# 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 115.50 5.01 14.71 21.00 116.03 -160.36 -94.34 132.02 99.89 0.11 0.00 99.88 0.04 0.01 0.00 0.00 0.00 0.06 0.01 1 A C C 58.82 9.59 11.47 21.96 117.95 -143.02 -91.28 137.81 86.23 13.61 0.16 85.96 0.38 0.44 0.04 0.06 0.00 12.47 0.65 2 R C E 107.80 9.11 15.10 25.24 120.24 -152.45 -103.10 137.87 52.10 47.70 0.20 44.81 5.30 0.63 0.04 0.17 0.00 48.14 0.91 3 K E E 99.18 9.59 18.57 28.70 120.41 -137.88 -102.88 135.19 24.15 75.74 0.10 21.60 1.62 0.18 0.02 0.07 0.00 75.93 0.58 4 Y E E 23.55 19.88 16.04 35.92 131.38 -173.36 -129.73 149.73 8.60 91.37 0.03 8.11 0.36 0.03 0.01 0.01 0.00 91.18 0.29 5 E E E 51.46 12.09 24.20 36.68 120.39 -141.55 -107.83 134.92 5.02 94.97 0.01 4.57 0.26 0.02 0.00 0.00 0.00 95.09 0.06 6 I E E 8.38 23.46 19.94 43.35 123.56 -164.45 -117.82 133.90 3.55 96.44 0.01 3.39 0.10 0.01 0.00 0.00 0.00 96.46 0.04 7 M E E 24.50 17.09 25.51 42.37 122.88 -161.53 -115.42 133.95 1.87 98.12 0.00 1.73 0.07 0.00 0.00 0.00 0.00 98.18 0.02 8 Y E E 9.72 23.74 23.89 46.96 125.22 -166.12 -119.45 134.57 0.54 99.46 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 9 I E E 14.28 19.81 26.87 46.14 117.28 -159.23 -108.27 124.19 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 10 I E E 7.12 23.42 20.70 43.95 128.14 -174.41 -120.67 144.23 2.81 97.19 0.00 2.79 0.06 0.00 0.00 0.00 0.00 96.78 0.36 11 R C C 59.32 12.57 21.42 34.47 111.92 -107.94 -72.13 133.54 85.95 14.04 0.01 86.35 0.48 0.02 0.00 0.00 0.00 12.87 0.28 12 P C T 52.98 13.42 15.71 29.70 92.89 -123.94 -62.65 -25.43 97.96 1.38 0.66 2.91 8.61 86.41 0.03 0.70 0.00 1.21 0.14 13 N C T 121.75 1.66 19.96 20.98 93.52 60.14 -86.74 3.37 99.12 0.32 0.56 3.31 8.99 86.78 0.03 0.60 0.00 0.22 0.06 14 I C C 31.93 17.53 7.79 24.49 118.73 112.12 -79.21 143.20 98.56 1.06 0.37 52.33 45.83 0.39 0.15 0.16 0.00 0.28 0.86 15 E C C 121.56 1.58 17.92 18.17 115.75 -105.21 -69.80 151.02 99.75 0.09 0.16 99.40 0.36 0.07 0.09 0.01 0.00 0.02 0.05 16 E H H 128.49 4.80 11.67 18.61 91.84 -109.62 -57.13 -40.16 2.23 0.00 97.77 0.38 0.29 1.30 97.31 0.72 0.00 0.00 0.00 17 D H H 113.73 0.85 16.33 15.51 92.15 51.99 -64.64 -38.87 1.36 0.00 98.64 0.15 0.11 0.95 97.89 0.90 0.00 0.00 0.00 18 E H H 85.78 5.94 15.78 22.96 92.32 48.61 -66.60 -39.56 0.62 0.00 99.38 0.12 0.05 0.34 98.75 0.73 0.00 0.00 0.00 19 K H H 44.18 17.19 13.11 29.96 91.47 52.39 -62.87 -42.45 0.37 0.00 99.63 0.08 0.03 0.17 99.56 0.15 0.00 0.00 0.00 20 K H H 114.99 4.07 20.65 25.20 91.58 50.52 -63.66 -41.02 0.39 0.00 99.61 0.07 0.02 0.20 99.66 0.06 0.00 0.00 0.00 21 A H H 48.07 2.95 21.96 24.36 91.42 50.46 -63.37 -42.02 0.41 0.00 99.59 0.05 0.02 0.25 99.63 0.05 0.00 0.00 0.00 22 V H H 14.75 17.64 18.81 36.76 91.75 49.48 -63.97 -43.15 0.30 0.00 99.70 0.04 0.01 0.17 99.75 0.03 0.00 0.00 0.00 23 V H H 18.68 19.29 18.92 37.91 91.42 50.06 -62.81 -43.07 0.12 0.00 99.88 0.01 0.01 0.07 99.90 0.01 0.00 0.00 0.00 24 E H H 115.35 2.53 24.40 26.21 91.38 50.57 -63.74 -41.57 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 25 R H H 107.83 6.65 23.18 30.10 91.80 49.57 -64.66 -41.59 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 26 F H H 6.03 24.95 18.08 42.97 91.70 48.86 -65.11 -42.82 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.02 0.00 0.00 0.00 27 D H H 49.16 14.68 20.80 34.82 91.34 52.07 -62.46 -40.72 0.33 0.00 99.67 0.03 0.01 0.21 99.72 0.03 0.00 0.00 0.00 28 G H H 34.54 2.68 24.19 25.76 91.59 51.03 -64.00 -41.88 1.17 0.00 98.83 0.07 0.05 0.87 98.95 0.06 0.00 0.00 0.00 29 I H H 27.05 13.38 20.29 34.47 92.02 49.92 -64.52 -43.27 1.06 0.00 98.94 0.08 0.08 0.74 98.97 0.12 0.00 0.00 0.00 30 L H H 4.99 24.87 14.05 39.08 91.89 49.96 -64.19 -42.65 1.42 0.02 98.56 0.28 0.15 0.87 98.16 0.51 0.00 0.01 0.01 31 T H H 81.89 6.04 19.11 26.10 92.45 49.54 -65.01 -40.45 2.07 0.02 97.91 0.34 0.13 1.48 96.84 1.19 0.00 0.01 0.00 32 E H H 144.83 1.46 20.02 20.66 90.98 53.68 -66.37 -27.58 10.24 0.03 89.73 0.23 0.31 10.38 88.07 0.96 0.02 0.01 0.01 33 N C T 52.40 13.51 14.73 28.77 94.80 49.79 -93.87 5.44 85.57 0.03 14.41 0.20 0.91 84.82 13.40 0.63 0.00 0.01 0.02 34 G C T 42.55 3.94 22.81 27.12 97.96 -99.58 90.04 9.97 99.91 0.02 0.08 0.57 0.99 98.39 0.02 0.01 0.00 0.01 0.00 35 A C C 7.39 24.14 9.82 33.29 121.22 138.43 -84.61 150.72 85.51 14.48 0.01 84.29 0.90 0.03 0.00 0.01 0.00 14.62 0.15 36 E E E 106.10 3.44 25.43 28.69 119.44 -142.92 -109.00 134.82 6.32 93.67 0.01 6.05 0.21 0.01 0.00 0.00 0.00 93.59 0.13 37 I E E 54.63 19.40 13.11 31.79 110.25 -125.33 -80.55 121.78 0.66 99.34 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.29 0.02 38 I E E 83.55 6.09 18.65 25.98 101.41 175.26 -95.63 -33.64 1.30 98.70 0.00 0.95 0.16 0.01 0.00 0.00 0.00 98.87 0.01 39 E E E 91.33 4.53 21.77 27.13 138.79 -0.95 -154.71 151.66 0.84 99.15 0.00 0.60 0.09 0.01 0.00 0.00 0.00 99.28 0.01 40 S E E 43.32 19.50 11.46 29.37 130.40 -170.21 -140.13 140.31 1.75 98.24 0.01 1.48 0.10 0.01 0.00 0.00 0.00 98.38 0.02 41 K E E 103.31 4.95 20.29 26.35 127.04 -175.15 -132.89 141.41 3.93 96.05 0.02 2.99 0.56 0.04 0.00 0.01 0.00 96.36 0.04 42 E E E 118.52 6.94 15.92 24.46 112.33 -121.69 -84.22 126.61 8.17 91.81 0.03 7.05 0.53 0.05 0.00 0.02 0.00 92.28 0.08 43 W E E 89.47 13.21 12.66 26.26 102.38 176.04 -102.28 2.22 17.34 82.43 0.23 15.55 0.89 0.21 0.08 0.09 0.00 82.99 0.20 44 G E E 30.70 3.94 19.13 23.74 129.62 -117.76 106.76 -168.99 11.24 88.56 0.20 6.89 3.87 0.64 0.05 0.12 0.00 88.22 0.19 45 K E E 130.33 6.25 15.24 23.22 116.83 -39.11 -87.49 135.55 5.35 94.42 0.23 4.31 0.69 0.15 0.10 0.08 0.00 94.58 0.10 46 R E E 88.84 10.95 13.51 25.65 129.36 -176.98 -131.65 145.47 2.47 97.31 0.22 2.16 0.19 0.08 0.11 0.06 0.00 97.32 0.09 47 R E E 154.92 3.29 17.48 21.99 114.32 -121.66 -84.96 131.33 3.31 96.50 0.19 3.08 0.17 0.06 0.12 0.05 0.00 96.33 0.18 48 L E E 41.44 17.07 8.58 24.81 113.58 -128.20 -81.22 134.46 32.41 67.16 0.43 30.64 0.99 0.20 0.20 0.14 0.00 67.42 0.40 49 A C E 77.09 2.92 15.81 19.55 95.99 -150.22 -79.83 -21.76 57.13 42.64 0.23 24.59 30.06 2.31 0.03 0.20 0.00 42.45 0.37 50 Y E E 120.32 4.01 14.91 20.16 132.18 33.62 -135.96 155.06 46.97 52.82 0.22 11.62 34.12 2.16 0.03 0.18 0.00 51.35 0.55 51 E E E 127.64 4.32 12.98 19.10 114.57 -106.72 -80.92 133.07 44.72 54.84 0.44 40.96 2.65 0.52 0.14 0.28 0.00 53.68 1.77 52 I C C 60.09 11.78 8.50 20.72 119.24 -174.65 -124.47 123.18 53.43 45.51 1.06 46.32 4.69 1.53 0.39 0.78 0.00 35.89 10.39 53 N C T 127.82 1.73 13.58 15.67 98.66 -26.23 53.04 32.49 93.42 3.45 3.13 10.38 30.20 52.86 0.23 3.09 0.00 2.73 0.50 54 D C T 123.30 1.66 13.76 15.90 96.54 -38.27 45.88 13.09 92.67 4.52 2.81 9.90 30.59 52.04 0.16 2.97 0.00 3.90 0.44 55 Y E E 81.16 11.14 11.03 23.25 119.51 103.37 -106.71 133.36 34.72 64.49 0.79 28.15 4.98 1.74 0.15 0.69 0.00 62.17 2.12 56 R E E 109.51 8.77 16.49 26.24 104.79 -170.59 -105.46 -6.16 22.71 77.21 0.07 18.27 3.47 0.49 0.02 0.07 0.00 77.27 0.42 57 D E E 59.22 9.23 20.91 30.64 128.86 31.66 -121.98 144.61 12.38 87.57 0.04 9.02 2.90 0.31 0.00 0.03 0.00 87.61 0.13 58 G E E 6.73 17.92 17.76 35.92 141.39 157.48 -156.26 174.44 4.72 95.27 0.01 3.83 0.59 0.04 0.00 0.01 0.00 95.49 0.04 59 F E E 34.74 14.26 22.40 37.54 126.61 -100.95 -123.50 143.53 0.85 99.15 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.18 0.01 60 Y E E 37.08 17.15 20.97 38.10 121.29 -152.06 -110.75 133.59 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 61 H E E 19.92 18.38 20.82 39.44 124.42 -169.11 -120.86 136.50 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 62 I E E 30.41 14.07 23.86 38.59 117.92 -158.80 -111.16 126.12 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 63 V E E 8.55 22.06 19.85 42.04 121.97 -168.45 -115.49 131.78 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 64 K E E 66.31 11.00 26.19 37.47 117.25 -159.40 -107.74 125.33 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 65 L E E 7.50 24.00 17.62 41.78 126.94 -173.53 -122.92 140.55 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.01 66 N E E 60.63 9.12 25.60 35.04 124.39 -168.09 -119.30 136.82 2.47 97.52 0.01 2.20 0.15 0.01 0.00 0.00 0.00 97.53 0.10 67 A E E 11.09 20.83 13.05 33.63 134.05 170.97 -138.74 154.17 37.25 62.60 0.15 34.18 2.01 0.27 0.03 0.09 0.00 62.71 0.70 68 D C S 108.80 2.78 19.81 22.96 96.47 -138.51 -79.74 -18.65 94.16 5.28 0.56 36.41 52.98 4.69 0.12 0.37 0.00 5.08 0.35 69 K C C 100.47 6.03 17.72 24.63 117.57 50.73 -113.83 123.10 94.76 1.22 4.02 54.84 32.89 7.33 2.33 1.45 0.00 0.65 0.50 70 A H H 57.85 10.32 13.92 25.11 94.04 -145.54 -63.35 -33.35 33.15 0.37 66.47 12.13 8.16 13.75 56.13 9.41 0.03 0.18 0.20 71 D H H 100.35 2.19 20.87 22.45 92.34 61.51 -66.11 -32.55 25.84 0.30 73.85 7.74 4.77 13.56 65.73 7.82 0.06 0.16 0.15 72 S H H 14.47 15.76 16.39 32.74 92.75 53.24 -68.08 -35.82 18.30 0.33 81.37 9.29 2.89 6.78 73.08 7.63 0.02 0.19 0.12 73 I H H 16.87 21.01 15.65 36.28 92.06 54.75 -63.21 -42.72 4.23 0.06 95.72 2.19 0.67 1.50 94.05 1.54 0.00 0.03 0.01 74 N H H 88.14 3.35 23.40 26.33 91.66 51.20 -63.98 -40.51 2.20 0.03 97.77 0.94 0.29 0.96 97.00 0.80 0.00 0.01 0.01 75 E H H 79.63 6.41 22.00 28.82 91.85 50.39 -64.60 -41.51 1.63 0.02 98.36 0.54 0.18 0.83 97.81 0.63 0.00 0.01 0.00 76 F H H 6.45 24.60 15.72 40.56 91.73 50.24 -64.52 -42.85 1.07 0.01 98.92 0.29 0.12 0.56 98.56 0.45 0.00 0.00 0.00 77 D H H 54.44 13.94 19.13 32.59 91.52 52.45 -62.55 -40.73 1.49 0.01 98.50 0.36 0.14 0.85 98.03 0.61 0.00 0.01 0.00 78 R H H 153.93 1.68 22.53 22.90 91.96 50.64 -65.45 -39.78 3.07 0.02 96.91 0.36 0.21 2.31 96.02 1.09 0.01 0.01 0.00 79 L H H 49.23 13.33 18.28 31.79 92.55 49.92 -68.96 -36.02 5.51 0.03 94.46 0.42 0.40 4.50 93.55 1.10 0.01 0.01 0.01 80 A H H 11.34 22.30 13.33 34.97 95.01 55.86 -77.84 -15.51 35.96 0.64 63.40 4.29 3.84 27.81 61.02 2.35 0.09 0.28 0.32 81 K C T 136.94 4.10 21.92 26.64 98.54 -135.65 42.50 48.33 79.25 1.18 19.56 16.04 4.14 57.88 18.06 2.78 0.00 0.63 0.46 82 I C C 60.33 15.54 12.67 27.82 113.73 152.65 -92.25 122.33 88.06 4.33 7.61 64.86 15.97 6.43 6.31 1.96 0.00 1.93 2.53 83 S C C 48.50 7.79 15.72 24.59 127.76 101.91 -120.37 163.26 92.01 3.72 4.27 82.49 5.75 3.75 1.62 2.55 0.00 2.05 1.79 84 D C T 117.45 2.88 16.60 20.75 93.99 -113.99 -70.25 -15.86 92.61 2.19 5.20 5.41 21.09 66.52 0.65 4.34 0.00 1.46 0.53 85 D C T 71.36 9.62 16.69 26.90 96.19 63.66 -86.82 -3.38 90.76 5.08 4.16 10.33 12.67 67.58 0.36 4.05 0.00 4.61 0.41 86 I E E 23.95 20.76 12.91 33.46 113.46 98.15 -87.91 122.70 25.55 74.02 0.42 21.71 3.37 0.48 0.21 0.26 0.00 68.75 5.20 87 I E E 62.60 11.26 20.79 32.36 100.77 -172.04 -90.93 -31.95 24.83 75.00 0.17 21.87 2.26 0.25 0.06 0.09 0.00 74.91 0.56 88 R E E 84.32 10.69 22.45 33.24 135.52 -0.15 -145.54 146.10 18.02 81.71 0.27 15.95 1.38 0.27 0.08 0.13 0.00 81.91 0.28 89 H E E 47.10 20.97 15.81 35.59 128.64 -168.02 -132.41 139.61 16.94 82.76 0.31 15.41 1.04 0.19 0.10 0.12 0.00 82.92 0.22 90 M E E 64.03 10.31 22.90 33.75 125.74 -170.11 -125.01 135.84 10.46 89.41 0.13 9.57 0.56 0.10 0.04 0.05 0.00 89.54 0.14 91 V E E 41.76 17.86 16.60 34.05 120.23 -158.28 -110.82 128.57 5.07 94.90 0.03 5.05 0.13 0.02 0.01 0.01 0.00 94.67 0.12 92 I E E 59.94 10.08 19.17 30.32 123.01 -169.62 -118.68 134.71 4.95 95.03 0.02 5.02 0.12 0.01 0.01 0.01 0.00 94.63 0.20 93 K E E 101.58 10.08 15.12 25.99 115.60 -135.45 -88.36 131.96 14.12 85.76 0.12 13.17 0.77 0.12 0.05 0.06 0.00 85.32 0.52 94 E C C 97.88 8.90 11.53 21.51 109.21 -140.65 -85.71 128.39 74.14 24.25 1.61 55.83 12.30 4.26 0.36 1.20 0.00 25.27 0.77 95 E C C 141.77 2.28 12.22 15.79 111.92 -105.05 -88.47 131.81 90.05 8.51 1.44 83.23 2.53 4.21 0.31 0.97 0.00 8.07 0.68 96 A C C 72.25 5.84 11.38 18.79 110.02 -108.58 -79.03 133.53 99.86 0.11 0.02 99.74 0.09 0.07 0.01 0.00 0.00 0.07 0.01