# 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 103.35 7.42 13.49 22.06 117.28 -159.07 -97.41 134.07 99.87 0.08 0.05 99.78 0.08 0.07 0.02 0.01 0.00 0.04 0.01 1 A C C 64.22 6.65 11.78 19.94 115.21 -150.10 -92.62 137.20 86.18 2.42 11.40 78.87 1.51 6.99 7.24 2.94 0.00 1.40 1.03 2 Y C C 116.66 8.76 10.66 20.41 110.34 -153.51 -91.56 111.14 77.03 5.64 17.32 56.13 10.71 9.90 10.87 6.80 0.00 3.70 1.88 3 Q C C 106.04 5.25 13.64 20.24 99.86 109.71 -76.46 -21.36 63.02 8.73 28.25 48.69 7.45 6.87 15.59 12.80 0.01 6.55 2.04 4 L C C 76.27 8.58 14.03 23.70 96.96 78.18 -71.77 -30.95 50.34 7.47 42.19 32.25 8.59 10.09 17.44 24.46 0.02 5.65 1.51 5 Y H G 78.55 13.36 13.47 26.79 98.45 56.78 -81.10 -16.83 46.69 5.54 47.76 25.13 8.85 13.56 17.29 29.77 0.04 3.97 1.39 6 R C G 109.42 9.88 14.44 24.92 97.07 70.01 -77.85 -13.63 53.41 3.62 42.97 25.20 11.15 17.81 15.74 26.57 0.05 2.14 1.34 7 N C C 108.91 3.69 17.01 21.56 99.47 59.08 -93.88 5.50 72.36 2.77 24.87 37.11 18.03 17.77 9.70 14.62 0.01 1.39 1.37 8 T C S 38.37 12.18 11.58 24.83 124.30 102.78 -96.42 159.74 88.80 3.30 7.90 42.53 43.99 2.24 7.31 0.91 0.00 0.80 2.22 9 T H H 95.45 2.90 19.26 22.32 92.84 -115.91 -63.75 -35.02 12.90 0.22 86.87 3.16 4.83 6.04 84.65 1.06 0.07 0.07 0.12 10 L H H 54.83 11.98 18.20 30.39 92.47 52.05 -65.23 -41.21 7.59 0.10 92.31 1.40 1.22 5.11 90.95 1.18 0.06 0.04 0.05 11 G H H 6.09 18.33 15.16 33.92 91.99 51.56 -63.38 -42.45 4.46 0.11 95.44 1.38 0.65 2.53 94.12 1.22 0.02 0.05 0.03 12 N H H 81.08 5.01 21.97 27.28 91.61 50.65 -64.17 -41.03 1.73 0.05 98.22 0.68 0.24 0.83 97.65 0.55 0.01 0.02 0.01 13 S H H 48.24 5.22 22.32 27.51 91.78 50.30 -64.19 -41.22 1.27 0.03 98.70 0.38 0.14 0.70 98.46 0.30 0.01 0.01 0.01 14 L H H 24.41 17.95 18.51 36.39 91.91 49.16 -65.82 -41.25 1.14 0.02 98.84 0.26 0.10 0.69 98.72 0.21 0.01 0.01 0.00 15 Q H H 54.58 15.20 19.50 34.07 91.57 52.20 -63.19 -42.27 0.59 0.00 99.40 0.12 0.05 0.34 99.41 0.08 0.00 0.00 0.00 16 E H H 108.65 2.34 24.49 25.53 91.57 50.36 -64.15 -41.92 0.49 0.00 99.50 0.08 0.03 0.29 99.53 0.06 0.00 0.00 0.00 17 S H H 35.78 8.28 21.44 30.29 91.81 50.07 -64.58 -41.84 0.49 0.00 99.51 0.07 0.03 0.29 99.55 0.06 0.00 0.00 0.00 18 L H H 12.09 20.26 15.95 36.42 91.85 50.22 -64.19 -41.59 0.34 0.00 99.66 0.05 0.02 0.18 99.70 0.04 0.00 0.00 0.00 19 D H H 66.54 6.86 20.66 28.15 91.36 51.59 -62.88 -41.21 0.34 0.00 99.66 0.06 0.02 0.18 99.68 0.05 0.00 0.00 0.00 20 E H H 99.50 2.29 21.08 22.15 91.60 50.37 -64.22 -41.70 0.45 0.00 99.54 0.05 0.03 0.31 99.51 0.08 0.01 0.00 0.00 21 L H H 31.39 11.00 15.20 27.97 91.99 49.95 -65.07 -41.55 0.82 0.01 99.17 0.10 0.07 0.59 99.08 0.15 0.01 0.00 0.00 22 I H H 50.01 11.78 12.90 25.60 92.51 48.93 -65.45 -41.69 2.10 0.03 97.87 0.27 0.18 1.62 97.53 0.34 0.03 0.01 0.01 23 Q H H 136.86 1.35 15.74 16.79 91.52 51.51 -65.34 -33.58 8.25 0.05 91.70 0.41 0.45 7.47 91.20 0.38 0.05 0.02 0.02 24 S C T 70.87 2.57 13.22 16.62 93.39 50.53 -87.68 0.44 87.74 0.05 12.21 0.73 3.16 82.57 12.91 0.57 0.00 0.01 0.05 25 Q C T 145.75 2.18 13.38 17.09 93.05 -118.40 63.77 28.43 99.32 0.02 0.66 1.01 5.85 92.57 0.43 0.12 0.00 0.01 0.02 26 Q C S 108.90 4.23 15.50 20.99 96.41 125.62 -85.37 -17.76 99.61 0.34 0.05 25.58 73.19 0.91 0.02 0.02 0.00 0.12 0.16 27 I C S 20.78 19.14 9.16 27.81 131.01 31.46 -132.50 145.28 97.64 2.33 0.03 23.05 74.63 0.09 0.01 0.01 0.00 0.31 1.91 28 T C C 72.34 2.69 20.80 22.41 117.79 -115.02 -73.97 155.11 99.91 0.08 0.01 99.79 0.15 0.01 0.01 0.00 0.00 0.02 0.03 29 P H H 77.50 9.82 13.23 24.07 91.42 -114.17 -57.89 -37.01 2.37 0.00 97.63 0.36 0.25 1.44 97.37 0.58 0.00 0.00 0.00 30 Q H H 124.85 1.47 19.86 20.10 91.54 55.01 -63.64 -39.99 0.89 0.00 99.10 0.10 0.05 0.60 98.68 0.57 0.00 0.00 0.00 31 L H H 49.77 8.88 17.93 28.15 92.06 49.33 -65.51 -40.67 0.19 0.00 99.81 0.03 0.01 0.11 99.51 0.34 0.00 0.00 0.00 32 A H H 7.36 20.01 14.21 34.75 91.28 51.80 -62.63 -42.85 0.07 0.00 99.93 0.01 0.00 0.04 99.89 0.06 0.00 0.00 0.00 33 L H H 78.12 6.67 20.92 28.18 91.48 50.79 -63.79 -40.50 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 34 Q H H 99.00 2.91 23.07 25.24 91.65 50.10 -64.67 -41.69 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.03 0.00 0.00 0.00 35 V H H 22.34 16.05 19.25 35.64 91.66 49.23 -64.06 -43.09 0.27 0.00 99.73 0.01 0.01 0.20 99.71 0.06 0.00 0.00 0.00 36 L H H 28.07 17.93 18.89 36.46 91.64 50.83 -63.33 -41.38 0.77 0.00 99.23 0.04 0.03 0.59 99.07 0.26 0.00 0.00 0.00 37 L H H 84.95 4.15 22.78 26.86 91.71 50.85 -64.55 -41.01 2.91 0.00 97.09 0.09 0.09 2.59 96.87 0.36 0.00 0.00 0.00 38 Q H H 78.93 6.26 22.22 28.82 91.89 49.42 -65.95 -41.01 1.99 0.00 98.01 0.12 0.10 1.53 98.04 0.20 0.00 0.00 0.00 39 F H H 25.82 19.09 17.93 36.98 91.92 50.71 -63.95 -42.78 0.32 0.00 99.68 0.06 0.02 0.16 99.70 0.06 0.00 0.00 0.00 40 D H H 50.78 12.07 20.43 32.57 91.61 51.29 -63.14 -41.34 0.13 0.00 99.87 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 41 K H H 120.06 2.47 23.56 25.19 91.85 49.62 -64.92 -41.20 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.03 0.00 0.00 0.00 42 A H H 30.16 9.56 20.13 30.78 91.99 49.97 -64.77 -42.33 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 43 I H H 29.20 17.52 18.40 35.76 91.93 48.91 -64.49 -42.50 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 44 N H H 70.08 8.03 20.47 29.01 91.66 50.41 -63.69 -41.00 0.40 0.00 99.60 0.04 0.02 0.25 99.61 0.08 0.00 0.00 0.00 45 A H H 57.31 2.80 21.71 23.72 92.04 49.89 -64.72 -41.18 0.69 0.00 99.31 0.06 0.03 0.47 99.28 0.15 0.00 0.00 0.00 46 A H H 25.73 9.98 17.55 29.13 92.16 50.01 -64.85 -41.34 1.39 0.00 98.61 0.15 0.09 0.97 98.45 0.34 0.00 0.00 0.00 47 L H H 36.58 14.55 14.95 30.00 92.85 50.37 -65.30 -39.22 2.78 0.01 97.21 0.38 0.21 1.97 96.30 1.14 0.00 0.00 0.00 48 A H H 59.91 5.03 16.28 22.49 92.56 54.38 -65.09 -35.45 8.73 0.02 91.25 0.65 0.46 7.48 89.45 1.93 0.01 0.01 0.01 49 Q H H 125.61 1.94 17.23 18.86 94.59 48.20 -75.17 -30.95 23.10 0.06 76.85 1.21 1.48 20.21 74.89 2.11 0.03 0.02 0.04 50 R H H 118.73 7.05 14.51 22.53 100.33 43.65 -87.60 -25.47 38.23 0.49 61.28 6.39 6.48 26.09 57.99 2.49 0.09 0.20 0.28 51 V C C 54.57 12.45 10.24 22.94 107.16 56.96 -96.34 76.80 62.90 5.15 31.95 39.45 10.92 12.08 28.49 4.10 0.05 2.69 2.23 52 R C C 168.21 2.46 14.66 18.11 99.91 71.21 -72.84 -15.83 73.50 3.50 23.00 38.33 11.98 23.19 16.19 6.94 0.03 2.05 1.30 53 N C T 100.42 5.01 13.81 19.93 102.40 42.95 -88.45 21.82 77.69 3.32 18.99 25.30 21.68 32.17 9.18 8.57 0.09 1.83 1.19 54 R C C 133.49 6.63 14.80 22.62 102.97 89.67 -89.47 30.23 78.32 9.65 12.03 41.18 20.00 18.18 4.71 6.79 0.03 7.52 1.60 55 V C C 48.16 15.13 11.52 26.62 119.45 107.35 -109.27 132.87 66.87 28.81 4.32 49.87 12.31 4.55 1.95 2.33 0.01 27.04 1.95 56 N E E 93.58 5.45 18.87 25.53 118.62 -166.01 -111.72 124.38 45.12 52.93 1.95 34.89 8.13 2.28 0.77 1.06 0.00 51.62 1.25 57 F E E 64.92 17.01 12.91 29.50 124.99 -171.66 -118.87 139.07 23.34 76.32 0.34 20.97 2.03 0.35 0.17 0.16 0.00 75.01 1.32 58 R E E 142.50 4.46 19.41 25.54 123.63 -165.49 -118.90 137.92 20.68 79.15 0.17 18.12 1.87 0.30 0.06 0.09 0.00 78.74 0.81 59 G E E 25.76 13.84 13.29 26.98 134.50 140.74 -131.78 170.89 18.44 81.47 0.10 14.00 4.32 0.48 0.02 0.07 0.00 80.69 0.42 60 S E E 68.12 4.40 19.82 25.33 126.98 -137.44 -129.93 145.37 13.83 86.08 0.09 11.82 1.75 0.22 0.02 0.06 0.00 85.53 0.60 61 L E E 63.14 16.03 11.05 26.43 115.50 -127.53 -96.40 128.93 16.07 83.86 0.08 14.98 0.86 0.10 0.02 0.05 0.00 83.53 0.46 62 N E E 99.07 4.40 16.89 22.43 102.13 -164.38 -92.04 -24.45 19.96 80.00 0.04 13.74 5.37 0.29 0.00 0.04 0.00 80.41 0.14 63 T E E 66.78 5.68 17.48 24.47 133.08 6.87 -144.41 146.76 6.67 93.31 0.02 5.41 0.79 0.06 0.00 0.01 0.00 93.62 0.10 64 Y E E 97.34 14.77 11.57 26.18 127.61 -170.60 -131.80 136.77 1.93 98.06 0.01 1.78 0.07 0.01 0.00 0.00 0.00 98.08 0.06 65 R E E 125.47 4.31 17.88 23.57 123.97 -171.40 -126.85 132.73 1.73 98.26 0.00 1.48 0.10 0.01 0.00 0.00 0.00 98.37 0.04 66 F E E 116.77 9.13 11.56 22.00 118.38 -151.12 -104.47 131.00 7.34 92.64 0.02 5.88 0.91 0.10 0.00 0.01 0.00 92.90 0.18 67 C E E 63.20 5.62 12.23 19.77 125.29 173.71 -132.74 145.24 41.58 58.30 0.12 35.96 3.89 0.53 0.02 0.10 0.00 58.56 0.94 68 D C T 122.44 1.50 15.17 16.62 99.58 -45.74 29.95 6.67 99.55 0.26 0.20 1.19 39.15 59.24 0.01 0.19 0.00 0.17 0.04 69 N C T 93.27 8.42 13.89 23.11 95.71 -8.38 33.36 12.87 99.62 0.20 0.18 0.84 39.57 59.26 0.00 0.16 0.00 0.13 0.03 70 V E E 41.71 11.28 15.94 28.77 130.36 84.17 -129.68 144.02 18.45 81.52 0.03 12.06 6.27 0.28 0.00 0.03 0.00 80.92 0.43 71 W E E 33.92 16.35 16.45 33.86 118.09 -137.68 -99.58 135.17 1.56 98.44 0.00 1.49 0.04 0.00 0.00 0.00 0.00 98.45 0.02 72 T E E 23.25 12.03 21.72 35.33 124.21 -169.85 -120.62 137.46 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 73 F E E 16.43 20.52 18.73 39.39 122.79 -165.07 -117.72 133.43 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 74 V E E 31.50 10.74 24.65 36.69 118.25 -160.42 -113.09 126.06 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 75 L E E 8.51 22.23 16.66 39.35 119.86 -166.04 -111.07 131.34 1.24 98.76 0.00 1.17 0.03 0.00 0.00 0.00 0.00 98.78 0.02 76 N E E 61.67 7.63 22.79 30.83 126.41 -166.05 -116.21 147.60 15.71 84.26 0.03 7.62 6.79 0.53 0.00 0.03 0.00 84.94 0.08 77 D E E 86.71 4.32 23.15 27.88 93.11 11.08 59.92 45.45 18.60 81.37 0.03 10.32 6.52 0.62 0.00 0.03 0.00 82.41 0.09 78 V E E 8.33 23.87 12.40 36.36 116.34 169.04 -82.75 136.87 7.60 92.39 0.01 7.37 0.21 0.01 0.00 0.00 0.00 92.31 0.09 79 E E E 64.62 7.45 25.68 33.75 119.67 -162.24 -116.25 127.96 1.38 98.62 0.00 1.28 0.04 0.00 0.00 0.00 0.00 98.62 0.06 80 F E E 15.29 22.24 15.01 37.30 121.95 -166.64 -113.96 134.86 0.93 99.06 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.07 0.03 81 R E E 89.32 7.51 20.14 28.68 126.91 -173.97 -128.25 140.09 5.02 94.96 0.01 4.37 0.36 0.05 0.00 0.01 0.00 95.00 0.21 82 E E E 66.46 11.67 13.05 25.61 119.25 -173.10 -120.60 128.03 46.11 53.78 0.10 39.24 3.22 0.72 0.02 0.09 0.00 56.40 0.32 83 V C C 99.30 4.77 14.08 19.83 101.74 -51.73 39.60 -73.52 98.62 1.13 0.24 62.93 16.74 18.71 0.04 0.22 0.00 1.26 0.09 84 T C C 117.30 1.17 13.09 14.16 99.79 -12.62 -96.43 1.97 97.49 2.26 0.25 57.24 19.26 20.60 0.03 0.26 0.00 2.48 0.12 85 E E E 105.13 4.17 12.51 18.53 122.66 89.16 -110.14 139.18 39.99 59.91 0.10 34.91 2.47 0.38 0.02 0.08 0.00 61.80 0.35 86 L E E 91.70 8.64 12.23 22.42 119.50 -152.17 -108.34 130.96 6.79 93.20 0.01 6.28 0.26 0.03 0.00 0.01 0.00 93.28 0.14 87 I E E 49.04 11.25 14.66 27.66 124.67 -171.24 -122.66 137.68 1.90 98.09 0.00 1.83 0.06 0.01 0.00 0.00 0.00 98.05 0.05 88 K E E 125.30 5.60 19.04 26.23 117.73 -146.03 -101.07 130.76 2.51 97.48 0.01 2.34 0.11 0.01 0.00 0.00 0.00 97.45 0.07 89 V E E 18.41 19.06 12.06 31.05 130.01 -173.84 -127.42 152.32 12.19 87.79 0.02 11.69 0.28 0.03 0.00 0.01 0.00 87.84 0.14 90 D E E 94.77 3.40 21.62 25.07 95.18 -134.27 -73.32 -31.56 25.09 74.89 0.02 9.47 13.85 0.54 0.00 0.02 0.00 76.04 0.08 91 K E E 75.46 8.96 22.15 31.79 136.41 7.04 -148.18 147.07 8.61 91.38 0.01 6.36 1.50 0.10 0.00 0.01 0.00 91.96 0.06 92 V E E 8.83 24.10 15.79 40.24 126.37 -165.86 -127.54 134.95 1.38 98.62 0.00 1.28 0.04 0.00 0.00 0.00 0.00 98.66 0.02 93 K E E 67.20 10.24 26.65 37.44 118.49 -156.96 -110.68 129.39 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 94 I E E 9.20 24.33 18.97 43.55 119.53 -164.16 -113.88 127.57 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 95 V E E 32.89 12.57 26.27 39.40 118.73 -164.79 -112.30 128.15 0.63 99.37 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.37 0.02 96 A E E 12.81 22.02 19.31 40.74 122.18 -165.20 -109.99 136.30 3.50 96.49 0.01 3.11 0.24 0.02 0.00 0.00 0.00 96.52 0.10 97 C E E 31.01 13.50 21.85 35.74 128.70 -170.89 -128.86 143.88 14.03 85.91 0.06 12.28 1.47 0.15 0.02 0.04 0.00 85.17 0.87 98 D E E 60.86 10.72 20.33 31.43 108.48 -126.59 -84.77 113.09 47.35 52.17 0.48 40.44 5.27 1.04 0.13 0.38 0.00 51.06 1.69 99 G C C 24.79 14.62 13.89 28.45 98.40 -161.40 -75.11 -13.87 84.99 6.34 8.67 54.66 14.58 15.41 1.47 7.82 0.00 4.74 1.31 100 K C C 140.75 3.24 16.87 20.81 98.02 71.70 -78.18 -15.58 84.42 3.51 12.06 30.51 27.65 26.94 2.02 9.60 0.01 1.80 1.47 101 N C C 97.40 5.14 13.03 19.51 105.21 61.33 -99.43 66.60 86.61 2.99 10.41 39.64 28.21 19.04 2.03 8.13 0.00 1.38 1.56 102 T C C 81.48 7.15 11.30 19.82 105.40 149.07 -87.64 46.59 89.46 1.89 8.65 37.79 20.61 31.51 2.01 6.20 0.00 0.88 1.01 103 G C C 49.91 3.97 12.99 18.41 106.68 -1.59 85.04 -2.89 90.86 1.50 7.64 34.80 24.37 31.95 1.57 5.80 0.00 0.67 0.84 104 S C C 71.98 4.64 11.55 17.76 108.67 97.36 -87.81 104.59 84.73 2.31 12.96 47.60 21.51 15.63 2.97 9.86 0.00 1.06 1.36 105 N C C 104.80 4.87 10.73 17.22 105.10 104.80 -88.64 57.53 81.52 2.34 16.14 42.97 18.68 20.07 3.54 12.40 0.00 1.14 1.20 106 T C C 86.34 5.32 9.44 16.39 106.59 122.09 -89.47 40.76 80.92 3.34 15.75 44.36 17.41 19.45 3.53 12.08 0.00 1.80 1.36 107 T C C 95.70 3.54 9.24 14.64 108.73 119.94 -89.82 85.76 84.65 4.77 10.58 70.58 4.55 10.34 3.20 6.41 0.00 3.05 1.87 108 E C C 135.59 3.27 11.93 16.91 109.66 -145.02 -87.49 119.95 99.66 0.29 0.05 99.59 0.13 0.06 0.02 0.01 0.00 0.17 0.03