# 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 117.92 5.31 12.10 18.88 116.23 -160.61 -94.02 136.04 99.94 0.06 0.00 99.92 0.04 0.01 0.00 0.00 0.00 0.03 0.00 1 S C C 82.94 3.17 10.22 15.36 116.23 -152.75 -96.96 136.96 93.16 6.50 0.34 91.06 1.36 1.25 0.11 0.15 0.00 3.52 2.54 2 L C C 104.67 4.77 9.87 16.66 117.76 -140.91 -99.39 133.80 91.67 8.07 0.26 65.59 25.27 1.16 0.08 0.20 0.00 5.85 1.84 3 P C C 85.45 5.27 12.25 19.28 113.38 -108.55 -66.60 146.60 91.85 7.54 0.61 78.17 10.48 3.16 0.16 0.48 0.00 5.83 1.72 4 L C C 96.20 8.59 11.39 21.08 114.12 -135.79 -93.21 130.35 88.92 10.19 0.89 69.31 16.72 2.45 0.40 0.54 0.00 4.25 6.35 5 N C C 86.01 5.75 15.58 22.64 109.57 -143.81 -106.23 107.45 97.65 1.87 0.49 85.29 11.69 0.86 0.29 0.17 0.00 0.97 0.75 6 P C C 47.23 14.79 11.97 27.09 94.47 -165.11 -66.68 -21.76 66.40 0.99 32.61 44.33 11.33 9.25 31.32 2.83 0.00 0.40 0.53 7 K H H 107.94 8.04 15.17 24.32 93.12 70.11 -62.57 -39.85 16.87 0.16 82.97 6.67 3.29 7.36 74.11 8.39 0.02 0.08 0.07 8 P H H 76.68 3.49 17.37 21.16 92.67 52.15 -66.07 -34.66 10.99 0.20 88.81 3.62 1.31 5.73 75.99 13.13 0.02 0.14 0.06 9 F H H 65.49 12.51 15.56 28.49 93.77 51.35 -69.07 -38.70 7.16 0.17 92.66 2.11 0.89 3.84 79.19 13.79 0.01 0.13 0.04 10 L H H 28.36 20.61 13.83 33.40 93.56 52.35 -67.36 -35.96 8.02 0.18 91.80 2.38 1.11 4.42 80.48 11.42 0.02 0.13 0.05 11 N H H 105.28 4.58 19.28 25.05 93.06 56.63 -65.72 -28.09 19.64 0.16 80.20 1.97 1.57 14.86 67.07 14.28 0.08 0.10 0.08 12 G H H 45.04 4.40 20.18 24.97 93.00 57.05 -73.70 -16.73 42.00 0.15 57.85 2.39 2.70 35.54 46.82 12.29 0.06 0.07 0.12 13 L C T 19.06 20.10 13.82 33.88 95.20 56.65 -93.04 -7.65 67.44 0.96 31.60 21.16 6.84 38.89 20.70 11.12 0.04 0.45 0.80 14 T C T 58.44 12.86 14.52 28.10 112.23 116.79 -63.30 133.71 97.42 1.21 1.37 1.89 2.31 93.67 0.45 0.42 0.00 0.49 0.76 15 G C T 49.22 3.65 20.34 24.70 94.24 18.41 83.34 -4.13 99.62 0.17 0.20 0.42 3.43 95.89 0.02 0.11 0.00 0.11 0.02 16 K C S 93.85 7.42 19.41 28.02 125.23 110.42 -101.21 149.04 98.44 1.54 0.02 43.15 55.45 0.15 0.00 0.01 0.00 1.09 0.13 17 P E E 65.66 9.39 20.86 30.56 114.15 -103.30 -68.04 142.71 26.54 73.45 0.01 27.47 0.28 0.01 0.00 0.00 0.00 70.64 1.59 18 V E E 7.28 23.19 15.61 39.08 132.18 -175.31 -133.74 151.18 3.32 96.67 0.00 3.29 0.06 0.00 0.00 0.00 0.00 96.57 0.07 19 M E E 54.53 9.88 25.45 36.26 116.89 -132.08 -102.10 129.15 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 20 V E E 5.11 24.47 17.27 42.32 122.09 -168.67 -114.46 135.53 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 21 K E E 79.72 7.92 23.55 32.06 113.46 -145.84 -100.26 121.07 0.76 99.23 0.00 0.74 0.01 0.00 0.00 0.00 0.00 99.22 0.03 22 L C C 16.34 19.62 11.87 31.48 123.43 -152.84 -88.82 163.58 50.90 48.91 0.20 50.56 0.51 0.11 0.03 0.10 0.00 48.05 0.64 23 K C T 129.87 5.40 15.79 22.42 93.36 -100.15 -63.45 -24.28 90.78 1.73 7.49 0.93 3.65 86.30 0.16 7.52 0.00 1.24 0.19 24 W C T 157.14 4.24 14.64 20.02 93.78 54.66 -86.09 3.06 92.27 0.19 7.54 0.44 2.56 88.89 0.12 7.85 0.00 0.10 0.05 25 G C S 46.21 3.63 16.43 20.96 97.57 -99.21 88.37 4.63 94.80 0.68 4.51 13.28 68.03 12.94 0.21 4.89 0.00 0.43 0.22 26 M C C 52.84 12.01 13.87 27.24 118.51 134.31 -81.50 143.63 86.09 13.88 0.03 85.84 0.65 0.08 0.00 0.01 0.00 13.10 0.32 27 E E E 72.69 11.31 20.20 32.08 124.04 -155.72 -116.65 137.73 0.78 99.21 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.23 0.03 28 Y E E 16.47 21.56 18.16 39.84 128.51 -172.05 -127.82 143.57 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 29 K E E 75.46 11.31 25.79 37.16 124.56 -159.06 -116.89 137.76 0.17 99.83 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 30 G E E 4.63 18.03 22.38 40.76 145.24 125.58 -169.04 -176.83 0.77 99.23 0.00 0.60 0.04 0.00 0.00 0.00 0.00 99.36 0.00 31 Y E E 66.14 10.75 26.52 38.43 124.11 -77.51 -115.20 140.70 0.99 99.01 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.09 0.02 32 L E E 7.87 24.45 16.52 41.89 109.32 -112.60 -73.69 125.87 2.06 97.94 0.00 1.99 0.04 0.00 0.00 0.00 0.00 97.88 0.08 33 V E E 57.29 8.47 23.64 33.03 101.23 174.32 -99.38 -29.91 3.59 96.40 0.01 2.61 0.72 0.03 0.00 0.01 0.00 96.58 0.04 34 S E E 42.23 6.66 25.33 32.99 142.32 -2.79 -158.28 155.21 2.41 97.58 0.01 1.84 0.38 0.02 0.00 0.01 0.00 97.71 0.04 35 V E E 34.75 21.68 12.21 32.74 129.50 -167.57 -137.69 138.44 3.58 96.40 0.02 3.30 0.24 0.02 0.00 0.01 0.00 95.66 0.76 36 D C C 64.02 5.74 19.74 25.90 125.04 -161.64 -106.59 170.90 69.50 30.38 0.13 66.08 1.70 0.39 0.02 0.09 0.00 30.84 0.89 37 G C T 52.76 4.75 15.97 22.08 92.96 -91.46 -61.37 -17.32 97.88 0.38 1.73 1.22 11.23 85.24 0.05 1.90 0.00 0.26 0.10 38 Y C T 133.22 4.98 17.90 23.57 96.70 52.02 -94.33 2.46 98.26 0.20 1.55 1.30 11.00 85.81 0.06 1.65 0.00 0.12 0.07 39 M C S 46.28 16.52 15.57 31.91 94.66 -107.36 69.41 26.42 92.93 5.19 1.88 30.97 36.09 25.87 0.15 2.11 0.00 3.87 0.94 40 N C C 45.80 9.55 22.57 33.16 115.97 149.28 -85.07 137.11 77.77 22.15 0.08 72.27 2.12 1.82 0.01 0.07 0.00 22.85 0.85 41 M E E 8.27 24.73 17.60 42.52 123.57 -163.59 -117.14 135.11 2.10 97.90 0.00 2.08 0.05 0.00 0.00 0.00 0.00 97.80 0.07 42 Q E E 48.55 11.10 27.39 39.16 121.73 -165.24 -114.59 132.65 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 43 L E E 6.65 24.73 17.61 42.72 120.21 -157.38 -110.66 130.20 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 44 A E E 30.97 9.19 23.24 33.16 128.81 -172.37 -122.01 156.74 3.16 96.84 0.00 1.85 0.80 0.08 0.00 0.00 0.00 97.26 0.01 45 N E E 91.72 4.62 24.02 29.12 93.83 9.52 59.19 44.80 4.76 95.24 0.00 2.71 1.27 0.11 0.00 0.00 0.00 95.88 0.01 46 T E E 11.43 22.63 13.33 35.74 119.34 155.58 -85.88 142.37 2.44 97.56 0.00 2.27 0.05 0.00 0.00 0.00 0.00 97.66 0.01 47 E E E 63.10 8.75 24.07 33.36 125.50 -163.09 -121.43 140.86 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 48 E E E 37.52 16.21 15.98 32.74 120.66 -150.65 -109.84 133.24 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 49 Y E E 82.59 8.75 16.15 26.58 120.88 -160.85 -114.49 132.67 0.54 99.45 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 50 I E E 66.13 9.63 10.79 21.94 118.32 -173.14 -128.74 118.12 4.34 95.64 0.02 2.88 0.88 0.18 0.00 0.02 0.00 95.85 0.18 51 D C T 131.21 0.96 12.94 13.47 92.82 -18.08 52.15 42.61 99.70 0.19 0.11 0.46 3.79 95.50 0.00 0.10 0.00 0.14 0.02 52 G C T 61.79 1.63 11.76 14.04 94.84 -49.90 80.46 2.43 99.85 0.06 0.09 0.52 4.02 95.32 0.00 0.08 0.00 0.04 0.01 53 A E E 69.66 2.50 13.23 17.19 123.73 104.20 -111.26 142.58 6.49 93.48 0.02 3.30 3.07 0.31 0.00 0.02 0.00 92.64 0.66 54 L E E 88.84 9.29 10.23 20.83 111.82 -112.74 -74.45 129.48 3.49 96.50 0.01 2.91 0.27 0.03 0.00 0.00 0.00 96.68 0.09 55 S E E 59.23 6.06 14.67 22.13 107.96 177.25 -111.31 0.86 10.15 89.83 0.02 8.03 1.21 0.18 0.00 0.02 0.00 90.48 0.08 56 G E E 34.91 3.94 18.25 22.97 134.95 -64.34 138.92 -169.96 7.33 92.64 0.03 4.62 1.92 0.30 0.00 0.02 0.00 93.05 0.08 57 H E E 118.52 7.46 15.47 24.38 117.58 -79.51 -102.27 131.29 8.14 91.84 0.01 7.32 0.61 0.05 0.00 0.01 0.00 91.77 0.24 58 L E E 58.71 13.60 13.94 27.92 101.93 -172.90 -99.89 -3.01 13.63 86.35 0.02 12.60 0.64 0.05 0.00 0.01 0.00 86.39 0.29 59 G E E 29.26 5.50 20.19 26.40 124.66 -129.04 92.20 -158.87 17.17 82.81 0.01 7.12 9.40 0.28 0.00 0.01 0.00 83.12 0.07 60 E E E 102.90 8.47 18.14 27.39 118.97 -21.94 -93.63 135.35 5.50 94.49 0.00 4.50 0.64 0.02 0.00 0.00 0.00 94.79 0.03 61 V E E 26.56 18.46 15.51 34.26 126.17 -171.02 -127.34 135.46 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 62 L E E 80.54 8.51 22.90 32.03 115.56 -147.91 -99.41 125.51 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.68 0.02 63 I E E 15.82 21.43 15.63 37.13 127.61 -174.03 -125.32 140.44 6.35 93.65 0.01 6.35 0.09 0.01 0.00 0.00 0.00 93.33 0.22 64 R C C 106.43 5.82 23.30 29.21 111.50 -116.32 -74.34 134.27 69.25 30.60 0.15 63.81 3.93 0.22 0.02 0.13 0.00 31.50 0.37 65 C H G 32.20 19.06 12.75 31.42 93.50 -131.78 -65.28 -28.86 20.13 2.22 77.66 6.75 4.83 7.76 0.97 77.70 0.00 1.90 0.10 66 N H G 111.20 2.91 20.43 23.83 91.29 67.72 -69.75 -18.22 16.87 1.52 81.60 1.96 2.98 10.62 0.73 82.42 0.00 1.21 0.07 67 N H G 66.92 9.25 17.28 27.59 97.85 50.95 -99.54 1.62 16.17 2.03 81.80 3.55 2.87 8.58 0.91 82.17 0.00 1.85 0.07 68 V E E 20.95 21.87 10.50 31.69 111.68 102.59 -84.87 120.26 7.94 91.70 0.36 7.83 0.44 0.06 0.25 0.10 0.00 90.65 0.66 69 L E E 90.77 4.69 20.10 25.74 100.30 177.16 -94.41 -34.21 8.00 91.73 0.27 4.58 3.20 0.12 0.12 0.06 0.00 91.88 0.04 70 Y E E 105.42 5.18 22.08 28.20 138.01 0.04 -152.88 149.35 0.54 99.36 0.10 0.43 0.04 0.01 0.03 0.01 0.00 99.46 0.01 71 I E E 49.90 20.86 13.18 32.87 123.97 -161.29 -127.31 129.11 0.44 99.52 0.04 0.40 0.01 0.00 0.03 0.00 0.00 99.53 0.01 72 R E E 110.49 5.76 21.62 28.27 128.11 -177.08 -131.41 146.50 6.78 92.98 0.23 5.89 0.50 0.09 0.19 0.05 0.00 93.12 0.16 73 G C E 31.64 11.69 16.17 27.86 123.31 -129.10 -93.06 162.87 51.89 46.86 1.26 38.84 10.64 1.39 0.68 0.56 0.00 47.32 0.56 74 V C C 53.62 12.56 13.32 26.41 115.48 -114.16 -96.16 135.28 75.70 9.42 14.89 64.74 6.92 3.70 10.39 4.63 0.00 8.34 1.28 75 E C C 122.82 4.18 16.11 21.12 106.58 -139.26 -81.62 99.52 54.90 3.21 41.89 35.79 10.68 8.61 30.79 11.16 0.02 2.09 0.87 76 E H H 112.87 5.09 13.63 19.93 109.76 -89.32 -87.77 131.56 45.00 2.88 52.13 28.55 8.34 8.84 38.93 12.61 0.03 1.90 0.79 77 E H H 99.39 7.73 11.52 20.44 109.39 -137.04 -87.04 124.88 41.20 2.88 55.92 27.99 6.86 7.32 43.08 12.04 0.02 1.89 0.80 78 E H H 105.89 5.94 11.64 19.05 108.25 -141.50 -85.74 119.03 42.47 2.47 55.05 27.28 7.42 9.09 44.65 9.22 0.03 1.54 0.77 79 E H H 129.33 3.43 11.74 16.63 104.75 -116.89 -79.02 22.92 48.05 2.20 49.75 23.29 10.72 15.66 40.51 7.65 0.08 1.29 0.81 80 D C T 97.50 3.75 11.95 16.97 101.88 48.68 -83.92 10.62 66.43 1.10 32.47 23.81 15.60 27.76 25.47 6.22 0.04 0.48 0.62 81 G C T 41.19 6.36 11.00 18.79 102.24 -113.30 49.61 -2.68 73.22 1.08 25.70 22.83 17.68 33.46 12.34 12.52 0.02 0.50 0.66 82 E C C 114.91 4.13 11.95 17.59 102.13 94.24 -81.60 3.63 66.03 3.45 30.52 27.60 16.37 23.35 11.17 18.11 0.03 1.94 1.42 83 M C C 98.99 7.28 9.06 17.71 108.00 75.69 -87.13 100.53 62.90 8.54 28.57 34.48 12.48 17.19 11.04 16.51 0.06 5.23 3.02 84 R C C 147.99 4.16 9.85 15.85 111.82 74.36 -90.71 127.24 77.31 4.78 17.91 65.26 3.45 9.49 9.16 7.51 0.00 3.09 2.04 85 E C C 141.35 2.61 12.55 16.59 106.60 -115.52 -82.08 112.70 99.84 0.07 0.09 99.65 0.11 0.14 0.05 0.01 0.00 0.03 0.01