# 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 107.46 7.19 13.99 22.29 115.32 -161.03 -95.60 131.72 99.89 0.10 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.05 0.01 1 A C C 67.51 5.83 12.77 20.11 115.29 -144.68 -90.04 141.77 94.50 3.79 1.71 85.81 1.61 7.33 0.42 0.94 0.00 3.31 0.60 2 N C C 98.41 6.60 14.23 21.96 108.85 -128.57 -87.80 103.18 87.40 10.92 1.68 54.49 18.51 13.58 0.17 1.79 0.00 10.81 0.65 3 Q C C 63.09 12.64 14.42 27.67 122.46 -165.64 -110.62 139.20 60.75 38.12 1.13 47.33 10.01 2.19 0.14 1.04 0.00 38.56 0.72 4 R E E 100.97 10.12 20.23 30.72 124.59 -156.72 -116.02 139.27 20.98 78.84 0.18 18.95 1.75 0.20 0.05 0.11 0.00 78.28 0.66 5 I E E 10.91 22.71 16.21 39.20 122.84 -162.65 -118.26 133.36 5.94 94.04 0.02 5.76 0.19 0.02 0.01 0.01 0.00 93.87 0.15 6 R E E 87.19 9.38 25.05 34.79 117.60 -156.87 -108.91 126.16 2.92 97.08 0.01 2.81 0.09 0.01 0.00 0.00 0.00 97.05 0.04 7 I E E 5.82 25.02 17.05 42.79 120.38 -165.57 -113.47 128.36 2.05 97.94 0.00 2.09 0.04 0.00 0.00 0.00 0.00 97.84 0.03 8 R E E 84.54 9.31 26.77 36.58 117.23 -162.27 -109.58 125.14 1.65 98.35 0.00 1.62 0.04 0.00 0.00 0.00 0.00 98.31 0.03 9 L E E 4.45 25.76 17.36 43.83 123.44 -170.65 -117.08 137.04 2.29 97.70 0.00 2.35 0.03 0.00 0.00 0.00 0.00 97.55 0.06 10 K E E 80.44 9.38 26.76 36.61 126.16 -170.65 -124.60 139.13 4.64 95.35 0.01 4.51 0.16 0.01 0.00 0.01 0.00 95.09 0.21 11 S E E 8.89 21.33 15.26 36.68 139.20 163.71 -148.59 160.69 27.12 72.83 0.05 26.35 0.77 0.08 0.01 0.03 0.00 71.73 1.03 12 F C S 113.77 7.29 21.14 29.20 94.67 -130.34 -78.60 -20.32 99.11 0.87 0.03 4.89 93.86 0.57 0.00 0.01 0.00 0.62 0.05 13 D C C 61.91 8.08 18.62 27.85 111.36 73.01 -105.47 107.94 99.19 0.72 0.09 70.17 28.80 0.35 0.04 0.03 0.00 0.29 0.30 14 H H H 93.25 12.62 14.43 27.55 93.12 -165.37 -63.10 -35.00 2.63 0.01 97.37 0.41 0.40 1.66 96.78 0.75 0.00 0.00 0.00 15 R H H 158.55 1.59 21.26 21.86 91.86 55.65 -64.14 -40.56 1.39 0.00 98.61 0.14 0.12 1.05 97.95 0.74 0.00 0.00 0.00 16 L H H 40.41 11.42 18.56 31.02 92.10 48.50 -65.74 -41.17 0.56 0.00 99.44 0.11 0.05 0.33 98.81 0.70 0.00 0.00 0.00 17 I H H 5.23 24.70 14.55 39.45 91.31 50.98 -63.13 -43.53 0.28 0.00 99.72 0.06 0.02 0.13 99.67 0.12 0.00 0.00 0.00 18 D H H 67.72 8.80 22.97 31.90 91.55 50.44 -63.44 -42.14 0.29 0.00 99.71 0.05 0.01 0.14 99.75 0.05 0.00 0.00 0.00 19 Q H H 96.30 2.82 26.15 27.96 91.71 49.23 -64.62 -41.86 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 20 S H H 8.24 19.10 20.71 39.85 91.93 49.59 -64.68 -42.18 0.50 0.00 99.50 0.05 0.02 0.33 99.55 0.05 0.00 0.00 0.00 21 A H H 6.83 22.70 19.75 42.06 91.38 52.00 -62.85 -42.15 0.34 0.00 99.66 0.04 0.01 0.22 99.71 0.03 0.00 0.00 0.00 22 Q H H 99.87 4.29 26.01 30.53 91.54 51.61 -63.72 -41.80 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 23 E H H 77.11 8.01 25.02 33.39 91.60 49.80 -64.63 -42.16 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 24 I H H 2.72 26.07 20.07 46.20 91.48 49.06 -63.89 -43.53 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 25 V H H 28.10 16.72 21.99 38.26 91.42 49.63 -63.01 -42.92 0.17 0.00 99.83 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 26 D H H 79.46 2.49 26.29 27.39 91.49 50.01 -63.59 -41.97 0.52 0.00 99.48 0.08 0.02 0.28 99.58 0.04 0.00 0.00 0.00 27 T H H 19.48 13.75 20.71 35.30 91.90 49.68 -64.52 -42.30 0.96 0.00 99.03 0.08 0.06 0.65 99.11 0.09 0.00 0.00 0.00 28 A H H 4.62 23.40 14.67 38.18 91.37 51.37 -63.45 -42.18 1.51 0.01 98.48 0.25 0.13 0.93 98.40 0.29 0.00 0.00 0.00 29 K H H 132.49 4.30 19.64 25.21 91.46 50.73 -63.49 -39.83 2.50 0.02 97.48 0.41 0.17 1.80 96.56 1.04 0.00 0.01 0.00 30 R H H 159.61 2.43 19.57 22.10 91.09 53.50 -66.17 -29.82 8.93 0.03 91.04 0.36 0.38 8.25 90.09 0.88 0.02 0.01 0.01 31 T C T 43.36 13.84 14.33 28.63 95.17 46.61 -92.32 -0.55 59.41 0.06 40.53 0.55 1.55 56.55 40.02 1.25 0.01 0.02 0.05 32 G C T 52.15 2.31 21.81 23.53 96.96 -104.95 87.14 11.65 99.82 0.03 0.16 3.79 2.29 93.81 0.05 0.03 0.00 0.02 0.01 33 A C C 12.18 22.40 9.84 31.40 121.10 141.14 -86.39 148.51 97.49 2.49 0.03 95.85 1.61 0.10 0.00 0.01 0.00 2.32 0.10 34 Q E E 114.58 3.17 24.67 27.77 112.65 -131.14 -94.34 126.68 25.89 74.04 0.07 24.99 0.94 0.11 0.02 0.04 0.00 72.87 1.04 35 V E E 31.72 22.69 12.10 33.81 118.69 -158.51 -107.33 128.86 10.02 89.95 0.03 9.99 0.26 0.02 0.02 0.01 0.00 86.55 3.14 36 C E E 66.45 6.77 21.09 28.27 116.27 -171.77 -110.90 129.43 26.73 73.24 0.03 21.94 4.24 0.22 0.00 0.03 0.00 72.75 0.81 37 G C E 29.97 5.90 21.18 27.64 132.67 -48.39 116.13 -175.14 52.31 47.68 0.01 24.57 26.44 0.36 0.00 0.01 0.00 48.37 0.24 38 P C C 61.13 14.94 16.05 30.44 115.00 -64.97 -70.22 144.95 57.57 42.41 0.02 50.50 4.99 0.13 0.00 0.02 0.00 43.83 0.53 39 V E E 32.94 15.32 16.76 32.84 119.59 -159.78 -116.77 126.57 14.98 85.01 0.01 13.45 0.90 0.03 0.00 0.01 0.00 78.63 6.99 40 P E E 80.67 6.11 22.48 29.26 114.34 -117.09 -69.07 142.21 28.62 71.38 0.01 27.86 0.87 0.03 0.00 0.01 0.00 69.01 2.22 41 L C C 30.59 21.76 12.15 33.02 117.02 -121.51 -82.76 139.56 90.09 9.90 0.01 87.75 2.60 0.05 0.00 0.01 0.00 9.14 0.45 42 P C C 50.93 9.19 17.93 28.33 114.38 -104.06 -66.28 148.79 92.35 7.56 0.09 89.87 2.36 0.24 0.01 0.07 0.00 6.88 0.56 43 T C S 88.40 7.35 15.30 24.03 100.64 -146.50 -90.88 -13.14 81.97 17.89 0.14 33.19 48.08 1.01 0.01 0.15 0.00 16.99 0.56 44 R E E 124.17 4.39 17.89 23.40 126.19 55.88 -119.90 142.93 18.84 81.00 0.15 13.67 5.10 0.48 0.02 0.13 0.00 80.22 0.40 45 I E E 79.04 13.70 12.60 26.25 123.62 -161.50 -120.52 133.83 5.02 94.91 0.06 4.59 0.31 0.04 0.01 0.03 0.00 94.89 0.11 46 E E E 79.48 7.82 16.89 26.09 125.68 -172.30 -123.70 140.62 1.21 98.77 0.02 1.10 0.07 0.01 0.00 0.01 0.00 98.77 0.04 47 R E E 130.14 7.92 15.84 25.32 119.39 -144.28 -105.47 132.39 1.04 98.95 0.02 0.93 0.05 0.01 0.00 0.01 0.00 98.97 0.02 48 F E E 46.12 13.43 14.19 28.85 130.18 -175.24 -131.05 149.49 2.30 97.64 0.06 2.15 0.10 0.02 0.01 0.03 0.00 97.61 0.06 49 N E E 77.70 7.68 18.52 27.20 119.21 -134.77 -101.24 134.91 5.83 94.09 0.08 5.56 0.25 0.05 0.02 0.04 0.00 93.81 0.26 50 V E E 28.90 15.57 14.26 30.58 121.28 -163.95 -115.83 133.80 22.62 77.17 0.22 19.58 2.51 0.31 0.07 0.14 0.00 76.38 1.01 51 L C E 71.53 8.21 16.26 25.98 111.77 -126.13 -84.39 126.03 54.04 45.67 0.29 44.31 8.31 0.95 0.08 0.23 0.00 44.45 1.67 52 T C C 62.95 9.33 13.83 24.33 102.80 -169.19 -95.79 -14.98 78.77 20.95 0.29 58.77 18.39 1.57 0.07 0.27 0.00 18.89 2.04 53 S C C 43.37 5.96 13.34 21.11 126.42 18.52 -122.67 149.07 87.53 11.98 0.49 61.04 24.33 2.62 0.15 0.42 0.00 7.39 4.05 54 P C T 100.17 4.03 11.58 17.25 93.72 -112.84 -65.12 -20.53 96.25 0.37 3.38 2.75 17.30 76.31 0.37 2.88 0.00 0.21 0.18 55 H C T 148.26 1.67 11.94 14.16 98.18 55.86 -86.66 -4.63 95.96 0.68 3.36 4.17 16.67 75.16 0.47 2.83 0.00 0.44 0.26 56 V C C 77.27 7.21 8.82 17.39 114.09 73.22 -98.06 126.57 78.61 16.02 5.37 36.92 31.51 10.54 1.51 3.72 0.03 8.07 7.71 57 N C C 88.37 4.85 11.17 17.57 113.13 -135.98 -99.53 122.43 89.51 7.15 3.34 77.67 7.53 3.99 1.33 2.04 0.00 5.39 2.05 58 K C T 148.83 3.21 11.43 16.38 96.28 -154.13 -70.78 -19.37 64.15 3.93 31.92 13.48 12.79 38.74 4.89 26.28 0.06 2.59 1.18 59 D C T 111.38 1.93 14.12 16.38 96.68 61.25 -81.82 -6.49 63.50 4.31 32.19 14.91 11.11 38.46 5.08 26.32 0.04 3.01 1.07 60 A C C 37.85 11.10 10.04 22.17 105.96 87.25 -80.32 63.68 58.78 7.23 33.99 37.18 11.17 11.70 5.25 28.06 0.01 5.36 1.26 61 R C C 116.40 9.19 13.22 23.20 110.46 96.77 -92.61 104.35 65.78 17.77 16.44 44.06 13.16 9.25 4.17 12.16 0.04 14.91 2.25 62 D C C 82.18 6.80 15.32 23.15 113.69 72.00 -98.71 128.73 59.77 31.44 8.79 43.21 11.02 5.85 1.40 6.88 0.00 30.61 1.02 63 Q E E 97.63 7.88 15.31 24.38 121.45 -130.11 -110.06 137.99 31.93 67.20 0.87 25.24 5.63 1.18 0.22 0.54 0.00 66.60 0.58 64 Y E E 65.85 14.61 12.34 27.26 130.65 -173.11 -130.36 151.03 4.53 95.42 0.05 4.08 0.26 0.04 0.01 0.02 0.00 95.47 0.12 65 E E E 101.09 5.79 18.89 25.73 120.26 -139.15 -108.38 135.62 0.96 99.03 0.01 0.85 0.03 0.00 0.00 0.00 0.00 99.09 0.02 66 I E E 50.18 16.59 13.24 29.68 120.20 -158.92 -109.72 132.93 1.04 98.95 0.00 0.97 0.02 0.00 0.00 0.00 0.00 99.00 0.01 67 R E E 96.57 8.60 19.30 28.76 120.93 -159.44 -112.29 133.05 1.13 98.87 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.91 0.01 68 T E E 47.86 13.79 16.66 30.82 121.47 -157.99 -110.61 133.32 2.59 97.40 0.01 2.37 0.12 0.01 0.00 0.00 0.00 97.45 0.04 69 H E E 44.32 13.51 17.52 32.01 126.05 -171.17 -122.31 141.14 4.42 95.56 0.01 3.95 0.35 0.03 0.00 0.01 0.00 95.55 0.10 70 K E E 96.30 10.78 20.02 31.12 123.86 -156.32 -114.45 137.28 7.44 92.55 0.01 6.74 0.39 0.02 0.00 0.00 0.00 92.76 0.08 71 R E E 44.89 17.55 17.53 34.79 127.95 -170.74 -126.25 143.60 5.04 94.96 0.00 4.62 0.23 0.01 0.00 0.00 0.00 95.08 0.06 72 M E E 56.25 10.81 23.14 34.59 118.78 -147.25 -107.28 129.47 1.44 98.56 0.00 1.30 0.04 0.00 0.00 0.00 0.00 98.64 0.02 73 V E E 6.92 23.63 17.33 41.36 121.43 -165.90 -114.95 130.37 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 74 D E E 51.22 9.19 25.97 35.75 116.15 -157.45 -104.76 123.85 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 75 I E E 10.68 22.91 16.37 39.69 115.16 -162.11 -106.67 121.88 2.97 97.02 0.01 2.92 0.06 0.01 0.00 0.00 0.00 96.86 0.15 76 V E E 53.16 9.08 21.02 30.90 121.16 -167.40 -105.84 141.70 35.05 64.93 0.02 15.68 18.62 0.54 0.00 0.02 0.00 64.81 0.33 77 Q C S 120.77 3.71 22.66 26.65 94.98 5.11 57.33 53.59 89.82 10.16 0.01 7.99 80.62 0.71 0.00 0.01 0.00 10.53 0.13 78 P C C 19.23 22.53 9.77 31.33 117.32 -160.01 -71.38 145.34 95.41 4.55 0.04 92.08 3.55 0.19 0.01 0.03 0.00 3.70 0.45 79 T C C 60.82 4.61 20.26 25.01 123.38 -132.98 -86.20 167.53 98.96 0.83 0.22 97.89 1.13 0.12 0.13 0.03 0.00 0.28 0.41 80 D H H 110.43 3.50 15.33 20.54 91.43 -97.08 -60.04 -36.56 2.77 0.00 97.23 0.29 0.52 1.81 96.93 0.45 0.00 0.00 0.00 81 K H H 135.19 1.92 18.97 20.39 91.88 52.42 -65.39 -40.13 1.46 0.00 98.54 0.11 0.13 1.13 98.12 0.51 0.00 0.00 0.00 82 T H H 18.55 17.44 15.50 33.03 92.99 47.40 -66.59 -41.93 0.58 0.00 99.42 0.08 0.04 0.39 99.04 0.44 0.00 0.00 0.00 83 V H H 16.27 19.13 16.00 35.11 91.44 50.79 -62.63 -43.26 0.14 0.00 99.86 0.02 0.01 0.08 99.74 0.15 0.00 0.00 0.00 84 D H H 80.67 3.02 22.87 25.20 91.36 50.50 -63.62 -40.33 0.28 0.00 99.72 0.02 0.01 0.20 99.47 0.30 0.00 0.00 0.00 85 A H H 30.60 8.70 19.49 29.63 91.73 51.54 -64.65 -40.99 0.71 0.00 99.29 0.03 0.02 0.60 98.55 0.80 0.00 0.00 0.00 86 L H H 8.89 23.98 15.19 38.86 92.23 52.00 -65.46 -37.47 2.20 0.01 97.80 0.10 0.09 1.91 96.30 1.59 0.00 0.00 0.00 87 M H H 77.07 13.14 17.99 30.92 91.45 58.18 -69.34 -23.53 25.97 0.15 73.88 1.05 1.09 23.99 71.40 2.25 0.06 0.08 0.07 88 K C T 148.60 1.86 21.11 22.25 95.84 56.02 -87.97 -6.73 64.10 0.52 35.38 3.77 2.90 54.74 35.21 2.85 0.03 0.27 0.23 89 L C C 39.88 18.46 10.73 28.54 117.46 104.00 -81.62 139.99 90.46 5.80 3.73 55.33 31.50 3.96 3.23 0.91 0.01 3.44 1.62 90 D C C 108.83 2.63 21.82 24.68 109.62 -133.60 -93.36 112.82 77.26 20.61 2.13 72.48 2.62 1.91 1.44 0.71 0.00 15.97 4.87 91 L C C 34.68 21.71 11.54 31.89 121.59 -173.01 -109.57 136.30 68.16 30.30 1.54 62.45 3.69 0.84 1.17 0.57 0.00 17.71 13.58 92 A C C 43.89 8.08 18.90 27.89 118.99 -113.03 -72.95 157.66 89.81 8.86 1.33 85.06 3.27 1.59 0.51 0.67 0.00 6.02 2.88 93 A C T 70.35 6.81 16.83 24.84 111.66 -84.76 -62.57 139.04 95.45 2.60 1.95 2.05 7.48 86.44 0.28 1.36 0.00 1.70 0.69 94 G C T 45.60 4.41 19.33 24.72 95.23 23.38 85.47 -4.92 96.98 2.08 0.93 3.19 7.24 86.66 0.08 0.83 0.00 1.80 0.20 95 V C C 20.53 20.75 11.36 31.81 119.82 121.55 -97.71 135.34 70.52 29.24 0.23 62.57 6.25 0.56 0.04 0.20 0.00 29.26 1.11 96 D E E 86.40 4.60 24.19 29.08 113.79 -145.42 -98.40 126.38 24.27 75.64 0.09 23.08 0.83 0.14 0.02 0.05 0.00 75.24 0.64 97 V E E 17.78 24.25 12.35 36.00 126.35 -172.20 -124.40 138.31 10.41 89.57 0.01 10.32 0.16 0.01 0.00 0.00 0.00 89.37 0.13 98 Q E E 91.78 5.19 25.71 31.22 121.38 -164.02 -116.44 133.13 3.53 96.47 0.00 3.52 0.07 0.01 0.00 0.00 0.00 96.35 0.05 99 I E E 27.34 23.01 13.83 36.27 120.77 -161.31 -113.25 128.98 3.40 96.60 0.00 3.57 0.05 0.00 0.00 0.00 0.00 96.31 0.07 100 A E E 49.42 6.46 22.12 29.24 128.54 -175.42 -126.47 146.35 4.22 95.77 0.01 4.32 0.08 0.01 0.00 0.00 0.00 95.38 0.21 101 L E E 74.12 13.98 12.67 26.56 117.80 -137.07 -98.94 132.45 19.67 80.29 0.03 19.40 0.28 0.07 0.01 0.02 0.00 79.62 0.61 102 G C C 45.57 4.67 17.96 23.31 113.18 13.45 83.25 -6.86 99.41 0.59 0.00 99.29 0.14 0.03 0.00 0.00 0.00 0.54 0.01