# 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 92.21 9.25 15.59 25.52 117.47 -162.54 -93.89 136.44 99.88 0.12 0.00 99.86 0.06 0.01 0.00 0.00 0.00 0.07 0.00 1 M C C 69.77 11.43 15.14 27.37 119.67 -153.62 -105.69 136.11 66.53 33.45 0.03 65.30 0.50 0.10 0.00 0.01 0.00 33.73 0.35 2 Y E E 81.86 11.24 18.54 30.41 124.14 -154.41 -113.54 141.63 8.26 91.74 0.00 7.45 0.41 0.01 0.00 0.00 0.00 92.00 0.11 3 V E E 6.85 22.59 16.62 39.84 122.81 -158.41 -118.28 136.08 0.61 99.39 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.40 0.01 4 K E E 62.35 10.29 25.78 36.68 116.63 -145.33 -102.22 127.21 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 5 L E E 3.76 25.25 17.90 43.94 122.48 -166.93 -115.62 134.42 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 6 I E E 37.66 10.16 24.76 36.19 117.27 -152.38 -107.80 126.39 0.42 99.58 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.54 0.05 7 S C C 6.84 19.79 14.59 35.11 125.05 -143.91 -85.36 169.83 76.45 23.53 0.02 76.94 0.29 0.03 0.00 0.01 0.00 22.19 0.54 8 S C T 61.18 9.57 16.14 26.83 90.03 -98.22 -63.66 -22.03 99.34 0.17 0.49 0.28 3.69 95.43 0.01 0.46 0.00 0.10 0.02 9 D C T 88.47 4.64 16.21 22.03 92.45 59.51 -87.97 1.97 99.46 0.05 0.48 0.20 3.46 95.83 0.01 0.46 0.00 0.02 0.01 10 G C S 44.55 4.51 16.39 22.10 96.88 -101.33 89.59 5.73 99.41 0.28 0.31 13.81 84.54 1.20 0.03 0.20 0.00 0.11 0.11 11 H C C 70.27 9.61 15.50 26.67 117.94 137.02 -78.55 141.80 96.66 3.32 0.02 96.30 0.96 0.04 0.01 0.01 0.00 2.20 0.48 12 E E E 90.39 11.57 18.24 30.32 122.79 -151.82 -115.12 135.08 0.80 99.19 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.01 0.16 13 F E E 24.43 19.05 18.23 37.39 129.95 -175.46 -130.96 144.16 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 14 I E E 62.77 11.01 24.86 36.10 116.49 -141.16 -100.89 125.81 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 15 V E E 4.76 24.61 15.98 41.27 126.01 -172.24 -122.10 140.93 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 16 K E E 82.53 7.18 24.69 32.17 112.90 -116.57 -73.47 138.26 6.19 93.81 0.01 6.35 0.08 0.00 0.00 0.00 0.00 93.39 0.17 17 R H H 78.00 17.75 14.84 31.92 91.66 -124.81 -57.45 -38.93 4.69 0.05 95.26 0.52 0.46 3.44 74.89 20.63 0.02 0.04 0.01 18 E H H 124.72 2.44 23.06 25.20 91.13 56.93 -63.59 -35.99 2.28 0.01 97.71 0.16 0.16 1.81 78.28 19.58 0.00 0.01 0.00 19 H H H 48.81 12.74 19.78 32.85 92.50 49.63 -67.69 -38.62 1.41 0.01 98.59 0.11 0.11 1.05 79.86 18.86 0.00 0.00 0.00 20 A H H 2.62 25.64 13.82 39.73 91.44 54.60 -65.68 -35.81 5.49 0.03 94.47 0.56 0.48 3.98 77.79 17.15 0.01 0.02 0.01 21 L C T 77.31 10.63 19.21 30.17 91.32 57.97 -73.42 -17.86 52.01 0.13 47.86 1.88 1.94 47.95 37.13 10.91 0.03 0.06 0.10 22 T C T 85.16 4.68 20.41 25.46 94.11 61.80 -84.87 -10.48 71.94 0.22 27.84 4.01 6.40 61.46 18.89 8.96 0.02 0.10 0.18 23 S C S 23.42 17.33 11.10 28.25 116.82 90.65 -87.91 134.35 97.56 1.05 1.40 46.32 50.44 0.67 1.23 0.18 0.00 0.17 1.01 24 G H H 50.55 2.51 19.49 22.37 94.07 -141.32 -63.09 -38.13 7.96 0.04 92.00 0.86 2.92 4.04 91.68 0.45 0.01 0.01 0.02 25 T H H 60.86 9.19 19.13 28.72 92.49 51.19 -66.23 -41.19 2.26 0.01 97.73 0.23 0.28 1.60 97.51 0.37 0.01 0.00 0.00 26 I H H 7.93 23.48 15.10 38.44 91.87 47.34 -65.45 -42.67 0.64 0.01 99.36 0.12 0.06 0.37 99.14 0.30 0.00 0.00 0.00 27 K H H 91.48 10.93 19.25 30.28 91.19 52.50 -61.48 -42.17 0.28 0.00 99.71 0.05 0.02 0.15 99.53 0.25 0.00 0.00 0.00 28 A H H 55.92 3.74 22.00 25.59 91.49 50.94 -64.42 -40.06 0.54 0.00 99.46 0.05 0.03 0.38 99.09 0.44 0.00 0.00 0.00 29 M H H 49.40 14.98 18.49 33.23 92.44 50.28 -67.26 -37.34 1.69 0.01 98.30 0.10 0.09 1.45 97.47 0.89 0.00 0.00 0.00 30 L H H 30.70 20.02 16.10 35.23 93.10 50.03 -74.02 -25.31 8.71 0.02 91.27 0.34 0.49 8.00 90.30 0.84 0.02 0.01 0.01 31 S H H 69.49 5.18 19.44 24.87 98.36 53.88 -88.53 -7.94 39.05 0.41 60.54 4.27 7.03 27.95 58.86 1.39 0.09 0.12 0.29 32 G C C 27.79 8.63 14.11 23.89 128.28 92.88 92.85 175.27 96.38 1.35 2.27 54.72 36.87 4.75 0.73 1.45 0.00 0.51 0.97 33 P C T 102.26 3.52 14.79 19.28 106.64 -55.59 -67.31 133.48 85.19 1.03 13.78 15.08 17.12 52.29 1.53 12.86 0.00 0.55 0.55 34 G C T 49.65 4.80 14.48 20.66 104.04 20.80 82.81 -1.30 84.79 1.61 13.60 15.80 16.32 52.09 1.69 12.48 0.00 0.97 0.65 35 Q C C 111.11 5.58 16.04 22.75 106.30 110.98 -92.44 36.31 83.60 4.92 11.47 56.58 15.77 9.76 1.98 10.99 0.00 2.74 2.18 36 F C C 60.82 16.42 9.72 25.27 120.21 89.84 -100.62 138.66 81.94 13.03 5.03 64.29 11.94 4.20 2.18 3.02 0.01 5.89 8.48 37 A C C 54.86 5.19 15.28 21.66 117.65 -127.64 -88.69 150.93 89.40 5.84 4.76 77.54 7.19 4.29 1.64 3.13 0.00 3.38 2.84 38 E C T 136.00 4.36 12.37 18.48 97.93 -105.78 -66.85 -27.89 89.84 1.88 8.28 12.83 17.26 59.75 1.70 6.48 0.01 1.14 0.84 39 N C T 125.22 1.87 14.44 16.59 97.59 41.97 -80.99 11.68 91.87 1.06 7.08 15.92 15.96 59.89 1.17 6.00 0.00 0.64 0.43 40 E C C 82.38 10.66 10.56 21.99 113.42 120.54 -87.80 129.08 90.38 3.10 6.52 66.32 17.02 6.41 1.40 5.58 0.00 1.61 1.65 41 T C C 88.28 5.41 15.44 22.13 109.18 -161.66 -96.02 53.55 90.46 4.37 5.18 53.76 23.42 13.45 1.01 4.24 0.00 2.89 1.22 42 N C C 75.24 10.87 16.35 27.33 101.36 50.76 -96.25 23.99 81.04 15.03 3.92 41.65 26.47 13.25 0.54 3.49 0.00 13.44 1.15 43 E E E 72.07 12.69 18.23 31.19 123.77 110.60 -107.51 140.19 46.76 52.42 0.83 40.50 5.13 0.81 0.34 0.58 0.00 49.70 2.93 44 V E E 17.13 20.41 16.55 37.21 120.65 -159.48 -114.49 128.76 21.68 78.13 0.20 20.47 1.03 0.14 0.10 0.11 0.00 74.64 3.51 45 N E E 77.86 7.95 23.98 32.42 113.63 -142.17 -92.57 122.77 22.55 77.20 0.25 21.41 0.91 0.18 0.12 0.14 0.00 73.59 3.64 46 F C C 16.59 23.02 12.85 35.73 104.89 -176.48 -106.28 40.52 75.55 20.23 4.21 71.43 2.65 1.77 0.66 3.53 0.00 18.01 1.95 47 R C T 137.99 5.83 19.45 26.39 96.30 129.63 -67.22 -27.74 87.69 7.69 4.63 15.90 18.87 53.20 0.28 4.86 0.00 5.99 0.89 48 E C T 133.28 3.53 20.73 24.59 96.19 42.67 -84.85 8.72 89.30 7.04 3.66 11.11 24.20 54.40 0.26 3.77 0.00 5.51 0.73 49 I C S 13.46 23.49 9.80 32.59 117.80 111.77 -94.30 132.52 96.05 3.77 0.18 32.39 64.30 0.33 0.07 0.08 0.00 1.68 1.16 50 P C C 55.17 5.37 21.75 27.88 114.75 -108.18 -65.23 145.53 96.94 2.87 0.18 97.21 0.31 0.05 0.12 0.02 0.00 1.22 1.07 51 S H H 48.29 13.53 15.22 29.26 91.58 -115.87 -58.57 -37.44 2.44 0.00 97.55 0.25 0.30 1.77 97.06 0.61 0.00 0.00 0.00 52 H H H 111.63 4.63 22.23 27.33 91.61 56.18 -64.88 -37.59 0.98 0.00 99.02 0.05 0.06 0.85 98.49 0.56 0.00 0.00 0.00 53 V H H 18.47 17.11 20.31 37.44 92.62 49.58 -65.60 -42.41 0.24 0.00 99.76 0.02 0.01 0.17 99.45 0.34 0.00 0.00 0.00 54 L H H 7.17 24.40 19.20 43.61 91.33 50.85 -62.69 -42.68 0.07 0.00 99.93 0.00 0.00 0.04 99.90 0.05 0.00 0.00 0.00 55 S H H 40.24 10.60 24.19 34.85 91.49 51.98 -62.94 -41.03 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 56 K H H 68.88 10.88 25.32 36.37 91.82 50.40 -65.09 -41.36 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 57 V H H 2.49 25.57 22.10 47.52 91.50 49.47 -63.86 -43.71 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 58 C H H 11.03 20.50 22.96 42.86 91.03 51.20 -62.72 -42.38 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 59 M H H 74.88 8.05 26.10 34.72 91.56 51.15 -63.75 -41.70 0.13 0.00 99.87 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 60 Y H H 27.00 16.73 22.41 39.17 91.47 50.83 -63.44 -43.15 0.19 0.00 99.81 0.01 0.01 0.15 99.68 0.15 0.00 0.00 0.00 61 F H H 12.48 21.75 20.35 41.79 91.73 49.60 -64.41 -41.39 0.60 0.00 99.40 0.04 0.03 0.48 99.05 0.41 0.00 0.00 0.00 62 T H H 41.41 12.15 21.20 33.51 92.17 51.12 -65.42 -40.08 3.52 0.01 96.47 0.26 0.22 2.93 95.45 1.13 0.01 0.00 0.00 63 Y H H 79.38 9.76 19.39 29.89 93.07 51.09 -67.72 -36.44 14.70 0.07 85.23 1.60 1.34 11.67 82.93 2.36 0.03 0.03 0.04 64 K H H 71.44 12.92 17.27 30.18 93.57 55.51 -68.20 -33.13 26.82 0.41 72.77 6.01 3.42 17.84 66.13 6.08 0.10 0.20 0.22 65 V H H 51.57 12.79 15.68 28.70 94.87 54.51 -72.55 -29.76 43.00 1.12 55.88 10.84 7.93 25.17 46.39 8.34 0.18 0.55 0.61 66 R C H 138.02 4.84 17.58 23.06 98.45 50.76 -84.83 -4.56 55.76 2.04 42.20 21.73 8.40 26.67 33.59 7.54 0.08 0.95 1.06 67 Y C C 89.71 11.83 11.07 23.40 104.69 86.53 -85.09 50.42 79.71 2.73 17.56 60.29 8.81 9.54 14.52 3.94 0.00 1.23 1.67 68 T C C 85.11 5.35 13.24 19.81 106.23 106.95 -93.45 3.14 84.90 1.94 13.17 47.21 13.48 24.56 8.61 4.11 0.00 0.94 1.08 69 N C C 118.82 2.83 12.94 17.02 101.43 51.26 -90.69 20.55 89.06 1.49 9.45 37.24 22.33 30.30 4.25 4.37 0.00 0.67 0.85 70 S C C 50.19 8.37 9.46 19.19 117.91 111.51 -99.20 142.85 92.27 1.61 6.12 62.94 16.99 12.22 2.46 3.53 0.00 0.72 1.13 71 S C C 86.07 3.26 12.00 16.58 98.91 -151.53 -84.57 -6.20 94.05 0.87 5.07 43.94 32.38 17.86 1.31 3.61 0.00 0.39 0.50 72 T C S 92.53 3.70 12.43 17.56 106.29 71.10 -89.37 20.99 94.64 1.43 3.93 32.51 49.01 13.26 0.82 3.01 0.00 0.73 0.65 73 E C C 129.43 3.40 15.69 20.18 116.18 8.15 -98.65 135.64 92.87 4.11 3.03 67.01 20.57 4.75 0.77 2.54 0.00 1.97 2.38 74 I C C 51.74 17.44 9.88 26.49 115.17 -126.09 -89.19 129.39 97.61 1.98 0.40 91.64 5.70 0.38 0.17 0.18 0.00 0.98 0.95 75 P C C 50.99 8.69 15.28 25.71 116.15 -114.35 -67.48 152.32 98.88 0.58 0.54 96.23 1.82 1.00 0.13 0.30 0.00 0.31 0.20 76 E C C 142.57 2.96 18.02 22.37 113.08 -104.46 -76.08 136.09 97.60 1.88 0.53 90.60 5.40 1.27 0.12 0.46 0.00 0.68 1.47 77 F C C 40.40 19.77 9.54 28.22 118.86 -145.61 -97.70 134.97 98.70 1.17 0.13 93.34 5.14 0.30 0.05 0.06 0.00 0.48 0.63 78 P C C 102.21 2.33 21.49 23.17 101.27 -129.98 -80.27 38.29 99.32 0.59 0.09 78.62 19.77 0.99 0.02 0.06 0.00 0.27 0.26 79 I C C 35.89 18.65 9.39 27.07 124.62 116.69 -112.52 143.69 98.54 1.34 0.12 68.32 29.71 0.27 0.07 0.04 0.00 0.28 1.31 80 A C C 55.46 3.79 18.07 22.26 115.24 -103.82 -66.52 146.68 99.77 0.08 0.15 99.26 0.51 0.06 0.10 0.01 0.00 0.02 0.04 81 P H H 84.11 7.42 12.87 21.77 91.68 -113.83 -57.32 -38.02 4.41 0.01 95.59 0.68 0.39 2.99 93.35 2.58 0.00 0.00 0.00 82 E H H 126.37 2.19 18.61 20.73 91.65 55.33 -64.26 -38.05 2.53 0.01 97.47 0.31 0.16 1.86 94.69 2.97 0.00 0.00 0.00 83 I H H 36.11 13.42 16.30 30.46 92.39 49.59 -66.96 -40.51 0.94 0.00 99.06 0.13 0.06 0.65 96.03 3.13 0.00 0.00 0.00 84 A H H 15.82 17.54 15.67 33.56 91.44 53.00 -62.43 -42.70 0.24 0.00 99.76 0.04 0.01 0.13 99.56 0.26 0.00 0.00 0.00 85 L H H 84.30 4.31 22.61 26.55 91.55 51.03 -64.01 -41.08 0.08 0.00 99.92 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 86 E H H 76.05 8.19 21.70 30.44 91.70 50.79 -64.26 -41.64 0.03 0.00 99.97 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 87 L H H 11.28 22.41 17.80 39.88 91.79 50.54 -64.04 -42.43 0.03 0.00 99.97 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 88 L H H 63.19 11.28 21.96 33.05 91.43 50.64 -62.98 -42.12 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 89 M H H 92.91 3.35 24.36 26.92 91.66 49.59 -64.21 -41.64 0.22 0.00 99.78 0.01 0.01 0.17 99.73 0.07 0.00 0.00 0.00 90 A H H 12.69 14.03 18.12 33.60 91.67 50.87 -64.09 -42.20 0.54 0.00 99.46 0.05 0.03 0.40 99.27 0.24 0.00 0.00 0.00 91 A H H 13.93 17.75 15.15 33.31 91.57 51.96 -63.11 -41.43 1.36 0.00 98.63 0.19 0.10 0.95 97.35 1.39 0.00 0.00 0.00 92 N H H 101.17 3.52 19.02 22.78 92.03 50.10 -65.58 -38.87 4.72 0.01 95.28 0.40 0.25 3.95 92.44 2.95 0.00 0.00 0.00 93 F H H 127.67 3.82 16.83 21.44 92.49 50.98 -67.86 -31.99 11.84 0.02 88.14 0.76 0.71 10.33 85.91 2.25 0.01 0.01 0.01 94 L H H 55.09 12.92 11.85 25.27 96.24 49.72 -89.67 -1.68 48.92 0.56 50.53 4.85 6.22 37.53 48.22 2.51 0.10 0.20 0.37 95 D C T 117.08 2.16 17.66 20.37 95.62 -122.35 55.66 44.53 94.01 0.35 5.64 34.01 1.68 58.30 5.02 0.64 0.00 0.15 0.21 96 C C C 39.88 17.44 11.75 28.05 105.65 164.49 -89.02 38.94 99.93 0.06 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.02 0.01