.83 -64.97 -40.93 3.93 0.09 95.99 1.75 0.55 1.74 92.37 3.51 0.00 0.06 0.02 14 L H H 28.20 17.69 17.11 34.67 91.86 52.21 -63.33 -41.68 1.16 0.02 98.83 0.48 0.14 0.53 98.07 0.77 0.00 0.01 0.00 15 E H H 108.65 2.94 23.25 25.57 91.74 51.54 -63.70 -40.77 0.75 0.01 99.23 0.24 0.08 0.39 98.99 0.29 0.00 0.01 0.00 16 Q H H 77.35 7.08 21.87 29.31 91.84 50.36 -64.86 -41.35 0.67 0.01 99.32 0.18 0.06 0.38 99.17 0.19 0.00 0.01 0.00 17 V H H 9.54 21.12 16.69 38.16 91.44 50.36 -64.44 -42.73 0.46 0.01 99.53 0.12 0.04 0.25 99.49 0.10 0.00 0.01 0.00 18 I H H 61.56 9.73 20.32 30.67 91.64 50.67 -63.31 -41.80 0.58 0.01 99.40 0.14 0.04 0.33 99.37 0.12 0.00 0.01 0.00 19 T H H 68.40 2.39 22.31 23.35 91.55 49.76 -64.11 -41.90 1.24 0.02 98.74 0.25 0.08 0.77 98.67 0.21 0.00 0.01 0.00 20 F H H 39.36 11.52 17.06 30.08 91.94 49.98 -65.04 -40.76 2.14 0.03 97.83 0.41 0.18 1.37 97.62 0.39 0.00 0.01 0.00 21 A H H 23.65 15.73 13.43 29.36 91.85 52.65 -65.21 -36.70 5.92 0.06 94.01 0.97 0.48 4.24 93.48 0.77 0.02 0.03 0.02 22 K H H 143.19 2.07 17.71 19.94 92.16 51.83 -67.71 -32.32 16.88 0.11 83.02 1.46 1.22 13.85 82.23 1.10 0.04 0.04 0.05 23 R H H 150.72 2.40 16.10 18.55 96.08 47.23 -82.59 -22.52 31.76 0.45 67.79 4.69 6.32 21.42 65.83 1.20 0.12 0.14 0.28 24 N C C 54.91 10.05 11.31 22.60 109.19 38.33 -119.32 88.26 89.85 0.94 9.21 68.65 15.37 5.06 7.89 2.06 0.00 0.42 0.55 25 P C G 79.83 6.08 13.04 20.99 94.82 170.89 -64.30 -27.02 49.74 1.07 49.19 21.02 6.36 21.68 18.25 31.63 0.01 0.65 0.41 26 E H G 119.61 3.25 16.17 20.04 93.65 64.75 -69.20 -27.93 39.51 3.19 57.30 12.72 6.50 19.97 21.91 35.85 0.11 2.17 0.78 27 W H G 74.91 12.81 13.26 26.45 95.49 56.26 -73.11 -30.35 32.47 6.32 61.22 14.60 6.31 12.42 24.10 36.58 0.09 4.81 1.10 28 W C C 91.30 12.61 13.79 26.48 98.93 55.59 -82.61 -19.80 45.82 12.21 41.97 22.54 9.98 14.01 21.69 20.05 0.26 8.61 2.86 29 N C C 91.28 4.61 16.80 22.12 101.45 70.23 -84.94 18.13 58.27 11.54 30.19 30.56 11.51 17.16 16.65 12.94 0.26 7.73 3.18 30 I C C 70.05 10.99 12.02 23.71 98.07 100.02 -75.12 -19.21 57.57 5.68 36.75 24.15 13.34 21.05 17.16 18.56 0.33 3.21 2.19 31 G C T 45.19 4.95 15.00 21.00 98.22 53.60 -54.10 -27.10 61.13 2.70 36.16 19.14 12.07 30.06 14.46 21.40 0.12 1.53 1.22 32 R C C 136.26 5.20 15.03 21.24 98.96 62.87 -80.48 -14.12 58.80 4.59 36.61 24.69 12.28 23.28 12.48 22.75 0.12 2.59 1.81 33 F C C 66.49 14.75 9.82 23.99 108.42 79.42 -90.65 93.94 65.30 9.26 25.44 39.66 13.30 12.27 12.25 13.33 0.10 5.10 3.99 34 Q C C 125.17 3.68 13.67 18.86 111.01 -148.91 -82.46 122.14 79.75 5.22 15.04 40.38 12.79 27.42 7.41 6.87 0.02 2.95 2.17 35 G C T 55.60 2.67 13.78 17.55 105.36 12.51 81.79 -3.43 88.29 1.94 9.77 32.59 19.18 37.32 2.81 6.24 0.00 0.98 0.89 36 S C C 67.23 6.35 11.22 19.03 110.64 113.10 -88.04 111.28 90.06 2.63 7.31 46.31 23.99 19.71 1.56 5.91 0.00 1.35 1.18 37 K C C 143.56 3.26 14.66 19.32 110.99 -117.11 -91.02 122.47 89.62 5.71 4.68 52.84 25.49 10.94 1.08 3.87 0.00 2.90 2.88 38 A C C 47.27 11.65 12.30 24.64 117.66 -125.32 -85.67 139.66 94.47 3.98 1.56 71.43 21.41 1.70 0.44 1.22 0.00 2.19 1.61 39 P C C 59.94 11.91 14.27 26.64 110.69 -109.09 -69.91 148.84 91.53 3.70 4.76 70.70 13.11 7.10 0.80 4.66 0.00 2.78 0.85 40 E C C 116.31 5.39 20.63 26.76 115.90 -104.74 -90.27 141.16 83.00 11.93 5.07 55.89 20.33 6.48 0.76 4.77 0.00 10.48 1.29 41 A C C 37.18 16.42 16.80 32.53 117.53 -108.48 -75.44 144.23 66.61 32.02 1.37 56.68 7.43 1.45 0.29 1.07 0.00 31.53 1.55 42 I E E 18.21 21.27 16.85 38.21 118.31 -137.36 -102.91 130.23 20.20 79.64 0.16 18.87 1.07 0.14 0.09 0.09 0.00 76.06 3.68 43 N E E 78.36 8.89 24.81 34.03 115.79 -138.51 -91.20 130.24 15.01 84.91 0.08 14.22 0.75 0.08 0.04 0.04 0.00 82.48 2.39 44 T E E 16.99 22.56 14.33 36.24 125.29 -172.55 -120.33 142.70 47.32 52.46 0.21 43.22 2.62 0.41 0.06 0.15 0.00 50.94 2.59 45 F C C 103.31 7.77 22.11 30.43 99.74 -165.71 -94.33 -17.77 82.07 17.46 0.47 42.06 37.15 3.43 0.08 0.45 0.00 15.18 1.64 46 C C C 38.07 13.18 17.90 31.46 121.78 52.46 -108.47 135.40 90.81 8.08 1.10 54.85 30.74 5.56 0.19 1.10 0.00 5.68 1.88 47 R C S 119.70 12.34 17.11 29.30 96.15 -168.43 -83.60 -14.65 93.02 3.94 3.04 18.99 38.35 35.54 0.23 3.26 0.00 2.81 0.83 48 S C T 73.38 4.27 21.54 26.40 98.73 55.80 -93.38 7.07 90.48 6.34 3.17 26.22 30.10 34.02 0.16 3.63 0.00 5.07 0.78 49 S C C 17.19 18.93 14.36 33.32 124.84 116.17 -89.51 154.76 78.43 20.19 1.38 68.54 8.05 1.12 0.15 1.27 0.00 19.70 1.16 50 T E E 61.44 7.97 25.15 33.82 120.04 -128.02 -100.70 135.05 20.86 79.02 0.13 18.45 1.56 0.16 0.06 0.09 0.00 71.00 8.67 51 V E E 12.43 24.30 15.49 40.13 116.88 -148.27 -103.56 128.82 17.83 82.15 0.02 17.28 0.51 0.01 0.02 0.01 0.00 64.69 17.48 52 L C C 41.24 11.28 20.64 32.98 113.31 -127.82 -77.15 136.23 99.12 0.88 0.01 99.18 0.21 0.01 0.00 0.00 0.00 0.55 0.04 53 P H G 61.00 11.96 17.02 29.77 90.75 -120.95 -58.48 -32.38 12.36 0.11 87.53 0.69 0.78 9.45 0.86 88.12 0.00 0.09 0.01 54 D H G 92.76 5.20 21.35 27.62 89.13 64.86 -67.75 -16.11 11.78 0.06 88.16 0.20 0.45 10.80 0.63 87.89 0.00 0.04 0.00 55 F H G 12.12 22.34 14.77 37.84 94.13 56.65 -93.21 -7.29 10.17 0.11 89.72 0.65 0.78 7.21 0.72 90.58 0.00 0.07 0.01 56 L C T 55.10 15.62 16.16 32.03 112.26 115.28 -62.16 132.27 97.75 1.08 1.17 0.53 1.22 96.72 0.13 0.49 0.00 0.36 0.54 57 G C T 42.79 4.36 22.30 27.61 94.25 22.78 86.07 -3.53 99.66 0.19 0.16 0.26 1.62 97.90 0.01 0.10 0.00 0.12 0.01 58 L C C 26.87 18.01 15.86 34.32 118.87 132.43 -76.74 146.29 95.82 4.16 0.01 93.01 2.74 0.06 0.00 0.01 0.00 4.07 0.10 59 K E E 83.56 10.06 24.60 35.11 117.76 -139.59 -104.22 130.12 1.57 98.43 0.00 1.62 0.04 0.00 0.00 0.00 0.00 98.06 0.28 60 F E E 6.21 24.88 18.40 43.66 129.86 -173.82 -127.00 147.53 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.01 61 G E E 8.54 14.21 25.54 40.58 121.10 -139.00 -100.15 140.53 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 62 V E E 6.55 22.97 20.32 43.55 122.06 -160.80 -117.31 131.70 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 63 H E E 37.50 13.88 20.11 34.85 116.39 -157.88 -107.52 125.16 5.82 94.14 0.03 4.70 0.70 0.13 0.00 0.02 0.00 94.27 0.19 64 N E E 55.26 10.57 17.83 29.72 101.46 -177.74 -108.04 20.63 45.44 53.99 0.57 28.94 10.46 6.16 0.06 0.59 0.00 53.09 0.71 65 G C T 39.02 7.91 15.75 24.29 98.66 -89.47 77.65 -12.16 98.87 0.42 0.71 1.84 35.58 61.42 0.02 0.79 0.00 0.27 0.08 66 R C T 170.31 1.98 16.23 18.49 103.56 35.60 -103.82 -18.81 98.98 0.49 0.54 1.73 40.26 57.04 0.02 0.55 0.00 0.33 0.07 67 E E E 121.20 2.40 18.24 20.91 128.26 42.17 -129.11 149.27 26.72 73.22 0.06 18.88 7.69 0.50 0.01 0.06 0.00 72.21 0.66 68 F E E 84.22 16.66 11.84 27.72 116.78 -129.79 -94.34 132.33 4.90 95.10 0.00 4.47 0.21 0.01 0.00 0.00 0.00 95.16 0.14 69 V E E 50.56 9.73 19.67 30.59 119.71 -169.42 -120.53 125.69 1.37 98.63 0.00 1.22 0.05 0.00 0.00 0.00 0.00 98.72 0.01 70 G E E 33.93 10.60 20.38 31.00 117.30 -124.52 -73.67 145.79 1.10 98.90 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.97 0.01 71 V E E 16.74 20.92 15.93 36.73 127.81 -169.07 -129.15 140.49 0.42 99.58 0.00 0.43 0.00 0.00 0.00 0.00 0.00 99.56 0.01 72 E E E 99.47 6.10 25.34 31.99 115.29 -134.43 -92.67 130.38 0.60 99.40 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.37 0.04 73 V E E 8.44 24.91 11.70 36.94 116.53 -149.88 -99.46 129.20 20.70 79.28 0.02 20.80 0.23 0.01 0.01 0.01 0.00 78.55 0.41 74 Q C C 75.89 4.69 22.94 27.40 131.94 -171.37 -124.06 168.22 93.58 6.32 0.10 92.66 1.38 0.08 0.03 0.05 0.00 5.51 0.28 75 E H G 121.89 7.78 14.84 24.01 91.27 -98.81 -59.56 -33.42 10.05 0.09 89.86 0.58 0.92 7.60 1.55 89.28 0.00 0.07 0.01 76 A H G 83.77 1.96 19.09 21.03 90.06 61.58 -68.74 -18.85 9.56 0.06 90.38 0.35 0.61 7.74 1.34 89.92 0.00 0.04 0.00 77 M H G 24.10 18.73 12.59 31.64 95.12 52.39 -94.19 -6.92 10.31 0.15 89.54 1.26 1.18 6.77 1.66 89.01 0.00 0.10 0.02 78 V C T 52.93 15.46 13.46 29.18 112.39 114.02 -62.87 133.75 92.72 4.01 3.27 4.07 4.77 84.39 1.20 1.54 0.02 1.95 2.06 79 G C T 47.27 4.42 20.41 25.71 94.93 20.91 84.59 -4.46 96.93 0.88 2.19 3.06 6.06 87.97 0.66 1.40 0.00 0.63 0.22 80 H C C 69.87 11.94 16.08 28.62 122.45 121.74 -88.60 154.43 90.49 4.26 5.25 73.93 12.49 3.41 3.17 2.11 0.00 1.87 3.01 81 K C C 96.53 8.22 21.26 29.74 116.71 -112.19 -78.08 145.34 58.28 21.95 19.77 34.73 12.39 10.11 10.45 8.10 0.29 7.68 16.25 82 L C G 37.73 20.45 14.10 33.84 100.12 -104.43 -65.02 -16.70 48.70 4.41 46.90 9.93 10.35 28.60 14.17 31.77 0.49 2.66 2.03 83 G H G 35.53 9.38 18.83 28.49 95.90 45.37 -3.21 -15.54 42.54 2.37 55.09 10.74 8.27 23.98 15.74 38.76 0.14 1.31 1.06 84 E H G 104.83 6.22 18.79 25.79 94.72 75.19 -75.18 -21.27 42.36 3.50 54.13 15.54 9.76 17.75 16.90 36.52 0.11 2.14 1.28 85 F C C 72.73 14.16 13.79 27.89 100.82 50.53 -95.54 -4.02 51.33 9.45 39.22 23.64 12.78 16.68 15.75 21.86 0.32 5.18 3.79 86 S C C 46.19 12.03 13.16 25.53 116.68 80.27 -99.81 137.64 71.20 10.34 18.46 47.32 16.36 7.71 10.54 7.90 0.03 6.65 3.49 87 Q C C 120.29 4.08 15.67 20.92 108.00 -120.75 -81.79 122.49 71.26 14.85 13.89 52.10 10.66 8.26 7.47 6.43 0.02 11.69 3.36 88 T C C 69.42 10.64 9.65 20.74 116.70 -133.64 -97.32 133.28 71.58 18.76 9.66 52.18 11.43 7.72 4.70 4.98 0.02 15.19 3.77 89 T C C 92.13 3.90 11.60 17.24 115.62 -164.92 -104.04 129.51 68.74 25.30 5.97 50.03 12.30 5.69 3.31 3.00 0.02 20.45 5.20 90 F C C 138.07 5.21 8.58 15.56 113.61 -156.23 -95.31 126.90 78.39 19.29 2.32 73.80 1.70 2.58 1.14 0.94 0.00 15.75 4.08 91 R C C 164.68 2.93 11.63 16.37 114.29 -158.85 -97.66 127.97 99.75 0.24 0.01 99.73 0.08 0.03 0.00 0.00 0.00 0.16 0.01