# 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 120.79 4.98 12.97 19.75 115.66 -157.10 -99.24 126.88 99.85 0.14 0.01 99.83 0.06 0.03 0.00 0.00 0.00 0.07 0.01 1 A C C 64.26 6.98 10.91 19.47 119.83 -172.13 -108.89 140.76 92.36 7.33 0.31 91.47 0.59 0.88 0.07 0.13 0.00 5.88 0.97 2 N C C 109.30 3.56 15.03 19.84 113.85 -144.15 -95.53 123.95 82.01 17.68 0.31 65.72 13.24 2.07 0.05 0.32 0.00 17.53 1.07 3 I C C 45.18 18.64 10.65 28.41 120.95 -159.21 -108.10 131.71 60.73 39.16 0.11 57.00 2.82 0.19 0.03 0.08 0.00 37.08 2.79 4 R E E 131.54 4.52 22.41 27.57 119.34 -167.36 -118.42 126.00 42.60 57.35 0.04 42.04 0.96 0.05 0.02 0.03 0.00 54.50 2.41 5 P E E 38.85 18.73 12.84 30.99 114.58 -120.90 -69.68 143.17 39.63 60.06 0.31 38.71 0.96 0.23 0.14 0.18 0.00 50.04 9.74 6 L C C 75.62 9.11 18.21 28.04 113.14 -158.32 -102.27 124.88 89.36 8.61 2.03 68.37 15.72 4.87 0.31 2.15 0.00 6.42 2.16 7 H C S 93.59 6.82 20.29 27.32 117.46 -9.07 68.71 -133.61 91.68 5.98 2.34 5.84 44.94 41.19 0.17 2.20 0.00 4.73 0.95 8 D C S 71.31 11.72 18.71 30.53 99.84 -56.05 -77.19 46.00 93.72 4.40 1.88 12.23 41.85 39.52 0.12 2.01 0.00 3.83 0.44 9 R C E 59.47 14.69 21.39 36.15 133.00 112.49 -121.96 153.72 52.32 47.31 0.37 35.16 17.50 1.27 0.06 0.37 0.00 43.56 2.08 10 V E E 6.67 23.12 21.77 45.01 120.79 -141.35 -109.68 132.16 11.89 88.09 0.02 11.54 0.31 0.02 0.01 0.01 0.00 87.47 0.65 11 I E E 13.31 19.30 25.74 44.86 116.67 -151.10 -102.39 126.95 1.18 98.81 0.01 1.10 0.04 0.00 0.00 0.00 0.00 98.79 0.06 12 V E E 5.93 24.24 19.90 44.02 126.07 -170.15 -120.21 138.53 0.75 99.24 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.25 0.02 13 K E E 85.22 9.86 23.96 33.72 119.86 -148.58 -103.44 135.36 1.82 98.15 0.03 1.57 0.11 0.01 0.01 0.01 0.00 98.24 0.04 14 R E E 81.54 16.07 14.33 29.95 113.65 -120.85 -77.32 132.76 12.15 87.43 0.42 11.18 0.69 0.19 0.17 0.16 0.00 87.19 0.42 15 K C C 110.75 6.72 15.99 23.83 105.85 -159.93 -89.04 -3.69 62.05 35.60 2.36 50.60 8.67 1.90 0.72 1.26 0.00 36.00 0.86 16 E C C 124.19 3.36 15.87 20.27 123.40 -35.59 -117.22 139.47 69.96 26.42 3.61 59.50 7.68 2.22 1.29 2.02 0.00 25.50 1.78 17 V C C 71.69 10.95 9.76 21.45 119.40 -150.00 -107.81 133.14 71.90 23.30 4.80 64.47 4.90 2.01 2.19 2.33 0.00 21.22 2.87 18 E C C 115.97 4.29 12.64 18.68 117.36 -151.90 -101.09 135.55 73.44 22.48 4.08 63.77 6.90 2.33 2.09 1.95 0.01 20.50 2.46 19 T C C 85.57 5.47 10.48 17.89 119.59 -153.30 -105.65 136.48 68.64 27.59 3.76 59.17 6.77 2.24 2.10 1.71 0.01 24.95 3.04 20 K C C 135.44 3.61 10.13 15.78 118.33 -157.28 -107.81 135.39 55.81 40.89 3.30 44.99 6.98 2.15 2.30 1.51 0.04 27.40 14.63 21 S C C 70.31 3.59 8.27 13.73 120.76 -146.74 -101.48 156.66 79.23 18.67 2.11 66.49 8.60 3.31 1.05 1.17 0.00 13.58 5.80 22 A C T 100.97 0.79 9.09 10.05 101.39 -90.96 -69.44 3.85 92.72 4.21 3.07 7.10 12.48 73.18 0.82 2.12 0.01 3.31 0.98 23 G C T 61.62 1.07 9.78 11.20 100.45 29.90 -74.11 1.02 96.17 1.07 2.75 5.11 13.43 77.64 0.53 2.19 0.00 0.82 0.28 24 G C S 46.21 3.96 10.03 15.61 112.07 -99.41 92.13 19.16 86.84 10.55 2.61 26.44 53.56 7.61 0.58 1.86 0.00 7.38 2.56 25 I C C 99.15 5.01 10.07 16.95 116.85 134.57 -96.92 132.94 66.48 31.74 1.77 45.38 18.69 2.95 1.12 0.91 0.01 23.52 7.41 26 V E E 79.67 6.31 11.28 19.48 115.08 -144.98 -99.13 128.21 39.61 57.69 2.70 27.74 8.08 2.71 1.97 1.14 0.05 38.83 19.48 27 L C C 92.94 6.77 11.93 20.24 109.47 -150.81 -89.31 120.86 67.74 28.03 4.23 48.79 12.47 5.61 2.78 1.74 0.01 25.15 3.44 28 T C C 84.80 4.94 13.28 19.47 115.46 -73.90 -97.20 137.49 76.58 12.86 10.56 37.85 22.94 16.92 6.72 3.66 0.06 9.20 2.65 29 G C T 43.94 5.56 13.86 20.44 105.98 14.22 12.86 -36.63 69.00 4.44 26.56 21.09 24.52 25.13 16.07 8.85 0.17 2.33 1.83 30 S C C 65.98 5.13 14.81 20.87 100.57 57.54 -78.67 -20.49 57.23 5.22 37.55 24.39 15.13 19.49 22.81 13.08 0.20 2.81 2.09 31 A C H 46.22 10.18 12.35 23.37 97.79 65.82 -72.81 -24.48 47.21 6.30 46.49 23.40 10.57 14.95 27.24 17.72 0.21 3.74 2.17 32 A C H 55.84 8.79 13.35 23.09 98.86 68.72 -74.02 -23.31 47.82 5.87 46.30 21.65 10.82 16.99 27.42 17.37 0.22 3.54 2.00 33 A C C 72.70 4.51 15.63 21.07 100.37 61.78 -80.05 -11.35 55.85 4.87 39.29 23.22 13.66 20.75 22.62 14.97 0.19 2.83 1.77 34 K C C 116.47 6.91 16.40 24.23 110.76 70.79 -91.10 103.14 73.14 5.02 21.84 39.27 20.90 14.02 13.58 7.49 0.05 2.95 1.74 35 S C C 48.42 12.27 15.98 28.36 114.85 -135.71 -93.27 132.39 83.56 11.62 4.82 60.75 15.31 7.46 1.90 2.68 0.00 10.26 1.63 36 T C E 35.62 15.75 18.00 33.71 121.57 -160.96 -109.90 135.21 50.74 48.05 1.22 39.49 8.87 2.53 0.36 0.87 0.00 46.01 1.87 37 R E E 98.57 12.16 22.53 34.36 128.41 -163.08 -116.72 144.13 20.79 79.04 0.17 16.98 3.67 0.52 0.05 0.13 0.00 77.54 1.11 38 G E E 7.94 17.69 20.26 37.74 144.11 155.41 -156.62 174.22 6.09 93.90 0.01 4.57 1.31 0.07 0.00 0.01 0.00 93.90 0.13 39 E E E 78.59 8.53 25.98 35.38 122.58 -88.67 -110.17 138.35 0.90 99.10 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.14 0.03 40 V E E 11.00 23.87 16.19 40.68 109.95 -118.52 -77.53 124.19 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 41 L E E 54.40 10.18 24.03 35.10 99.97 175.48 -95.05 -33.46 0.54 99.46 0.00 0.36 0.08 0.00 0.00 0.00 0.00 99.55 0.00 42 A E E 29.04 10.84 25.65 37.39 141.55 -1.42 -157.38 151.47 0.74 99.26 0.00 0.51 0.10 0.01 0.00 0.00 0.00 99.36 0.01 43 V E E 28.87 21.96 17.03 37.84 124.98 -160.96 -125.98 134.11 4.68 95.29 0.03 4.02 0.47 0.06 0.00 0.02 0.00 95.12 0.31 44 G C C 14.83 13.16 19.04 32.74 125.64 -134.03 -83.89 174.98 62.62 37.24 0.14 44.34 15.85 1.62 0.01 0.15 0.00 37.38 0.64 45 N C C 106.80 4.34 22.51 27.22 101.81 -81.59 -78.88 24.51 78.78 20.98 0.24 39.39 34.79 4.00 0.02 0.28 0.00 20.78 0.74 46 G C C 15.20 17.71 13.11 30.03 124.16 -138.81 -45.98 169.98 63.70 36.10 0.21 46.29 14.03 2.23 0.02 0.24 0.00 36.39 0.79 47 R E E 110.31 6.91 19.32 27.24 126.88 -124.48 -122.45 148.59 10.30 89.65 0.06 8.83 1.37 0.15 0.01 0.04 0.00 88.50 1.10 48 I E E 83.19 8.39 13.26 23.28 115.79 -126.29 -93.65 129.61 2.28 97.70 0.02 2.13 0.12 0.01 0.02 0.01 0.00 87.58 10.13 49 L C C 55.49 8.50 9.17 19.48 121.82 -141.33 -85.48 165.25 91.89 8.07 0.04 92.60 0.34 0.06 0.00 0.01 0.00 6.29 0.69 50 E C T 167.40 0.85 10.54 11.66 92.53 -97.92 -63.07 -24.95 98.05 1.12 0.83 0.75 3.51 93.92 0.02 0.82 0.00 0.86 0.11 51 N C T 128.29 0.80 11.05 11.40 94.45 52.88 -87.04 1.63 99.14 0.10 0.76 0.28 2.85 96.02 0.01 0.77 0.00 0.05 0.02 52 G C S 44.07 5.01 10.22 17.03 96.77 -102.30 85.45 5.31 99.07 0.33 0.59 10.85 86.23 2.18 0.03 0.43 0.00 0.17 0.12 53 E C C 107.77 2.62 14.28 17.99 118.08 134.52 -82.75 143.88 97.42 2.56 0.02 93.86 3.66 0.15 0.00 0.02 0.00 1.98 0.34 54 V E E 65.69 12.56 10.09 23.16 116.01 -127.98 -94.47 130.07 3.33 96.66 0.01 3.16 0.17 0.01 0.01 0.00 0.00 82.49 14.15 55 K E E 98.60 5.72 17.23 24.34 125.00 -174.26 -122.28 142.33 17.49 82.50 0.01 16.52 0.63 0.03 0.00 0.01 0.00 82.32 0.49 56 P E E 82.24 7.27 16.69 25.24 115.01 -104.59 -65.72 144.93 34.88 65.03 0.09 31.90 2.11 0.21 0.03 0.07 0.00 62.23 3.45 57 L C C 28.45 20.00 11.37 30.77 116.59 -127.25 -89.05 136.57 94.59 5.33 0.09 86.43 7.82 0.52 0.01 0.09 0.00 4.56 0.57 58 D C C 104.34 2.79 23.74 26.40 102.62 -132.38 -86.48 57.23 95.23 4.72 0.05 86.63 8.47 0.47 0.01 0.06 0.00 3.21 1.15 59 V C C 9.62 24.53 10.70 34.73 123.45 146.35 -103.78 143.20 84.22 15.75 0.03 84.49 1.20 0.03 0.01 0.01 0.00 5.33 8.92 60 K C C 114.32 3.38 24.55 28.07 128.58 -159.88 -119.19 156.53 85.56 14.40 0.04 87.31 0.68 0.04 0.02 0.01 0.00 5.55 6.38 61 V C T 76.83 12.16 15.40 27.91 109.96 -81.65 -59.56 134.73 99.30 0.60 0.11 0.14 1.25 98.23 0.00 0.06 0.00 0.26 0.05 62 G C T 37.86 5.45 20.42 26.96 96.39 26.01 89.68 -6.95 99.86 0.11 0.03 0.20 1.46 98.24 0.00 0.02 0.00 0.09 0.00 63 D C C 28.17 14.83 17.33 33.40 117.96 135.44 -70.28 146.48 98.15 1.85 0.00 97.83 0.54 0.01 0.00 0.00 0.00 1.57 0.05 64 I E E 46.08 13.03 24.20 37.71 118.27 -133.70 -103.52 130.02 0.48 99.52 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.26 0.19 65 V E E 3.57 25.16 20.49 45.93 124.17 -169.41 -120.52 135.43 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 66 I E E 27.03 14.81 26.74 42.04 116.45 -151.79 -105.04 126.38 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 67 F E E 11.83 23.31 17.42 40.73 119.93 -160.75 -106.03 136.77 10.68 89.31 0.01 10.25 0.32 0.01 0.00 0.01 0.00 89.17 0.24 68 N C C 64.57 10.05 20.41 30.64 112.94 -132.61 -81.17 152.82 82.41 16.86 0.73 65.95 12.57 2.53 0.12 0.70 0.00 17.29 0.85 69 D C T 98.82 5.85 18.63 25.43 105.40 -82.65 -69.21 108.20 85.02 2.77 12.21 10.43 23.41 51.48 1.42 10.48 0.01 1.68 1.07 70 G C T 41.21 7.93 17.62 26.12 100.41 33.35 81.12 -4.92 85.80 1.91 12.29 11.34 19.42 54.72 1.52 11.03 0.01 1.11 0.84 71 Y C T 92.04 13.48 15.45 28.72 105.35 85.49 -90.09 18.32 79.12 7.04 13.85 23.85 23.98 32.32 1.98 11.35 0.04 3.90 2.59 72 G C C 30.60 9.86 19.70 29.86 101.09 20.10 82.61 9.22 86.50 10.33 3.17 41.74 21.75 23.37 0.41 3.09 0.00 8.35 1.29 73 V C C 38.83 20.29 11.95 30.86 117.53 134.68 -89.01 139.59 64.27 35.28 0.45 54.68 6.69 1.20 0.08 0.36 0.00 36.24 0.74 74 K E E 114.57 4.46 21.73 27.00 125.36 -164.89 -116.26 147.03 11.48 88.38 0.14 10.09 1.15 0.22 0.05 0.08 0.00 87.89 0.52 75 S E E 61.61 11.72 14.13 26.36 119.08 -126.26 -91.98 140.09 4.15 95.83 0.03 3.78 0.20 0.02 0.01 0.01 0.00 95.90 0.08 76 E E E 65.97 9.28 14.54 25.48 132.69 -172.24 -135.39 154.83 2.62 97.36 0.02 2.22 0.20 0.02 0.00 0.01 0.00 97.52 0.03 77 K E E 138.66 3.41 15.25 20.33 115.72 -125.53 -96.17 129.35 5.24 94.72 0.04 4.25 0.55 0.08 0.00 0.02 0.00 95.03 0.07 78 I E E 43.14 15.10 8.65 23.37 119.43 176.77 -128.95 121.53 9.90 89.90 0.20 5.55 2.80 1.48 0.03 0.18 0.00 89.44 0.52 79 D C T 115.39 2.43 12.55 16.18 94.20 -18.60 51.99 39.88 99.28 0.47 0.25 0.69 6.55 92.08 0.00 0.26 0.00 0.36 0.04 80 N C T 143.47 0.67 13.00 12.82 94.58 -48.15 67.82 11.79 99.61 0.21 0.18 0.77 7.17 91.67 0.00 0.21 0.00 0.16 0.02 81 E E E 84.68 7.48 11.62 20.99 125.44 105.18 -112.77 144.66 6.37 93.61 0.01 4.29 1.56 0.11 0.00 0.01 0.00 93.85 0.17 82 E E E 95.71 7.01 17.04 25.31 113.40 -122.35 -85.84 128.17 1.91 98.09 0.00 1.68 0.05 0.00 0.00 0.00 0.00 98.26 0.01 83 V E E 14.80 18.89 15.49 34.91 130.52 -175.33 -127.98 147.71 0.33 99.67 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 84 L E E 21.40 15.94 22.59 39.20 116.74 -131.11 -99.42 130.10 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 85 I E E 22.67 18.15 23.96 41.88 117.05 -156.15 -105.44 126.05 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 86 M E E 7.69 23.18 19.12 42.22 130.40 -175.28 -123.75 151.24 7.31 92.68 0.00 7.06 0.18 0.01 0.00 0.00 0.00 92.64 0.11 87 S E E 30.92 8.85 25.16 34.73 121.83 -121.23 -83.12 159.61 39.13 60.82 0.05 38.55 0.77 0.04 0.01 0.03 0.00 60.06 0.53 88 E H G 65.65 17.67 16.13 33.27 91.03 -109.86 -59.95 -32.54 5.07 0.23 94.70 0.65 0.69 3.10 0.68 94.66 0.00 0.21 0.01 89 S H G 74.65 3.78 23.14 27.74 90.03 64.51 -68.25 -18.38 4.65 0.20 95.15 0.27 0.50 3.35 0.47 95.24 0.00 0.16 0.01 90 D H G 23.40 18.11 18.36 36.79 94.11 56.23 -91.00 -6.22 5.74 0.23 94.02 0.72 0.72 3.29 0.36 94.70 0.00 0.20 0.01 91 I E E 9.61 24.51 16.06 41.04 111.50 98.90 -80.83 122.62 9.46 90.47 0.07 9.17 0.55 0.04 0.02 0.04 0.00 89.39 0.78 92 L E E 54.97 11.08 23.50 35.08 99.79 177.51 -94.30 -32.52 6.68 93.30 0.02 4.04 2.66 0.08 0.00 0.01 0.00 93.17 0.04 93 A E E 22.22 11.63 24.50 37.07 144.88 -7.04 -163.70 157.65 0.36 99.64 0.00 0.30 0.03 0.00 0.00 0.00 0.00 99.66 0.01 94 I E E 42.75 19.22 18.03 36.41 121.98 -140.44 -119.12 131.07 0.26 99.74 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 95 V E E 35.31 13.81 16.70 31.56 118.92 -161.11 -110.39 127.62 3.35 96.65 0.01 3.06 0.14 0.01 0.00 0.00 0.00 96.65 0.13 96 E E E 117.20 5.64 16.04 23.24 117.43 -151.36 -97.55 135.20 37.63 62.32 0.05 35.81 0.61 0.11 0.01 0.03 0.00 63.04 0.38 97 A C C 62.32 8.75 13.92 23.52 112.12 -103.83 -73.34 141.45 99.84 0.16 0.00 99.80 0.07 0.02 0.00 0.00 0.00 0.11 0.00