# 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 98.87 9.23 16.83 26.62 115.50 -153.17 -94.11 130.41 99.67 0.30 0.02 99.66 0.11 0.03 0.01 0.00 0.00 0.15 0.04 1 L C C 52.27 15.72 10.54 25.74 116.57 -135.21 -87.13 139.70 90.38 5.13 4.49 88.06 1.13 1.66 3.91 0.53 0.00 2.29 2.41 2 D C C 82.92 3.89 16.61 21.10 110.45 -118.97 -81.51 127.21 88.25 3.00 8.75 78.95 5.43 3.15 8.58 1.12 0.00 1.42 1.35 3 D H H 71.47 12.46 11.76 24.36 93.90 -142.33 -65.20 -29.10 26.58 0.46 72.96 17.02 4.86 5.72 70.16 1.83 0.01 0.18 0.22 4 T H H 86.44 2.13 16.69 18.70 92.66 61.33 -64.65 -39.07 6.97 0.10 92.93 2.42 1.13 3.63 90.94 1.78 0.01 0.06 0.04 5 K H H 91.35 5.88 17.32 24.25 92.28 50.57 -66.16 -39.96 2.96 0.08 96.96 1.14 0.46 1.54 95.17 1.62 0.01 0.05 0.02 6 Y H H 22.12 20.01 13.15 32.91 92.12 50.73 -64.54 -42.67 1.39 0.06 98.56 0.60 0.22 0.68 97.51 0.95 0.00 0.04 0.01 7 I H H 65.37 8.90 18.09 27.98 91.95 50.42 -63.90 -41.04 1.09 0.05 98.86 0.37 0.14 0.62 98.18 0.65 0.00 0.04 0.01 8 Q H H 101.55 2.05 21.96 22.41 91.91 50.22 -64.65 -41.06 1.97 0.04 97.99 0.40 0.17 1.38 97.12 0.89 0.00 0.03 0.01 9 M H H 33.83 13.47 17.04 31.45 92.12 50.09 -65.78 -39.32 3.92 0.04 96.05 0.53 0.27 2.99 94.31 1.85 0.01 0.02 0.01 10 A H H 15.46 19.82 13.64 33.11 91.78 55.69 -65.75 -31.18 11.21 0.07 88.72 1.11 0.69 8.94 83.66 5.51 0.02 0.04 0.03 11 Q H H 123.76 3.23 19.37 23.29 92.06 59.75 -69.31 -22.96 45.94 0.12 53.94 1.61 1.94 41.46 49.56 5.27 0.03 0.05 0.08 12 K C T 134.72 3.21 19.35 22.91 96.86 48.33 -94.89 -2.77 64.18 0.23 35.59 4.62 4.59 53.07 32.13 5.31 0.02 0.10 0.16 13 F C S 27.89 22.12 9.05 29.78 117.82 101.51 -80.30 140.22 98.88 0.85 0.27 34.37 64.30 0.39 0.19 0.06 0.00 0.26 0.42 14 P C C 50.85 8.15 16.68 26.42 113.02 -105.11 -65.21 147.27 97.29 1.52 1.18 94.74 1.54 1.40 0.27 0.69 0.00 0.89 0.47 15 R C T 161.81 5.19 14.96 21.98 97.26 -125.08 -69.15 -25.51 89.61 4.69 5.70 5.63 24.17 60.16 0.61 4.98 0.01 3.58 0.86 16 N C T 113.89 2.80 18.05 21.21 99.15 46.68 -88.08 25.56 75.05 19.19 5.76 10.15 12.65 53.28 0.71 5.12 0.01 17.20 0.88 17 V E E 24.50 19.70 10.60 29.75 116.85 135.19 -86.28 134.57 47.59 49.97 2.44 38.03 8.52 1.44 0.62 1.73 0.00 48.36 1.31 18 S E E 65.05 5.23 22.78 28.59 119.96 -157.19 -112.14 131.52 19.82 79.34 0.83 17.85 1.52 0.45 0.33 0.40 0.00 78.51 0.93 19 V E E 20.74 22.69 13.48 35.55 126.88 -173.56 -126.44 137.73 10.89 88.21 0.90 9.87 0.94 0.34 0.45 0.37 0.00 87.29 0.74 20 Q E E 102.80 5.17 23.83 29.59 118.83 -155.73 -109.38 128.78 13.73 85.43 0.84 12.14 1.37 0.44 0.46 0.36 0.00 84.30 0.92 21 L E E 27.98 21.91 11.94 33.00 117.66 -145.86 -92.83 136.96 39.34 59.71 0.95 33.83 4.46 0.75 0.48 0.49 0.00 58.13 1.85 22 N C C 59.62 8.19 17.18 26.65 112.89 -112.15 -72.91 142.67 89.53 9.76 0.71 85.13 3.87 0.38 0.51 0.17 0.00 9.26 0.68 23 K H H 132.88 4.95 15.47 21.89 92.28 -123.80 -60.20 -33.52 23.86 2.12 74.02 5.85 3.85 13.83 58.61 15.39 0.22 1.78 0.46 24 K H H 121.92 3.55 17.28 21.59 92.32 56.74 -65.87 -37.26 20.11 3.01 76.88 3.87 2.81 12.90 60.72 16.13 0.36 2.71 0.50 25 L H H 30.41 16.38 14.09 30.40 93.89 48.79 -71.83 -35.95 15.76 4.58 79.66 4.59 2.77 8.47 61.35 17.78 0.24 4.22 0.58 26 F H H 62.51 13.56 15.95 29.69 93.86 56.39 -64.31 -40.88 18.63 7.85 73.52 9.59 4.08 6.88 64.76 6.47 0.25 6.81 1.15 27 V H H 77.97 4.42 20.19 24.63 93.06 50.99 -67.04 -39.59 26.11 8.00 65.90 11.95 5.13 10.30 59.46 4.63 0.24 7.16 1.15 28 T H H 44.53 10.17 18.31 29.28 93.86 50.84 -68.76 -38.57 28.53 6.55 64.91 14.26 5.96 9.69 59.54 3.88 0.15 5.45 1.07 29 R H H 61.07 15.87 17.04 32.25 94.35 52.44 -68.24 -37.34 28.59 6.30 65.11 15.31 5.77 8.93 60.06 3.56 0.13 5.21 1.03 30 T H H 55.10 8.04 19.14 27.86 93.58 53.85 -66.67 -39.75 25.52 6.67 67.80 12.27 5.25 9.54 61.81 4.08 0.19 5.90 0.96 31 W H H 108.17 7.23 19.18 27.14 93.00 52.09 -66.05 -39.90 23.84 8.02 68.14 11.50 4.69 9.40 60.52 5.21 0.26 7.39 1.05 32 F H H 44.64 15.54 16.27 31.82 93.65 50.85 -68.27 -38.50 20.53 10.46 69.00 10.62 4.02 7.55 60.59 5.93 0.24 9.81 1.22 33 R H H 96.98 11.35 17.68 29.11 93.88 53.99 -68.66 -33.22 23.15 7.92 68.93 9.68 4.41 10.49 60.40 6.26 0.39 7.22 1.15 34 N H H 83.55 6.30 18.24 25.03 96.73 52.37 -78.58 -17.35 31.97 6.72 61.32 10.59 5.87 16.58 53.63 6.00 0.42 5.84 1.08 35 Y H H 91.42 10.85 16.05 27.38 103.88 57.42 -88.41 -8.30 33.11 16.23 50.66 14.27 6.55 13.42 44.00 5.54 0.39 13.87 1.95 36 Y H H 97.80 11.56 16.79 28.35 103.63 84.24 -81.65 -0.81 29.70 24.83 45.47 12.54 6.06 11.96 39.97 5.49 0.47 21.27 2.24 37 F H H 88.59 11.30 16.91 28.36 106.49 76.39 -85.20 39.45 26.95 27.96 45.09 12.06 5.27 10.37 39.95 5.50 0.45 24.14 2.25 38 V H H 64.90 11.61 16.55 28.38 106.20 124.86 -86.06 37.78 27.58 24.54 47.88 11.08 5.78 11.93 41.70 5.85 0.63 20.62 2.42 39 G H H 33.17 10.20 18.44 28.60 105.66 48.74 -51.19 -34.24 39.11 15.34 45.55 13.85 8.02 18.34 38.83 5.62 0.57 12.85 1.93 40 V H H 52.71 13.64 17.42 30.88 100.70 55.35 -81.68 -26.17 41.73 14.07 44.20 16.44 9.97 17.10 37.78 4.77 0.75 10.56 2.62 41 F H H 70.20 14.68 18.12 32.00 100.21 55.23 -75.57 -27.28 39.21 7.77 53.03 21.10 8.81 11.25 48.37 3.12 0.27 5.10 1.97 42 G H H 26.40 10.52 19.20 29.99 98.26 57.54 -62.13 -47.26 20.93 1.57 77.50 10.96 4.35 7.00 73.98 2.18 0.06 1.15 0.33 43 I H H 65.41 10.04 20.87 31.14 93.72 45.33 -67.04 -39.21 6.22 1.34 92.44 3.04 1.17 2.91 89.85 1.57 0.05 1.24 0.16 44 F H H 30.78 19.00 19.63 37.73 93.07 51.54 -65.98 -41.59 1.78 1.05 97.18 0.76 0.30 0.92 95.78 1.07 0.02 1.09 0.05 45 A H H 17.22 16.81 18.99 35.84 92.22 52.27 -63.63 -41.79 0.82 0.54 98.64 0.30 0.13 0.45 97.86 0.67 0.01 0.57 0.02 46 Y H H 95.90 7.02 22.35 29.70 92.08 50.82 -64.73 -41.55 0.78 0.36 98.86 0.21 0.09 0.49 98.23 0.58 0.01 0.38 0.01 47 F H H 43.59 13.12 19.63 33.36 92.40 49.74 -65.71 -41.80 1.10 0.23 98.67 0.21 0.09 0.81 97.99 0.64 0.01 0.23 0.02 48 I H H 16.99 20.96 16.81 37.21 92.72 49.31 -67.19 -39.42 3.14 0.09 96.77 0.34 0.21 2.68 95.80 0.87 0.02 0.06 0.02 49 Y H H 101.20 11.06 18.45 29.62 93.85 48.61 -73.84 -30.28 15.16 0.06 84.78 0.56 0.68 13.96 83.84 0.87 0.03 0.03 0.03 50 N H H 93.30 4.84 19.30 24.65 99.07 43.49 -93.62 -11.55 38.03 0.21 61.76 2.24 3.35 31.25 61.93 0.98 0.06 0.07 0.12 51 Q C S 55.30 14.97 13.43 28.32 115.59 78.44 -99.45 124.87 95.57 1.79 2.64 35.29 56.33 3.91 2.30 0.51 0.00 0.69 0.96 52 P C C 64.11 9.93 17.57 28.06 106.78 -132.40 -69.93 136.06 91.11 2.94 5.94 51.42 17.33 22.75 1.86 3.87 0.00 2.04 0.73 53 K C C 98.37 11.35 18.41 29.49 110.65 -131.33 -87.92 111.15 70.15 21.23 8.62 35.28 17.18 19.14 2.56 5.38 0.03 18.20 2.23 54 I C E 41.43 17.96 16.03 33.30 112.57 -158.51 -97.16 118.62 50.37 41.89 7.74 32.84 11.85 7.23 3.49 4.26 0.06 36.45 3.81 55 F E E 85.36 11.87 20.19 31.99 111.45 131.64 -102.34 93.18 45.94 47.71 6.35 30.76 10.71 5.38 3.47 3.42 0.11 40.35 5.80 56 A C C 28.19 16.48 16.79 33.06 120.61 -157.14 -106.46 137.48 67.21 28.29 4.50 45.54 17.99 4.14 1.91 2.50 0.02 25.33 2.57 57 P C C 58.28 10.24 19.29 29.96 111.25 -108.20 -71.22 144.76 73.69 18.28 8.03 46.79 13.97 13.19 2.13 5.63 0.01 16.61 1.67 58 F C C 75.80 15.09 14.06 28.76 113.92 -139.06 -90.22 129.40 65.45 22.78 11.77 37.44 13.07 16.63 3.06 8.47 0.06 16.67 4.59 59 S C C 65.89 7.14 16.44 24.49 107.30 -157.26 -93.05 79.97 72.76 19.57 7.67 30.04 17.80 27.39 1.71 5.51 0.04 14.21 3.31 60 G C S 40.89 7.40 15.28 23.57 112.19 -54.22 90.85 -0.60 80.58 16.38 3.04 25.06 32.36 24.65 0.46 2.58 0.01 12.67 2.21 61 Y C C 122.99 6.67 15.28 23.33 120.03 14.13 -102.48 136.57 85.10 14.39 0.50 43.38 41.55 1.30 0.24 0.29 0.00 11.30 1.92 62 P C C 71.50 9.82 15.37 25.83 112.82 -104.87 -67.22 143.50 84.45 14.24 1.31 71.67 9.52 2.20 0.71 0.70 0.00 14.03 1.17 63 T C E 53.98 12.55 14.53 27.55 120.66 -165.96 -111.34 139.57 52.12 45.40 2.49 37.17 12.83 2.87 1.50 1.33 0.01 42.32 1.98 64 T E E 76.17 7.36 19.34 27.51 119.20 -137.03 -106.65 132.65 23.72 73.98 2.30 17.96 5.00 1.63 1.44 1.05 0.00 72.00 0.91 65 V E E 27.36 18.09 14.41 32.57 125.63 -168.78 -121.92 139.23 10.53 87.43 2.04 8.47 1.72 0.77 1.33 0.77 0.00 86.50 0.44 66 A E E 43.23 8.65 22.55 31.81 121.00 -148.75 -107.29 136.76 7.16 91.35 1.49 5.48 1.25 0.68 0.89 0.60 0.00 90.87 0.24 67 Y E E 32.45 21.09 15.45 36.13 129.50 -172.19 -124.25 144.80 6.69 91.94 1.37 4.94 1.09 0.71 0.78 0.57 0.00 91.68 0.23 68 K E E 87.28 8.64 24.05 33.13 126.26 -162.72 -123.81 139.31 8.06 90.86 1.08 5.91 1.31 0.87 0.54 0.51 0.00 90.53 0.34 69 A E E 18.08 20.39 15.39 35.41 120.58 -146.16 -103.09 136.01 18.69 80.35 0.96 14.65 3.36 1.07 0.46 0.51 0.00 79.09 0.86 70 Q E E 72.99 8.39 21.08 30.20 121.20 -163.23 -115.32 132.71 45.50 53.94 0.56 38.02 5.55 0.82 0.20 0.36 0.00 54.07 0.98 71 P C C 48.91 12.20 14.26 27.30 113.28 -112.54 -68.81 145.16 55.56 38.07 6.37 40.56 8.59 6.44 1.94 4.06 0.01 36.83 1.56 72 D C C 69.29 8.29 13.49 22.99 110.80 -141.82 -92.38 118.51 63.62 26.11 10.27 35.18 15.56 14.79 3.05 6.79 0.07 21.93 2.63 73 F C T 135.91 4.95 11.69 17.70 99.84 -123.46 -77.95 -16.48 65.32 21.97 12.71 18.60 21.03 28.50 2.86 8.73 0.17 16.79 3.31 74 L C T 117.53 3.04 10.83 15.06 102.21 48.50 -90.77 3.01 74.16 13.04 12.80 18.89 21.43 35.52 3.13 8.72 0.09 9.54 2.68 75 N C T 101.20 4.02 11.59 16.89 107.30 32.10 -98.85 73.73 86.07 4.78 9.15 20.02 25.52 41.21 2.55 6.15 0.01 3.41 1.13 76 D C T 99.41 5.66 13.47 20.27 101.56 -119.08 -79.77 34.46 79.37 13.48 7.16 21.72 25.76 32.75 3.04 3.82 0.02 11.70 1.19 77 Q E E 81.75 8.53 14.73 24.43 118.00 127.30 -98.58 136.29 38.98 56.64 4.38 26.98 9.19 4.28 2.78 1.83 0.01 53.15 1.77 78 V E E 45.51 13.68 15.09 29.45 117.84 -150.04 -102.58 131.57 18.09 79.12 2.79 14.71 2.23 0.92 2.27 0.74 0.00 78.23 0.90 79 I E E 52.97 12.25 17.97 31.08 116.37 -154.35 -102.75 126.48 10.39 86.25 3.36 7.90 1.36 0.82 2.65 0.77 0.00 86.09 0.43 80 F E E 67.00 14.06 17.53 31.67 115.72 -158.20 -103.72 131.59 9.51 86.45 4.04 6.60 1.66 1.15 2.90 0.99 0.00 86.34 0.36 81 Y E E 71.71 12.86 17.64 31.03 125.46 -168.55 -122.66 139.33 14.48 80.50 5.02 10.08 2.82 1.74 3.26 1.46 0.01 80.14 0.49 82 S E E 44.00 12.87 16.26 29.39 124.34 -162.91 -116.57 139.56 23.31 71.88 4.81 16.65 4.54 2.41 2.92 1.59 0.01 71.20 0.68 83 Q E E 74.68 10.63 16.42 27.84 123.67 -167.54 -118.13 141.09 33.83 60.93 5.24 24.05 7.36 3.26 3.27 1.88 0.02 58.85 1.32 84 Q E E 99.07 8.64 15.26 24.99 119.37 -147.74 -104.41 132.68 45.70 48.87 5.43 33.39 9.29 3.12 3.93 1.86 0.02 46.02 2.36 85 R C C 104.76 9.63 13.28 24.03 120.81 -160.59 -108.26 137.14 61.54 32.68 5.78 48.42 8.97 2.95 4.18 1.95 0.01 31.03 2.49 86 Q C C 112.64 4.90 14.71 21.07 112.42 -117.81 -74.94 139.16 69.28 20.33 10.39 53.34 8.51 6.61 6.21 4.22 0.01 19.03 2.07 87 N C C 81.29 9.75 11.05 21.58 110.91 -135.23 -90.18 119.69 77.19 10.29 12.52 51.97 14.08 11.38 6.39 6.03 0.01 8.19 1.94 88 T C C 80.47 5.20 12.67 19.37 110.91 -161.76 -95.56 109.75 70.84 13.81 15.35 45.28 13.76 12.26 7.46 7.82 0.04 10.23 3.14 89 L C C 91.35 7.52 8.97 17.81 111.73 -145.91 -89.98 121.18 70.08 13.70 16.23 39.89 16.97 14.38 6.67 9.18 0.07 9.67 3.17 90 K C C 142.07 2.92 10.69 15.23 111.93 -164.01 -95.14 121.72 75.72 11.71 12.57 37.65 20.17 19.24 4.08 7.89 0.04 8.46 2.46 91 N C C 118.23 2.64 10.32 14.53 105.35 -12.19 -86.39 77.71 88.21 5.40 6.39 69.56 4.27 14.69 1.85 4.02 0.00 4.16 1.45 92 F C C 113.79 8.12 9.71 18.87 108.09 166.01 -92.50 87.12 99.82 0.16 0.02 99.74 0.10 0.05 0.01 0.00 0.00 0.09 0.01