# 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 91.45 10.68 13.55 24.53 118.72 -140.41 -94.51 133.91 99.82 0.18 0.01 99.73 0.14 0.03 0.00 0.00 0.00 0.08 0.03 1 S C C 57.71 6.77 11.94 20.21 120.95 -151.51 -95.68 147.86 99.26 0.69 0.05 98.77 0.47 0.19 0.01 0.01 0.00 0.33 0.21 2 P C C 86.06 5.61 11.85 19.11 108.94 -103.22 -68.22 145.92 97.77 1.46 0.77 75.03 12.16 10.42 0.13 0.81 0.00 1.10 0.36 3 R C C 152.03 4.94 12.71 19.36 109.61 -134.07 -90.77 114.18 94.46 4.49 1.05 60.14 22.44 11.68 0.10 1.35 0.00 3.68 0.62 4 K C C 105.06 8.08 15.08 24.12 117.16 -144.85 -99.66 133.38 80.87 18.27 0.85 56.88 20.46 3.04 0.09 0.98 0.00 17.64 0.91 5 T E E 54.07 11.85 16.86 29.21 122.96 -154.37 -113.98 140.14 46.93 52.88 0.19 40.40 4.72 0.44 0.03 0.17 0.00 53.58 0.66 6 Y E E 25.04 18.91 17.11 36.27 124.07 -160.67 -116.86 139.77 7.14 92.84 0.02 6.50 0.48 0.03 0.00 0.01 0.00 92.80 0.16 7 I E E 42.05 11.60 24.80 37.24 117.99 -150.01 -107.44 125.74 1.12 98.88 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.93 0.02 8 L E E 3.20 25.76 19.29 45.88 118.77 -162.74 -108.39 128.02 0.47 99.53 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.55 0.00 9 K E E 46.05 13.36 27.91 41.72 116.07 -158.13 -105.74 124.88 0.26 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 10 L E E 1.94 26.53 23.13 50.21 117.51 -161.41 -109.21 125.17 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 11 Y E E 16.25 19.91 27.98 47.28 116.84 -161.00 -106.30 124.47 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.01 12 V E E 4.92 24.10 22.87 46.55 130.04 174.20 -129.64 143.50 2.55 97.45 0.00 2.42 0.09 0.01 0.00 0.00 0.00 97.36 0.12 13 A C C 15.87 17.05 21.31 38.24 119.27 -149.06 -102.04 142.17 60.44 39.47 0.09 52.08 5.93 0.54 0.01 0.09 0.00 40.77 0.58 14 G C T 27.44 10.69 20.92 31.54 117.30 -24.93 80.02 -151.01 96.76 2.79 0.45 6.55 37.75 52.65 0.02 0.50 0.00 2.24 0.29 15 N C T 111.07 4.87 19.51 25.26 100.70 -24.58 -93.63 33.35 99.15 0.44 0.40 16.22 29.74 53.10 0.04 0.50 0.00 0.30 0.11 16 T C C 34.83 13.13 12.46 26.58 119.48 131.09 -92.01 143.40 98.94 0.66 0.40 68.72 29.85 0.26 0.31 0.08 0.00 0.14 0.63 17 P H H 97.90 2.13 19.44 21.30 91.91 -120.81 -59.06 -37.13 9.70 0.01 90.28 1.16 1.74 6.30 90.10 0.68 0.01 0.00 0.01 18 N H H 75.46 8.34 19.10 28.04 92.16 52.93 -66.15 -36.50 4.81 0.01 95.18 0.64 0.53 3.33 94.92 0.56 0.01 0.00 0.01 19 S H H 5.53 22.68 13.73 36.37 91.72 52.23 -64.46 -41.45 1.00 0.00 99.00 0.29 0.09 0.49 98.73 0.40 0.00 0.00 0.00 20 V H H 68.40 7.93 21.85 30.15 91.71 51.70 -63.25 -41.75 0.26 0.00 99.74 0.06 0.02 0.12 99.70 0.10 0.00 0.00 0.00 21 R H H 127.73 2.74 25.30 27.13 91.64 50.00 -64.02 -41.76 0.19 0.00 99.81 0.03 0.01 0.10 99.81 0.04 0.00 0.00 0.00 22 A H H 7.95 19.61 19.72 39.43 91.42 50.27 -63.56 -42.89 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 23 L H H 19.47 20.71 20.37 40.25 91.21 51.12 -62.53 -42.48 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 24 K H H 116.40 2.89 25.88 28.22 91.41 50.72 -63.29 -41.87 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 25 T H H 41.88 9.57 23.05 33.22 91.63 49.35 -64.64 -42.13 0.20 0.00 99.80 0.01 0.00 0.14 99.83 0.01 0.00 0.00 0.00 26 L H H 1.95 26.77 18.02 45.33 91.13 50.08 -63.30 -43.03 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 27 K H H 79.28 13.49 22.02 34.66 91.17 51.90 -61.93 -42.10 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 28 N H H 84.76 2.36 25.01 25.84 91.36 49.93 -63.89 -42.44 0.30 0.00 99.70 0.01 0.01 0.20 99.75 0.02 0.00 0.00 0.00 29 I H H 17.30 15.17 19.56 35.70 91.60 49.06 -63.76 -43.53 0.32 0.00 99.68 0.03 0.02 0.20 99.71 0.03 0.00 0.00 0.00 30 L H H 8.58 22.57 14.75 37.35 91.63 49.61 -63.78 -42.28 0.59 0.00 99.40 0.09 0.04 0.37 99.40 0.10 0.00 0.00 0.00 31 E H H 110.76 4.76 18.45 24.10 92.51 48.81 -66.67 -40.35 1.42 0.00 98.57 0.11 0.08 1.13 98.42 0.26 0.00 0.00 0.00 32 V H H 99.76 1.83 19.06 19.88 98.33 38.18 -80.44 -40.84 3.81 0.01 96.18 0.11 0.18 3.60 95.59 0.51 0.01 0.00 0.00 33 E H H 79.90 10.65 16.25 27.27 100.47 30.90 -91.37 -33.81 17.82 0.04 82.14 0.38 1.03 17.11 80.52 0.88 0.05 0.01 0.03 34 F C T 21.35 19.48 11.16 30.63 99.60 33.57 -106.03 2.78 70.52 0.94 28.54 12.97 10.56 46.11 26.19 3.17 0.03 0.34 0.63 35 Q C T 135.21 3.20 16.82 21.69 99.51 -151.31 12.90 74.27 92.72 0.94 6.33 4.43 5.92 82.77 2.17 3.57 0.00 0.44 0.70 36 G C T 54.02 3.37 16.96 21.31 93.47 -9.22 81.89 -0.26 95.60 0.29 4.11 1.77 9.33 85.00 0.49 3.11 0.00 0.18 0.11 37 V C T 53.77 10.66 17.70 29.37 99.04 103.36 -92.94 -23.09 92.29 4.04 3.67 25.66 28.18 38.53 0.44 3.41 0.00 3.29 0.50 38 Y E E 13.49 22.85 13.08 36.08 135.54 33.48 -138.08 151.82 23.02 76.93 0.05 19.38 3.33 0.16 0.01 0.04 0.00 76.34 0.75 39 A E E 41.25 7.94 26.34 34.88 126.80 -156.37 -122.09 144.01 1.89 98.10 0.01 1.75 0.07 0.00 0.00 0.00 0.00 98.13 0.04 40 L E E 27.47 23.09 15.96 38.52 121.08 -151.88 -112.62 128.93 0.64 99.36 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.38 0.01 41 K E E 77.95 9.78 24.31 34.28 122.86 -170.65 -120.50 132.81 0.19 99.81 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 42 V E E 45.03 16.98 19.26 35.93 117.37 -152.66 -105.13 125.37 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 43 I E E 20.24 16.46 18.84 36.29 121.27 -168.80 -117.33 129.50 2.12 97.88 0.00 1.95 0.09 0.00 0.00 0.00 0.00 97.92 0.04 44 D E E 42.27 8.90 22.57 32.82 107.80 -139.46 -88.31 112.56 10.78 89.21 0.01 10.37 0.33 0.03 0.00 0.01 0.00 88.82 0.44 45 V C T 13.35 22.29 13.32 36.02 93.60 -162.10 -67.64 -27.35 95.07 1.19 3.74 1.61 6.14 88.32 0.70 2.08 0.00 0.84 0.32 46 L C T 87.77 8.36 16.99 26.10 93.00 60.30 -69.33 -33.12 97.01 0.23 2.76 0.72 5.97 90.96 0.27 1.85 0.00 0.13 0.11 47 K C T 146.62 1.54 17.33 18.22 98.92 35.26 -88.44 -31.13 95.79 0.52 3.69 1.73 13.78 80.87 0.54 2.50 0.00 0.28 0.29 48 N C C 65.97 7.54 13.39 22.68 112.45 20.07 -136.05 73.25 98.02 1.32 0.66 89.51 7.55 1.06 0.39 0.21 0.00 0.82 0.47 49 P H T 55.29 14.19 11.13 25.77 93.96 167.73 -62.88 -29.41 46.21 1.10 52.69 10.39 4.09 30.03 25.56 28.75 0.03 0.72 0.43 50 Q H H 117.51 2.28 19.00 21.09 91.62 61.30 -65.92 -32.51 36.61 1.33 62.06 5.78 4.10 24.74 33.87 29.99 0.16 0.90 0.46 51 L H H 48.69 8.18 16.31 26.29 92.43 55.08 -66.61 -37.30 24.48 2.24 73.27 9.25 4.54 10.48 42.86 30.71 0.10 1.45 0.60 52 A H H 8.59 19.81 10.82 30.42 93.00 54.20 -66.53 -37.82 31.88 3.52 64.60 15.96 6.52 10.50 45.81 17.73 0.15 2.09 1.24 53 E H H 118.79 4.31 16.83 22.28 93.29 54.02 -66.04 -39.84 35.42 2.42 62.16 12.23 7.50 15.87 44.19 17.61 0.26 1.42 0.92 54 E H H 141.61 1.50 17.25 18.08 94.58 48.27 -71.02 -32.17 39.07 1.18 59.75 7.64 7.79 23.10 43.87 16.14 0.22 0.69 0.55 55 D C H 59.30 11.76 13.36 25.38 99.08 43.06 -93.83 2.52 55.58 2.20 42.22 14.71 13.49 27.84 29.68 11.88 0.20 1.18 1.02 56 K C C 135.82 4.46 19.72 25.14 96.97 -128.36 56.31 39.15 80.98 5.66 13.35 40.86 9.34 31.17 9.20 3.98 0.01 3.77 1.67 57 I C C 26.90 21.89 10.54 31.17 110.57 168.33 -84.59 118.13 71.80 20.73 7.47 63.32 4.54 3.04 5.77 2.17 0.01 13.89 7.27 58 L C C 101.13 5.28 20.21 26.17 100.16 167.79 -93.73 -25.55 76.65 16.10 7.26 47.73 17.11 12.05 4.86 2.64 0.04 12.64 2.93 59 A C S 52.64 8.21 21.24 29.58 135.50 12.39 -142.98 156.60 73.72 19.89 6.39 27.39 34.49 13.19 4.17 2.30 0.07 15.19 3.19 60 T C C 40.12 17.45 18.54 35.11 124.86 -92.22 -115.39 136.13 80.72 14.50 4.78 39.88 38.70 2.97 4.10 1.01 0.01 11.30 2.02 61 P C C 36.75 15.63 21.02 36.20 112.47 -70.21 -70.64 141.04 80.85 12.74 6.41 59.60 16.18 4.62 4.80 1.81 0.00 11.79 1.21 62 T E E 24.02 18.83 20.59 38.76 128.59 -168.53 -123.03 149.04 33.86 52.77 13.37 26.40 4.69 2.89 10.68 2.99 0.03 48.09 4.25 63 L E E 42.87 16.06 22.03 37.66 116.53 -142.57 -101.41 127.05 19.73 64.12 16.15 14.55 3.23 2.39 13.97 2.65 0.03 60.79 2.38 64 A E E 28.03 17.08 18.70 35.30 122.64 -165.05 -112.47 134.99 19.11 65.56 15.33 14.32 2.66 2.16 13.31 2.36 0.02 63.84 1.33 65 K E E 83.98 11.49 18.46 30.21 119.92 -161.12 -108.86 132.12 25.98 64.48 9.55 18.14 5.08 3.26 7.38 2.37 0.01 62.48 1.27 66 V E E 77.94 9.08 17.12 26.97 112.56 -145.80 -93.83 118.05 45.00 49.73 5.27 26.75 13.87 5.29 3.67 1.66 0.02 47.37 1.37 67 L C C 55.85 12.29 11.21 24.32 123.11 155.55 -113.41 141.03 67.34 30.75 1.92 37.60 25.90 4.37 1.28 0.78 0.00 28.56 1.52 68 P C C 85.47 3.86 15.31 19.92 114.30 -88.93 -69.21 149.38 87.07 9.46 3.47 46.77 28.15 11.66 2.26 1.43 0.00 8.92 0.81 69 L C T 110.12 4.33 13.46 19.23 115.15 -64.87 -78.91 140.74 82.68 6.71 10.61 25.53 27.34 29.85 8.08 2.83 0.01 5.45 0.90 70 P C C 69.09 7.56 13.07 21.96 113.33 -6.96 -71.49 144.67 77.66 12.46 9.88 38.17 16.75 22.04 7.51 2.57 0.01 12.00 0.95 71 V E E 62.86 11.11 14.16 26.18 117.72 -147.55 -99.29 133.15 42.49 44.40 13.11 32.80 5.50 3.44 10.99 2.34 0.02 43.06 1.85 72 R E E 93.49 12.96 16.73 29.80 124.76 -163.14 -118.26 138.02 24.64 61.65 13.72 19.18 3.07 1.86 12.32 1.75 0.01 60.62 1.19 73 R E E 97.74 11.68 20.22 32.00 124.05 -161.21 -116.29 134.60 16.36 68.49 15.15 12.70 1.83 1.38 14.24 1.62 0.01 67.10 1.11 74 I E E 31.30 19.16 16.19 35.18 115.13 -143.44 -99.39 124.60 16.43 68.96 14.61 13.39 1.36 1.21 14.19 1.48 0.01 66.71 1.65 75 I E E 68.94 10.70 20.44 31.39 117.35 -169.67 -106.90 127.64 29.54 54.74 15.71 20.01 5.68 4.02 14.00 2.55 0.03 52.04 1.66 76 G C S 28.57 7.46 20.46 28.68 133.02 23.78 124.10 -169.97 59.47 29.12 11.40 22.32 27.36 10.77 7.76 3.45 0.06 26.37 1.90 77 D C C 79.05 6.52 20.35 27.37 111.31 -37.80 -94.72 115.51 74.00 13.18 12.82 53.36 11.87 8.06 8.14 5.06 0.01 11.64 1.85 78 L C C 34.66 20.86 11.71 31.72 95.81 -165.16 -76.86 -4.79 64.23 4.20 31.56 33.28 9.11 21.99 12.74 18.82 0.02 2.85 1.20 79 S C T 73.53 4.71 17.88 23.82 92.38 85.84 -73.72 -16.09 63.95 2.89 33.16 22.63 13.83 27.98 14.32 18.40 0.05 1.71 1.08 80 D C C 73.31 5.99 16.84 24.01 103.67 72.15 -99.33 70.58 71.47 2.30 26.22 49.62 13.15 8.49 15.38 11.20 0.00 1.23 0.93 81 R H H 85.50 16.67 13.32 29.04 94.03 156.03 -64.31 -36.80 23.85 1.72 74.44 13.83 5.61 6.38 67.44 5.02 0.03 1.33 0.35 82 E H H 111.60 6.12 18.20 25.47 92.01 56.50 -63.38 -40.50 15.05 3.13 81.82 7.91 2.73 5.30 75.13 5.36 0.04 3.23 0.29 83 K H H 107.76 4.69 19.97 25.08 92.55 49.38 -66.36 -40.41 11.19 7.19 81.63 6.58 1.66 3.16 75.16 5.02 0.03 8.04 0.35 84 V H H 15.55 18.55 16.02 34.63 92.38 49.25 -65.51 -42.83 8.59 10.99 80.41 4.88 1.13 2.10 75.83 3.43 0.02 12.28 0.32 85 L H H 27.79 16.33 17.28 33.73 92.39 49.28 -65.84 -40.76 9.30 19.93 70.76 4.93 1.21 2.45 67.23 3.27 0.03 20.28 0.60 86 I H H 82.80 5.89 19.52 25.98 92.88 51.82 -66.44 -40.27 13.47 19.96 66.58 5.91 1.87 5.16 61.65 4.47 0.11 19.96 0.87 87 G H H 30.79 9.66 17.74 28.05 93.05 51.32 -67.07 -32.25 28.52 10.59 60.89 7.92 3.64 16.78 54.38 5.79 0.39 9.88 1.22 88 L C T 41.63 16.63 15.19 31.41 97.17 49.57 -89.02 -2.57 66.79 3.13 30.08 6.46 7.90 49.89 26.58 5.74 0.27 2.20 0.95 89 D C T 101.70 4.82 20.40 25.77 96.61 -115.47 56.31 32.87 76.84 4.20 18.96 11.95 9.06 54.51 15.94 4.30 0.08 3.21 0.94 90 L C C 43.69 15.78 12.67 28.36 109.39 144.22 -92.56 101.28 62.21 19.03 18.76 44.40 9.37 7.27 15.59 4.41 0.07 14.93 3.95 91 L C C 82.84 8.68 17.09 26.40 113.03 152.77 -96.79 120.16 57.37 21.77 20.86 41.79 7.87 6.66 16.98 4.88 0.06 18.16 3.60 92 Y C C 106.69 11.53 13.73 25.51 109.30 -150.39 -90.36 113.54 52.86 16.76 30.38 34.62 8.16 10.10 19.97 10.72 0.11 13.52 2.82 93 G C C 41.94 6.55 14.81 22.29 114.73 -92.57 -62.65 -31.68 57.92 6.38 35.69 27.86 13.39 17.72 18.37 16.69 0.12 4.20 1.65 94 E C C 130.31 3.76 14.84 19.89 111.50 -72.90 -88.84 121.47 57.88 5.77 36.35 30.80 12.30 15.48 18.76 17.22 0.07 3.74 1.64 95 L C C 76.18 11.64 9.92 21.85 113.55 -135.53 -90.27 131.37 66.87 5.00 28.13 43.01 13.67 10.06 17.22 11.27 0.02 3.00 1.74 96 Q C C 110.66 5.18 12.34 19.09 114.23 -144.98 -92.23 133.03 75.41 4.99 19.60 56.06 10.07 8.58 13.88 6.36 0.01 3.17 1.88 97 D C C 95.40 5.08 10.93 17.68 111.71 -137.79 -91.11 124.32 76.23 3.54 20.23 54.74 10.50 10.82 11.48 8.89 0.00 2.20 1.37 98 S C C 73.25 5.15 9.25 16.03 101.87 -159.57 -83.52 1.39 69.69 2.50 27.80 38.03 12.59 19.59 8.73 18.61 0.01 1.40 1.03 99 D C C 112.52 2.28 10.03 13.64 101.12 81.95 -82.63 -0.71 71.17 2.58 26.26 32.39 14.62 25.21 6.23 19.08 0.01 1.40 1.06 100 D C C 102.07 3.28 9.34 14.30 104.43 80.66 -88.48 36.27 78.48 2.43 19.09 58.21 4.40 17.23 5.02 12.62 0.00 1.49 1.02 101 F C C 112.31 8.13 9.72 18.85 108.03 125.03 -91.74 87.41 99.76 0.19 0.05 99.58 0.17 0.11 0.02 0.01 0.00 0.09 0.03