# 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 103.17 7.90 15.02 23.85 112.74 -149.92 -87.64 128.32 99.90 0.09 0.00 99.89 0.04 0.01 0.00 0.00 0.00 0.05 0.00 1 R C C 105.51 10.16 14.78 25.70 118.85 -154.89 -101.38 135.39 59.49 40.46 0.05 58.33 0.65 0.14 0.01 0.03 0.00 40.01 0.84 2 T E E 58.11 10.11 18.49 29.26 121.50 -149.51 -107.28 137.38 22.71 77.26 0.03 20.56 1.32 0.10 0.01 0.03 0.00 77.57 0.42 3 Y E E 23.85 19.88 16.23 36.15 130.42 -171.43 -127.43 147.88 4.95 95.04 0.01 4.72 0.18 0.01 0.00 0.00 0.00 94.92 0.16 4 E E E 46.99 12.99 24.33 37.61 122.11 -150.46 -113.54 135.01 2.32 97.67 0.00 2.16 0.10 0.01 0.00 0.00 0.00 97.70 0.03 5 V E E 7.07 23.44 20.84 44.19 123.28 -164.18 -118.37 133.10 1.78 98.21 0.00 1.72 0.04 0.00 0.00 0.00 0.00 98.21 0.02 6 M E E 21.46 18.08 25.96 43.60 122.98 -163.38 -115.39 133.19 1.11 98.89 0.00 1.04 0.03 0.00 0.00 0.00 0.00 98.91 0.01 7 Y E E 8.11 24.23 24.52 48.06 124.82 -166.81 -120.38 135.08 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 8 I E E 11.73 20.85 27.42 47.57 116.84 -158.02 -107.57 124.40 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.72 0.01 9 V E E 5.14 23.94 21.28 45.07 130.66 -176.72 -126.70 148.36 2.02 97.98 0.00 2.01 0.04 0.00 0.00 0.00 0.00 97.67 0.28 10 R C C 57.38 13.18 21.85 35.34 112.32 -105.26 -71.20 135.49 86.65 13.34 0.01 87.05 0.46 0.01 0.00 0.00 0.00 12.23 0.24 11 P C T 53.00 13.50 16.22 30.24 92.86 -120.32 -62.01 -25.70 98.35 1.04 0.61 1.89 7.41 89.08 0.03 0.59 0.00 0.89 0.11 12 N C T 119.43 1.85 20.50 21.87 93.40 59.77 -86.71 2.71 99.19 0.29 0.52 2.41 7.50 89.29 0.03 0.53 0.00 0.21 0.05 13 I C C 28.69 18.90 7.96 25.73 117.87 115.28 -78.50 141.88 98.21 1.33 0.46 60.07 37.72 0.35 0.22 0.19 0.00 0.36 1.11 14 E C C 120.85 1.79 18.43 19.07 115.49 -104.99 -69.38 150.16 99.65 0.10 0.24 99.38 0.29 0.07 0.16 0.02 0.00 0.03 0.05 15 E H H 129.32 4.69 12.24 19.08 91.97 -111.12 -57.39 -40.01 2.07 0.00 97.92 0.36 0.24 1.20 97.50 0.69 0.00 0.00 0.00 16 D H H 112.28 0.93 17.15 16.37 92.26 51.97 -64.64 -38.60 1.24 0.00 98.76 0.15 0.09 0.84 98.05 0.86 0.00 0.00 0.00 17 A H H 36.04 8.13 15.19 25.05 92.15 49.14 -66.08 -40.08 0.57 0.00 99.43 0.11 0.05 0.32 98.82 0.70 0.00 0.00 0.00 18 K H H 46.11 17.49 14.00 30.99 91.50 52.08 -62.90 -42.57 0.38 0.00 99.62 0.08 0.03 0.18 99.55 0.16 0.00 0.00 0.00 19 K H H 117.05 3.71 21.29 25.33 91.46 50.62 -63.88 -41.11 0.42 0.00 99.58 0.07 0.02 0.21 99.63 0.07 0.00 0.00 0.00 20 A H H 47.47 3.20 22.09 24.91 91.40 50.49 -63.39 -42.05 0.52 0.00 99.48 0.05 0.02 0.34 99.51 0.07 0.00 0.00 0.00 21 L H H 15.29 18.64 18.67 37.41 91.73 49.69 -63.96 -42.92 0.43 0.00 99.57 0.05 0.02 0.26 99.62 0.04 0.00 0.00 0.00 22 V H H 20.69 18.81 19.22 37.68 91.41 50.27 -62.77 -42.96 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 23 E H H 116.77 2.31 24.59 25.94 91.36 50.53 -63.71 -41.58 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 24 R H H 105.80 7.12 23.03 30.41 91.78 49.50 -64.75 -41.47 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 25 F H H 5.36 25.29 17.75 43.06 91.61 49.12 -64.73 -42.58 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 26 N H H 57.12 14.30 20.82 34.43 91.25 52.01 -62.37 -40.73 0.24 0.00 99.76 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 27 G H H 36.36 2.53 24.32 25.52 92.12 50.88 -64.17 -41.71 0.77 0.00 99.23 0.04 0.03 0.56 99.31 0.05 0.00 0.00 0.00 28 I H H 27.83 13.36 20.19 34.32 92.09 49.71 -64.60 -43.23 0.97 0.00 99.03 0.06 0.06 0.70 99.08 0.09 0.00 0.00 0.00 29 L H H 5.05 24.81 13.96 38.96 91.97 49.72 -64.26 -41.92 1.59 0.02 98.38 0.24 0.16 1.06 98.18 0.33 0.00 0.01 0.01 30 A H H 64.44 6.45 18.61 25.96 91.97 51.85 -64.24 -40.10 2.42 0.02 97.56 0.38 0.15 1.77 96.45 1.22 0.00 0.01 0.00 31 T H H 106.62 1.46 19.98 20.58 91.01 53.99 -67.15 -27.01 11.42 0.03 88.54 0.27 0.36 11.46 86.74 1.11 0.03 0.01 0.02 32 E C T 65.44 13.22 14.78 28.50 94.71 50.37 -93.21 5.32 83.83 0.03 16.14 0.19 0.89 83.40 14.65 0.83 0.00 0.01 0.03 33 G C T 43.97 3.78 22.84 26.85 98.30 -99.44 90.02 10.63 99.90 0.01 0.09 0.47 0.80 98.69 0.02 0.01 0.00 0.00 0.00 34 A C C 7.21 24.14 9.81 33.27 121.36 137.10 -87.35 151.56 87.14 12.85 0.01 86.14 0.91 0.04 0.00 0.01 0.00 12.73 0.17 35 E E E 106.00 3.49 25.47 28.77 118.33 -139.33 -106.62 134.24 11.37 88.61 0.02 10.91 0.36 0.02 0.01 0.01 0.00 88.52 0.18 36 V E E 45.85 19.99 12.90 32.10 110.58 -127.57 -82.73 121.32 0.92 99.07 0.00 0.95 0.02 0.00 0.00 0.00 0.00 99.01 0.03 37 L E E 82.28 6.01 18.87 26.07 100.88 176.09 -93.83 -33.94 1.38 98.61 0.00 0.97 0.22 0.01 0.00 0.00 0.00 98.79 0.01 38 E E E 92.25 4.40 22.48 27.60 138.70 -1.88 -155.03 151.43 0.60 99.40 0.00 0.44 0.05 0.00 0.00 0.00 0.00 99.49 0.00 39 A E E 40.36 20.41 11.52 30.24 128.59 -168.73 -135.59 137.37 1.02 98.98 0.01 0.87 0.05 0.00 0.00 0.00 0.00 99.06 0.01 40 K E E 101.63 4.94 20.98 26.94 128.22 -175.52 -132.95 140.95 1.86 98.13 0.01 1.49 0.15 0.01 0.00 0.00 0.00 98.32 0.02 41 D E E 92.10 7.57 16.09 25.17 111.87 -122.26 -82.75 124.05 5.96 94.03 0.01 5.16 0.30 0.02 0.00 0.01 0.00 94.45 0.05 42 W E E 87.49 13.10 13.14 26.82 100.82 173.93 -100.98 -3.61 19.89 79.91 0.21 17.65 1.05 0.25 0.07 0.09 0.00 80.69 0.20 43 G E E 30.80 3.82 18.93 23.55 127.31 -123.95 93.28 -168.37 15.73 84.02 0.25 9.11 6.02 0.99 0.06 0.16 0.00 83.40 0.25 44 K E E 132.47 5.83 15.42 23.02 116.34 -36.96 -85.10 135.77 8.16 91.42 0.42 6.44 1.23 0.29 0.19 0.16 0.00 91.52 0.16 45 R E E 89.29 11.30 13.47 25.83 129.65 -177.35 -130.96 145.22 3.98 95.62 0.40 3.44 0.35 0.15 0.20 0.12 0.00 95.60 0.14 46 R E E 156.10 3.21 17.91 22.27 114.21 -122.52 -84.24 131.97 4.56 95.15 0.29 4.18 0.28 0.10 0.19 0.08 0.00 94.89 0.28 47 L E E 39.71 17.55 8.58 25.21 113.16 -126.10 -80.71 133.73 34.54 64.95 0.51 32.80 1.10 0.23 0.25 0.17 0.00 64.89 0.56 48 A C E 75.18 3.15 16.18 20.18 95.45 -149.14 -77.05 -22.93 62.08 37.70 0.22 22.95 36.14 2.55 0.03 0.20 0.00 37.76 0.38 49 Y C S 118.42 4.05 15.68 20.86 132.95 28.14 -138.84 156.86 56.76 43.06 0.18 10.06 44.46 2.28 0.02 0.15 0.00 42.54 0.49 50 E C C 126.13 4.58 13.78 20.09 114.35 -103.72 -79.97 133.51 54.19 45.38 0.43 50.45 2.66 0.49 0.12 0.29 0.00 44.31 1.68 51 I C C 52.44 13.34 8.62 22.10 118.96 -171.53 -123.53 122.35 51.79 47.04 1.17 45.77 3.74 1.36 0.46 0.82 0.00 33.51 14.34 52 N C T 125.44 2.04 14.20 16.75 98.76 -25.49 53.21 33.59 92.91 3.20 3.89 7.46 22.44 62.84 0.24 4.02 0.00 2.48 0.50 53 D C T 122.96 1.72 14.41 16.61 96.33 -42.18 43.52 14.12 92.74 3.62 3.64 7.74 22.26 62.26 0.17 4.09 0.00 3.07 0.40 54 F E E 66.68 12.44 10.98 24.23 119.39 106.28 -106.14 133.40 35.73 63.25 1.02 28.28 5.64 2.01 0.20 0.92 0.00 59.64 3.31 55 K E E 97.57 8.56 17.28 26.79 104.58 -169.12 -105.25 -9.46 28.36 71.55 0.09 22.76 4.33 0.59 0.02 0.07 0.00 71.71 0.52 56 D E E 58.89 9.30 21.34 31.10 128.90 30.37 -124.89 146.18 14.56 85.39 0.05 10.58 3.57 0.39 0.01 0.04 0.00 85.23 0.18 57 G E E 6.53 17.97 18.25 36.41 141.49 154.68 -160.71 174.29 5.73 94.26 0.01 4.61 0.78 0.05 0.00 0.01 0.00 94.49 0.06 58 F E E 33.31 14.67 22.81 38.23 128.30 -101.89 -126.87 144.37 0.90 99.10 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.13 0.02 59 Y E E 33.19 18.02 21.32 39.12 122.42 -152.77 -112.08 134.86 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 60 N E E 14.72 18.88 21.40 40.39 125.86 -169.21 -122.74 138.40 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 61 I E E 28.97 14.77 24.16 39.39 118.60 -159.71 -111.51 126.89 0.21 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 62 V E E 8.07 22.32 20.44 42.80 121.53 -167.87 -115.67 131.13 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 63 R E E 71.77 11.38 26.33 37.94 116.99 -159.99 -107.67 125.33 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 64 V E E 6.44 24.03 17.91 42.16 125.05 -171.05 -119.92 137.18 0.53 99.47 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.48 0.02 65 K E E 82.08 9.05 25.18 34.45 124.12 -167.60 -119.60 137.08 3.38 96.60 0.01 2.96 0.24 0.02 0.00 0.00 0.00 96.62 0.14 66 S E E 13.73 19.09 13.65 32.65 135.29 171.88 -140.82 158.18 43.66 56.08 0.26 38.53 3.53 0.55 0.07 0.18 0.00 56.36 0.79 67 D C S 107.67 2.98 19.46 22.80 97.17 -128.44 -78.31 -12.81 92.30 6.60 1.10 38.36 45.93 7.85 0.32 0.68 0.00 6.34 0.52 68 N C S 76.45 6.85 16.38 24.11 121.69 41.86 -112.69 135.00 88.13 1.17 10.69 34.18 37.79 16.75 6.70 3.44 0.00 0.57 0.57 69 N C H 97.32 8.38 14.38 23.81 95.34 -135.66 -68.28 -23.16 58.08 0.60 41.32 20.66 17.13 20.84 33.81 6.93 0.02 0.26 0.35 70 K H H 128.94 2.95 19.82 22.75 94.03 64.45 -70.96 -26.06 47.06 0.88 52.05 21.59 10.32 15.64 46.03 5.55 0.03 0.45 0.39 71 A H H 15.18 15.90 15.81 32.31 93.86 58.12 -68.99 -34.67 30.56 0.76 68.69 22.22 3.92 5.46 63.60 4.15 0.01 0.39 0.26 72 T H H 19.37 19.48 15.62 34.65 92.34 58.86 -63.36 -42.15 11.05 0.22 88.73 7.22 1.66 2.68 86.18 2.07 0.00 0.12 0.06 73 D H H 86.04 3.03 23.05 25.51 92.07 51.14 -64.36 -40.09 5.15 0.11 94.74 2.70 0.78 1.90 92.91 1.61 0.01 0.07 0.03 74 E H H 77.66 6.89 21.58 29.01 91.86 50.37 -64.81 -41.19 3.22 0.07 96.71 1.36 0.45 1.51 95.15 1.47 0.01 0.04 0.01 75 F H H 6.59 24.82 15.62 40.61 91.67 50.40 -64.78 -42.36 2.42 0.06 97.52 0.90 0.32 1.21 96.18 1.33 0.01 0.04 0.01 76 Q H H 70.30 13.66 19.69 32.77 91.41 52.66 -62.44 -40.75 3.02 0.06 96.92 0.91 0.33 1.68 95.49 1.52 0.01 0.04 0.01 77 R H H 148.77 1.83 23.31 23.80 91.90 50.84 -65.27 -39.45 5.86 0.07 94.07 0.97 0.51 4.16 92.07 2.21 0.01 0.05 0.02 78 L H H 42.66 13.77 18.77 32.75 92.65 50.03 -67.76 -35.28 9.39 0.11 90.50 1.22 0.86 7.10 88.49 2.20 0.03 0.07 0.04 79 A H H 9.99 22.75 13.24 35.40 94.29 59.11 -74.09 -21.14 35.29 1.47 63.24 7.99 4.60 23.00 59.64 3.32 0.10 0.78 0.57 80 K C T 128.70 5.07 21.06 26.87 98.98 85.78 -71.56 6.88 68.33 3.11 28.57 20.64 5.49 40.70 26.14 4.18 0.02 1.91 0.92 81 I C C 77.61 11.39 14.64 26.40 103.93 82.16 -86.67 39.58 79.13 5.41 15.46 45.14 21.52 11.87 13.39 3.02 0.02 2.68 2.35 82 S C C 43.95 9.83 14.40 25.20 124.71 72.42 -120.49 158.63 87.96 4.29 7.74 68.44 12.12 7.05 4.14 3.71 0.00 2.31 2.21 83 D C T 114.90 3.27 16.56 21.23 94.01 -118.23 -70.28 -15.77 85.35 1.14 13.51 7.09 17.58 61.12 3.58 9.42 0.01 0.65 0.54 84 D C T 68.58 10.37 16.92 27.72 96.50 63.86 -86.00 -5.83 83.98 3.66 12.35 11.77 12.68 59.79 2.83 9.32 0.01 2.98 0.62 85 I E E 22.44 20.98 13.55 34.26 113.52 93.77 -90.50 123.63 32.68 61.49 5.83 23.03 7.86 3.52 3.88 2.77 0.05 52.65 6.25 86 I E E 55.62 13.20 20.67 33.72 101.50 -159.03 -91.74 -32.33 29.62 67.18 3.20 22.89 5.25 1.89 2.01 1.20 0.01 65.56 1.20 87 R E E 81.26 11.78 22.63 34.14 136.46 -0.44 -143.68 147.08 22.68 74.12 3.20 18.43 2.76 1.39 1.59 1.16 0.00 74.19 0.47 88 Y E E 49.26 20.78 16.63 36.37 128.64 -164.36 -129.19 138.39 18.39 79.04 2.57 15.44 1.87 0.85 1.46 0.79 0.00 79.24 0.35 89 M E E 55.81 11.57 23.35 35.35 125.78 -170.30 -124.06 136.11 11.25 87.76 0.99 9.90 0.80 0.41 0.49 0.31 0.00 87.87 0.22 90 V E E 35.27 18.87 17.08 35.50 120.67 -158.18 -111.84 128.97 6.13 93.67 0.20 5.89 0.27 0.09 0.10 0.06 0.00 93.42 0.17 91 I E E 55.45 10.31 19.89 31.30 123.63 -170.59 -119.68 136.19 4.57 95.35 0.08 4.44 0.19 0.05 0.04 0.02 0.00 95.02 0.23 92 R E E 116.21 10.19 14.92 25.97 116.31 -136.23 -92.56 131.01 12.21 87.68 0.11 11.53 0.50 0.09 0.05 0.04 0.00 87.28 0.51 93 E C C 93.15 8.97 11.36 21.52 115.99 -148.51 -94.85 137.80 71.81 28.04 0.14 70.11 0.69 0.21 0.03 0.07 0.00 28.47 0.41 94 D C C 118.01 2.02 14.97 17.78 108.68 -112.45 -78.40 120.29 99.79 0.20 0.01 99.73 0.08 0.03 0.00 0.00 0.00 0.15 0.00