# 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 47.27 14.99 18.28 33.30 127.06 -170.17 -118.95 140.71 99.44 0.56 0.00 99.42 0.13 0.02 0.00 0.00 0.00 0.42 0.01 1 Y E E 80.60 11.01 20.88 32.31 121.07 -146.23 -109.63 134.22 12.17 87.83 0.00 12.04 0.15 0.01 0.00 0.00 0.00 87.60 0.20 2 V E E 6.84 23.04 16.56 40.14 123.32 -163.64 -117.46 137.15 0.78 99.22 0.00 0.74 0.01 0.00 0.00 0.00 0.00 99.24 0.01 3 K E E 61.79 10.09 25.89 36.64 116.70 -149.15 -105.09 126.54 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 4 L E E 3.60 25.27 17.80 43.92 120.52 -165.94 -112.52 133.27 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 5 I E E 37.60 10.01 24.56 35.89 116.86 -153.44 -108.55 125.71 0.46 99.54 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.49 0.05 6 S C C 7.69 19.15 14.44 34.35 124.82 -145.53 -86.20 169.60 77.57 22.41 0.02 78.08 0.30 0.03 0.00 0.01 0.00 21.01 0.57 7 S C T 63.98 9.13 15.71 26.00 89.92 -97.50 -63.57 -22.06 99.33 0.15 0.52 0.28 3.71 95.40 0.01 0.49 0.00 0.09 0.02 8 D C T 93.19 3.84 15.79 20.71 92.53 58.78 -87.69 2.07 99.41 0.05 0.54 0.19 3.45 95.80 0.01 0.51 0.00 0.02 0.01 9 G C S 45.56 4.22 15.83 21.26 97.03 -101.66 89.63 5.79 99.39 0.29 0.32 14.33 84.06 1.14 0.03 0.20 0.00 0.12 0.12 10 H C C 72.39 9.19 15.04 25.89 117.85 138.12 -78.15 141.34 97.00 2.98 0.02 96.58 0.98 0.05 0.01 0.01 0.00 1.86 0.52 11 E E E 93.15 11.02 17.97 29.68 122.51 -152.51 -112.97 135.58 0.85 99.15 0.00 0.84 0.02 0.00 0.00 0.00 0.00 98.93 0.20 12 F E E 25.21 18.97 17.86 36.97 129.40 -174.73 -129.45 143.92 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 13 I E E 65.14 10.57 24.73 35.55 116.40 -142.51 -101.29 126.06 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 14 V E E 4.97 24.79 15.23 40.74 123.25 -170.28 -119.29 135.48 0.57 99.43 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 15 K E E 88.84 6.49 24.54 31.19 112.71 -118.77 -74.48 138.15 9.62 90.36 0.01 9.85 0.14 0.01 0.01 0.00 0.00 89.72 0.27 16 R H H 86.38 16.97 14.64 30.94 91.79 -123.69 -57.80 -38.98 4.92 0.04 95.04 0.56 0.48 3.57 75.52 19.82 0.01 0.03 0.01 17 E H H 125.34 2.47 22.51 24.70 91.29 57.39 -63.56 -35.88 2.54 0.01 97.45 0.19 0.18 1.98 78.74 18.88 0.00 0.01 0.00 18 H H H 49.04 13.14 19.28 32.69 92.56 49.60 -68.61 -37.99 1.66 0.01 98.32 0.15 0.14 1.22 80.48 18.00 0.00 0.01 0.00 19 A H H 3.49 24.98 13.79 38.86 91.82 54.48 -66.33 -35.68 7.05 0.06 92.89 0.91 0.74 4.92 78.74 14.62 0.02 0.04 0.02 20 L C T 80.08 9.96 19.22 29.57 92.68 57.82 -76.22 -17.70 52.96 0.29 46.75 3.68 2.92 45.30 39.29 8.46 0.04 0.13 0.18 21 T C T 82.93 5.16 19.92 25.52 94.48 64.52 -84.24 -13.76 72.02 0.41 27.56 7.41 9.76 54.00 21.73 6.61 0.02 0.17 0.29 22 S C C 26.32 16.67 11.76 28.24 114.90 83.60 -91.87 131.06 96.18 1.38 2.44 57.79 36.87 1.33 2.11 0.38 0.00 0.28 1.25 23 G H H 49.09 3.04 19.22 22.88 94.26 -145.43 -63.31 -38.33 10.25 0.06 89.69 1.68 4.18 4.29 89.20 0.58 0.01 0.02 0.03 24 T H H 62.82 8.70 19.47 28.54 92.69 53.13 -66.33 -40.90 2.77 0.02 97.21 0.40 0.41 1.80 96.93 0.44 0.01 0.01 0.01 25 I H H 8.48 23.31 15.25 38.37 91.97 47.72 -65.29 -42.46 0.87 0.01 99.11 0.22 0.10 0.48 98.81 0.39 0.00 0.01 0.00 26 K H H 89.17 11.65 19.22 30.80 91.28 52.54 -61.49 -42.18 0.39 0.00 99.60 0.09 0.04 0.21 99.36 0.31 0.00 0.00 0.00 27 A H H 57.54 3.66 22.32 25.75 91.57 51.10 -64.48 -40.30 0.65 0.01 99.34 0.08 0.05 0.44 98.94 0.49 0.00 0.00 0.00 28 M H H 51.08 14.58 19.02 33.37 92.41 50.05 -67.31 -37.70 1.88 0.01 98.11 0.13 0.12 1.57 97.26 0.91 0.00 0.00 0.00 29 L H H 26.49 20.68 16.32 36.12 93.27 50.09 -73.79 -25.16 9.38 0.04 90.59 0.45 0.60 8.46 89.57 0.86 0.02 0.01 0.02 30 S H H 64.99 6.33 19.55 26.14 98.41 53.63 -88.38 -7.96 41.40 0.55 58.05 5.23 7.62 28.85 56.10 1.54 0.10 0.17 0.38 31 G C C 26.10 9.15 14.28 24.52 128.41 122.26 -81.48 175.86 95.70 1.38 2.92 55.60 35.34 4.71 1.06 1.71 0.00 0.50 1.07 32 P C T 102.10 3.44 14.94 19.42 106.79 -52.47 -66.12 133.07 79.65 1.03 19.31 13.64 14.84 50.94 2.89 16.51 0.00 0.54 0.64 33 G C T 49.21 5.12 14.18 20.58 102.10 18.61 83.61 -2.01 79.62 1.23 19.15 13.59 13.87 51.66 3.19 16.34 0.00 0.69 0.64 34 Q C C 104.64 6.43 15.05 22.62 105.25 108.63 -85.12 26.27 77.56 3.90 18.54 45.35 17.78 13.72 3.77 15.44 0.01 1.91 2.01 35 F C C 81.81 13.30 10.95 24.18 115.66 76.61 -100.31 131.82 79.14 10.20 10.66 53.11 15.69 9.43 4.34 6.41 0.02 4.68 6.31 36 A C C 53.20 6.46 13.46 21.40 116.19 -136.92 -90.93 148.38 85.42 6.28 8.30 66.22 11.12 7.48 3.39 5.01 0.00 3.40 3.39 37 E C T 139.80 3.33 12.53 17.47 100.42 -106.79 -68.78 -18.27 87.53 2.22 10.25 16.22 19.50 52.19 2.86 6.88 0.01 1.26 1.06 38 N C T 119.96 2.55 13.64 16.84 100.22 33.31 -76.41 17.05 90.03 1.31 8.66 18.56 19.24 52.52 1.91 6.45 0.00 0.73 0.60 39 E C C 94.13 9.22 10.79 20.99 109.96 124.21 -89.43 108.04 87.13 3.96 8.90 60.38 17.24 8.99 2.47 6.76 0.00 2.03 2.14 40 T C C 84.76 5.66 15.09 22.02 108.98 -154.16 -93.27 78.21 87.62 4.53 7.85 48.36 22.14 17.52 2.03 5.70 0.00 2.84 1.39 41 N C C 72.84 11.67 15.82 27.48 99.75 46.72 -94.74 18.10 82.91 11.19 5.90 40.14 26.67 16.82 1.37 4.52 0.00 9.24 1.24 42 E C E 73.63 12.27 18.66 31.25 122.82 109.28 -106.75 139.92 51.94 46.17 1.88 42.30 7.75 1.46 1.02 1.13 0.00 42.96 3.38 43 V E E 16.96 20.41 16.35 37.03 120.65 -158.47 -112.89 129.74 24.87 74.23 0.90 22.61 1.63 0.26 0.60 0.41 0.00 70.91 3.59 44 N E E 69.42 8.03 24.12 32.61 110.88 -139.53 -91.29 120.10 21.72 77.25 1.03 20.38 0.82 0.26 0.70 0.46 0.00 72.49 4.89 45 F C C 15.14 23.64 12.86 36.58 99.69 -171.27 -95.72 5.20 61.91 10.11 27.98 51.41 4.42 5.21 2.14 27.03 0.00 8.90 0.90 46 R C T 136.84 6.63 18.55 26.62 93.00 105.39 -63.86 -25.92 67.36 3.20 29.44 7.63 11.48 46.27 0.87 30.84 0.01 2.35 0.56 47 E C T 129.25 3.43 20.39 24.18 94.19 53.32 -86.84 -4.03 66.85 1.96 31.18 6.29 11.17 46.89 0.84 33.07 0.00 1.36 0.38 48 I C S 13.08 23.68 9.54 32.47 117.47 97.71 -90.50 133.35 98.41 1.33 0.26 23.40 75.03 0.31 0.11 0.08 0.00 0.47 0.60 49 P C C 58.58 4.95 21.71 27.24 114.68 -107.29 -64.82 145.66 98.48 1.29 0.23 98.36 0.35 0.06 0.16 0.02 0.00 0.36 0.69 50 S H H 49.33 13.56 14.89 28.87 91.52 -116.45 -58.36 -37.31 2.59 0.00 97.41 0.31 0.35 1.78 96.96 0.60 0.00 0.00 0.00 51 H H H 113.53 4.47 22.15 27.16 91.47 56.31 -64.76 -37.74 1.07 0.00 98.93 0.06 0.06 0.91 98.41 0.56 0.00 0.00 0.00 52 V H H 18.32 17.15 20.26 37.42 92.56 50.09 -65.54 -42.66 0.28 0.00 99.72 0.02 0.01 0.20 99.39 0.37 0.00 0.00 0.00 53 L H H 7.16 24.35 19.34 43.67 91.30 50.91 -62.71 -42.76 0.07 0.00 99.93 0.00 0.00 0.04 99.90 0.05 0.00 0.00 0.00 54 S H H 39.24 10.73 24.25 35.08 91.43 51.94 -62.93 -41.01 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 55 K H H 66.59 11.13 25.47 36.77 91.82 50.34 -65.10 -41.35 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 56 V H H 2.39 25.62 22.42 47.85 91.58 49.47 -64.06 -43.62 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 57 C H H 10.28 20.67 23.26 43.31 91.08 51.22 -62.84 -42.63 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 58 M H H 73.32 8.41 26.45 35.48 91.55 51.02 -63.55 -42.03 0.10 0.00 99.90 0.00 0.00 0.08 99.89 0.03 0.00 0.00 0.00 59 Y H H 25.31 17.14 22.84 39.91 91.46 50.60 -63.47 -43.26 0.13 0.00 99.87 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 60 F H H 11.94 21.77 20.94 42.34 91.58 49.63 -64.30 -41.85 0.30 0.00 99.70 0.02 0.01 0.23 99.58 0.16 0.00 0.00 0.00 61 T H H 39.46 12.07 21.86 34.11 92.01 51.25 -64.71 -41.32 1.35 0.00 98.64 0.09 0.07 1.13 98.11 0.60 0.00 0.00 0.00 62 Y H H 73.09 9.92 20.25 30.93 92.37 50.74 -65.68 -39.51 5.37 0.01 94.62 0.37 0.35 4.56 93.25 1.45 0.01 0.00 0.00 63 K H H 64.30 13.85 17.87 31.52 92.58 53.13 -66.93 -36.69 12.73 0.06 87.21 1.50 1.18 9.91 83.65 3.66 0.03 0.03 0.04 64 V H H 47.67 13.03 16.39 29.69 93.58 51.78 -69.75 -32.86 28.57 0.42 71.01 4.74 4.18 20.12 64.55 5.84 0.13 0.18 0.25 65 R H H 134.38 4.85 18.15 23.60 97.05 52.78 -82.57 -12.27 45.05 1.46 53.49 13.23 7.15 25.92 46.34 5.81 0.12 0.61 0.81 66 Y C C 86.55 11.64 11.37 23.66 103.53 79.44 -86.31 47.71 77.09 2.64 20.27 55.58 8.89 11.21 18.12 3.42 0.00 1.11 1.66 67 T C C 84.67 5.69 13.11 20.13 103.59 116.19 -88.91 -5.48 84.58 2.01 13.41 46.00 12.38 26.61 9.21 3.71 0.00 0.96 1.13 68 N C C 120.93 2.51 13.21 16.78 100.66 46.13 -89.98 21.50 88.96 1.41 9.64 35.37 21.48 33.00 4.61 4.11 0.00 0.62 0.81 69 S C C 51.04 8.46 9.26 19.01 118.87 114.32 -97.94 144.67 92.58 1.32 6.10 59.24 19.33 13.98 2.35 3.59 0.00 0.57 0.95 70 S C C 88.92 2.64 12.13 15.90 98.64 -148.58 -83.12 -4.78 94.29 0.81 4.90 44.87 30.88 18.59 1.19 3.64 0.00 0.36 0.49 71 T C S 88.50 4.16 11.96 17.71 107.93 78.05 -90.87 51.46 94.92 1.28 3.79 34.37 47.71 12.92 0.78 2.96 0.00 0.62 0.63 72 E C C 131.45 3.32 15.80 20.13 114.87 -95.22 -96.38 134.24 93.76 3.41 2.84 66.16 21.89 5.22 0.65 2.47 0.00 1.64 1.96 73 I C C 49.90 17.70 10.10 26.97 114.85 -128.71 -90.37 128.51 98.14 1.60 0.26 91.57 6.39 0.31 0.10 0.12 0.00 0.80 0.72 74 P C C 50.46 8.92 15.88 26.44 115.33 -115.41 -67.87 151.48 99.09 0.58 0.34 96.84 1.69 0.72 0.08 0.18 0.00 0.31 0.18 75 E C C 136.14 3.94 18.02 23.71 114.46 -111.46 -82.63 134.22 97.19 2.49 0.32 92.06 4.17 0.73 0.09 0.22 0.00 0.90 1.82 76 F C C 37.68 19.73 10.21 29.11 119.38 -151.98 -101.95 133.99 98.42 1.48 0.09 94.33 4.04 0.20 0.04 0.04 0.00 0.65 0.69 77 P C C 98.60 2.65 21.98 24.15 103.42 -126.61 -76.88 82.57 99.24 0.68 0.08 85.21 13.45 0.66 0.02 0.04 0.00 0.33 0.27 78 I C C 35.54 19.43 9.55 27.80 125.01 127.59 -114.50 142.59 98.64 1.24 0.11 79.90 18.27 0.22 0.06 0.03 0.00 0.29 1.21 79 A C C 53.70 4.09 17.92 22.59 115.57 -105.72 -67.94 148.07 99.78 0.08 0.15 99.29 0.50 0.06 0.10 0.01 0.00 0.02 0.04 80 P H H 86.25 6.85 13.19 21.56 91.86 -113.42 -57.35 -37.98 4.39 0.01 95.60 0.71 0.43 2.91 94.00 1.95 0.00 0.00 0.00 81 E H H 126.13 2.16 18.64 20.68 91.64 54.77 -64.22 -38.28 2.52 0.01 97.48 0.31 0.17 1.81 95.43 2.26 0.00 0.00 0.00 82 I H H 34.85 13.76 16.23 30.67 92.33 49.48 -66.68 -40.79 0.86 0.00 99.14 0.13 0.06 0.57 97.11 2.12 0.00 0.00 0.00 83 A H H 16.43 17.43 15.80 33.57 91.33 52.66 -62.41 -42.62 0.17 0.00 99.83 0.03 0.01 0.09 99.69 0.18 0.00 0.00 0.00 84 L H H 84.88 4.20 22.70 26.52 91.54 51.08 -63.90 -41.19 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 85 E H H 76.57 8.15 21.79 30.46 91.67 50.84 -64.25 -41.71 0.03 0.00 99.97 0.00 0.00 0.02 99.95 0.03 0.00 0.00 0.00 86 L H H 11.31 22.34 17.83 39.89 91.73 50.57 -64.07 -42.42 0.03 0.00 99.97 0.00 0.00 0.02 99.95 0.03 0.00 0.00 0.00 87 L H H 62.06 11.33 21.99 33.15 91.37 50.59 -62.99 -42.13 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 88 M H H 92.69 3.34 24.30 26.88 91.60 49.74 -64.09 -41.70 0.14 0.00 99.86 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 89 A H H 12.56 13.93 18.11 33.55 91.54 50.88 -63.92 -42.18 0.34 0.00 99.66 0.03 0.01 0.25 99.55 0.17 0.00 0.00 0.00 90 A H H 14.23 17.54 15.17 33.17 91.49 51.56 -63.01 -41.73 0.93 0.00 99.07 0.11 0.06 0.66 98.31 0.86 0.00 0.00 0.00 91 N H H 100.44 3.51 18.88 22.67 92.09 50.15 -65.25 -39.08 3.50 0.00 96.50 0.26 0.17 2.95 94.68 1.95 0.00 0.00 0.00 92 F H H 127.75 3.81 16.78 21.39 92.53 50.91 -67.51 -32.60 10.26 0.01 89.72 0.53 0.52 9.15 88.12 1.66 0.01 0.00 0.01 93 L C H 57.19 12.53 12.01 25.11 96.16 47.93 -90.49 -0.77 50.06 0.31 49.63 3.52 4.75 40.77 48.46 2.10 0.05 0.11 0.23 94 D C T 117.32 2.13 17.46 20.15 95.41 -120.65 56.30 43.46 93.40 0.26 6.34 27.46 1.52 64.19 5.96 0.62 0.00 0.10 0.15 95 C C C 39.93 17.10 11.69 27.81 105.62 166.38 -87.29 39.59 99.94 0.05 0.01 99.89 0.06 0.02 0.00 0.00 0.00 0.02 0.01