# 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 115.70 5.88 11.78 19.13 118.15 -163.45 -103.74 135.43 99.91 0.09 0.01 99.89 0.04 0.02 0.00 0.00 0.00 0.04 0.01 1 S C C 76.66 3.85 10.12 15.86 115.51 -156.02 -98.06 138.47 94.35 4.54 1.10 89.79 1.08 4.01 0.29 0.53 0.00 3.20 1.11 2 F C C 145.81 4.18 9.33 15.45 112.09 -154.06 -95.66 119.54 92.03 7.11 0.86 61.62 23.67 6.79 0.17 0.84 0.00 5.22 1.69 3 V C C 97.51 3.86 11.49 17.26 118.22 -154.69 -102.49 131.48 89.42 10.35 0.22 59.89 29.56 0.82 0.07 0.17 0.00 7.71 1.78 4 P C C 83.51 6.72 11.56 20.01 114.03 -110.33 -66.43 144.18 88.02 11.49 0.49 79.72 6.95 1.42 0.16 0.32 0.00 8.66 2.76 5 V C C 83.78 8.08 11.84 21.32 115.17 -146.01 -99.79 131.51 88.50 10.87 0.63 73.44 13.47 1.33 0.32 0.32 0.00 4.77 6.35 6 N C C 93.08 5.22 15.89 22.37 108.97 -126.66 -96.56 106.06 97.78 1.61 0.60 86.73 10.36 0.90 0.40 0.17 0.00 0.86 0.57 7 P C C 40.50 15.77 12.10 28.01 95.11 -167.37 -69.20 -20.53 72.93 0.77 26.30 52.47 10.01 7.67 27.39 1.74 0.00 0.29 0.42 8 K H H 96.42 10.08 14.86 25.67 93.48 77.96 -61.21 -41.35 12.70 0.07 87.23 6.46 2.21 4.05 85.12 2.10 0.00 0.03 0.03 9 P H H 78.77 2.47 18.24 20.31 92.59 51.48 -64.33 -37.73 5.35 0.06 94.58 2.11 0.59 2.61 90.23 4.40 0.00 0.04 0.02 10 F H H 71.40 10.51 16.56 27.92 92.80 50.78 -65.87 -40.20 2.57 0.03 97.39 0.76 0.27 1.42 92.27 5.24 0.00 0.03 0.01 11 L H H 14.18 22.78 13.15 35.25 92.34 50.73 -65.87 -39.18 2.64 0.03 97.33 0.61 0.26 1.60 92.75 4.75 0.00 0.02 0.01 12 Q H H 112.40 5.47 18.92 25.78 92.04 57.12 -63.18 -33.97 8.65 0.04 91.31 0.70 0.50 7.00 83.20 8.55 0.02 0.02 0.02 13 G H H 48.76 2.92 20.82 23.56 91.92 58.10 -71.46 -19.23 34.27 0.05 65.68 0.98 1.14 32.29 59.06 6.45 0.03 0.02 0.04 14 L C T 20.53 19.25 13.86 33.27 95.20 53.33 -93.56 -8.27 64.51 0.34 35.15 7.66 3.46 52.80 28.28 7.35 0.02 0.15 0.27 15 I C T 70.30 13.54 13.94 28.10 112.23 118.28 -63.53 132.44 97.20 1.30 1.50 1.51 1.97 94.26 0.56 0.39 0.00 0.50 0.81 16 G C T 50.96 3.28 20.27 24.19 94.27 17.93 82.61 -4.15 99.65 0.19 0.17 0.40 2.95 96.41 0.02 0.08 0.00 0.13 0.02 17 K C S 95.92 6.76 19.43 27.50 125.93 108.04 -103.71 149.19 98.69 1.29 0.02 33.94 64.79 0.18 0.00 0.01 0.00 0.97 0.10 18 P E E 67.18 9.19 20.72 30.23 113.89 -103.61 -67.92 142.22 30.04 69.95 0.01 30.80 0.30 0.01 0.00 0.00 0.00 67.99 0.89 19 V E E 7.26 23.18 15.62 39.09 130.97 -174.07 -132.12 149.39 1.95 98.05 0.00 1.93 0.03 0.00 0.00 0.00 0.00 97.97 0.07 20 L E E 46.37 10.02 25.52 36.57 116.13 -132.58 -100.28 127.81 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 21 V E E 4.23 24.91 17.41 43.04 121.89 -168.32 -113.42 135.38 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 22 R E E 91.57 7.88 24.08 32.51 114.12 -145.80 -100.12 121.94 0.47 99.53 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.51 0.03 23 L C C 13.30 20.47 12.00 32.49 123.19 -153.48 -88.95 162.89 50.77 49.08 0.15 50.71 0.44 0.09 0.03 0.07 0.00 48.02 0.63 24 K C T 125.51 6.08 15.97 23.30 92.61 -101.64 -63.05 -24.62 92.97 1.29 5.74 0.66 3.04 89.65 0.10 5.49 0.00 0.90 0.14 25 W C T 152.34 4.62 14.83 20.70 93.55 55.48 -85.93 2.89 94.10 0.15 5.75 0.30 2.14 91.69 0.08 5.67 0.00 0.08 0.04 26 G C S 47.20 3.44 16.39 20.70 97.60 -99.21 89.05 4.48 95.97 0.51 3.52 13.44 72.37 9.82 0.18 3.70 0.00 0.31 0.19 27 Q C C 59.20 11.04 14.00 26.44 118.47 135.49 -79.77 144.88 90.40 9.57 0.03 90.02 0.74 0.09 0.01 0.01 0.00 8.84 0.29 28 E E E 81.89 10.68 20.04 31.30 124.06 -152.13 -116.01 138.52 0.76 99.23 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.24 0.04 29 Y E E 15.12 22.15 17.47 39.76 129.28 -172.81 -128.33 143.85 0.09 99.91 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 30 K E E 81.80 10.50 25.93 36.63 124.03 -157.64 -115.16 138.00 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 31 G E E 4.25 19.03 21.85 41.00 145.37 130.20 -168.22 -176.49 0.51 99.49 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.00 32 T E E 38.94 10.37 26.60 38.24 124.72 -82.09 -117.26 141.07 0.42 99.58 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 33 L E E 8.11 24.48 16.04 41.41 109.45 -114.51 -74.07 125.72 0.66 99.33 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.01 34 Q E E 74.97 7.88 23.37 31.99 100.72 174.82 -98.06 -30.98 2.42 97.57 0.01 1.72 0.48 0.04 0.00 0.01 0.00 97.73 0.02 35 S E E 43.86 6.07 25.22 32.23 142.78 -5.08 -160.08 157.41 2.60 97.39 0.01 1.82 0.59 0.05 0.00 0.01 0.00 97.50 0.03 36 V E E 36.20 21.67 11.76 32.16 131.30 -165.14 -139.26 142.43 5.61 94.36 0.03 5.17 0.46 0.04 0.01 0.01 0.00 93.54 0.77 37 D C C 57.14 5.69 18.39 24.93 128.64 -152.45 -107.03 174.46 81.71 18.19 0.10 79.24 1.34 0.37 0.02 0.07 0.00 18.13 0.83 38 S C T 89.69 2.93 15.16 19.51 91.72 -89.64 -65.51 -19.73 98.87 0.18 0.95 0.52 6.58 91.76 0.03 0.95 0.00 0.11 0.05 39 Y C T 139.42 3.93 17.08 21.68 94.52 53.33 -91.47 0.33 99.03 0.10 0.88 0.70 6.37 91.91 0.03 0.89 0.00 0.06 0.03 40 M C C 40.35 16.93 14.71 31.65 93.96 -108.63 70.64 25.05 93.74 4.97 1.29 45.27 40.45 8.06 0.12 1.40 0.00 3.55 1.13 41 N C C 48.89 8.71 22.72 32.51 115.16 150.74 -82.35 137.00 83.33 16.61 0.06 79.54 2.39 0.63 0.01 0.05 0.00 16.35 1.02 42 L E E 6.63 25.01 16.90 42.28 121.48 -158.85 -113.13 134.47 2.88 97.12 0.00 2.87 0.06 0.00 0.00 0.00 0.00 96.97 0.09 43 Q E E 48.13 10.63 27.31 38.69 122.25 -166.93 -117.85 132.66 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 44 L E E 6.32 24.77 17.62 42.84 120.26 -161.38 -113.50 129.16 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 45 L E E 50.21 8.73 23.24 32.73 131.58 -174.84 -129.32 154.61 1.62 98.38 0.00 0.95 0.40 0.03 0.00 0.00 0.00 98.61 0.00 46 N E E 97.61 3.80 23.83 28.22 93.03 8.02 57.78 42.94 2.68 97.32 0.00 1.54 0.67 0.06 0.00 0.00 0.00 97.72 0.01 47 A E E 6.69 23.39 12.62 35.98 119.08 165.91 -81.81 145.23 1.81 98.19 0.00 1.70 0.04 0.00 0.00 0.00 0.00 98.26 0.01 48 E E E 63.31 8.62 24.77 33.89 125.60 -159.26 -122.30 141.20 0.41 99.59 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 49 E E E 31.16 17.42 16.05 33.86 120.80 -149.37 -110.40 134.44 0.38 99.62 0.00 0.29 0.02 0.00 0.00 0.00 0.00 99.69 0.00 50 L E E 55.24 9.07 16.60 27.45 120.72 -160.25 -112.65 131.18 0.87 99.13 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.23 0.01 51 V E E 57.27 9.89 10.98 22.37 118.84 -174.13 -129.15 118.62 3.74 96.23 0.03 2.33 0.85 0.20 0.00 0.02 0.00 96.42 0.18 52 D C T 129.86 1.05 13.11 13.87 92.36 -15.74 52.39 43.10 99.65 0.24 0.11 0.48 3.57 95.65 0.00 0.09 0.00 0.19 0.02 53 G C T 62.04 1.54 11.75 14.07 94.65 -50.22 79.89 2.81 99.84 0.08 0.08 0.52 3.69 95.65 0.00 0.07 0.00 0.06 0.01 54 V E E 98.72 2.13 13.20 16.62 121.22 111.61 -108.77 137.05 4.84 95.14 0.01 2.80 1.77 0.16 0.00 0.01 0.00 94.73 0.52 55 K E E 115.28 8.15 10.56 20.30 111.06 -118.07 -74.17 127.52 3.43 96.57 0.01 2.80 0.27 0.03 0.00 0.00 0.00 96.83 0.07 56 T E E 72.11 5.97 14.17 21.72 103.94 175.73 -107.99 -7.06 11.24 88.74 0.03 8.55 1.54 0.23 0.00 0.02 0.00 89.56 0.09 57 G E E 33.24 4.25 17.82 23.07 136.58 -65.50 133.48 178.45 9.65 90.31 0.04 5.86 2.68 0.48 0.00 0.03 0.00 90.85 0.09 58 D E E 97.76 5.92 15.82 23.60 121.10 -80.18 -111.45 136.00 10.52 89.46 0.02 9.14 0.96 0.07 0.00 0.01 0.00 89.62 0.19 59 L E E 57.55 14.48 13.15 27.66 102.70 -171.37 -99.51 -0.95 11.90 88.09 0.01 11.27 0.46 0.03 0.00 0.01 0.00 87.91 0.31 60 G E E 30.17 5.22 20.02 25.99 123.93 -133.35 84.15 -158.81 16.56 83.43 0.01 6.81 9.35 0.26 0.00 0.01 0.00 83.51 0.07 61 E E E 106.71 7.89 18.26 27.01 117.77 -19.42 -92.10 134.50 3.71 96.29 0.00 2.94 0.49 0.02 0.00 0.00 0.00 96.53 0.02 62 I E E 28.71 19.18 15.32 34.51 125.05 -170.79 -125.47 134.84 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 63 L E E 78.51 8.66 23.66 32.82 115.15 -149.05 -101.86 126.01 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.73 0.02 64 I E E 12.58 22.83 16.08 38.94 125.12 -174.39 -123.12 136.70 4.17 95.83 0.00 4.22 0.06 0.00 0.00 0.00 0.00 95.52 0.19 65 R C C 105.19 6.53 24.17 30.89 110.12 -120.44 -75.27 127.37 67.70 32.22 0.07 62.33 3.63 0.16 0.01 0.07 0.00 33.47 0.33 66 C H G 25.41 20.71 13.80 33.72 95.52 -138.54 -69.08 -27.29 30.54 3.50 65.96 13.29 7.59 8.53 0.98 66.53 0.00 2.88 0.20 67 N H G 105.90 3.97 21.67 26.13 92.27 68.45 -71.36 -18.47 25.52 2.88 71.60 3.34 5.72 15.21 0.63 72.67 0.00 2.25 0.17 68 N H G 59.86 10.54 18.79 30.11 98.02 49.09 -99.22 0.42 22.98 4.43 72.59 5.53 4.19 11.69 0.62 73.64 0.00 4.21 0.12 69 V E E 13.36 23.54 12.33 35.57 111.82 99.86 -84.74 121.68 4.29 95.67 0.04 4.23 0.22 0.02 0.01 0.02 0.00 95.19 0.30 70 L E E 79.75 6.60 22.26 29.44 100.63 176.12 -95.87 -32.74 3.25 96.74 0.01 2.32 0.90 0.02 0.00 0.00 0.00 96.75 0.02 71 W E E 105.73 7.40 23.97 31.98 139.66 1.17 -154.01 149.86 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 72 V E E 30.39 22.63 14.76 36.25 125.46 -165.13 -128.87 132.90 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 73 G E E 25.84 8.30 21.96 30.80 136.92 170.87 -143.75 167.10 5.42 94.55 0.03 4.60 0.46 0.06 0.01 0.01 0.00 94.70 0.16 74 E E E 100.34 10.97 15.49 26.67 115.60 -107.74 -87.74 139.04 43.06 56.35 0.59 29.40 11.69 2.31 0.10 0.53 0.00 55.43 0.54 75 S C C 52.53 10.01 11.96 22.78 117.00 -124.66 -90.53 147.57 80.85 17.92 1.23 47.15 26.66 6.56 0.15 1.21 0.00 17.41 0.85 76 T C C 103.56 2.82 12.92 17.20 110.18 -130.77 -92.65 113.58 88.62 10.33 1.05 78.70 5.06 4.48 0.22 0.85 0.00 9.20 1.49 77 V C C 93.78 6.56 11.36 19.45 112.73 -142.77 -91.54 128.37 99.90 0.09 0.00 99.88 0.05 0.02 0.00 0.00 0.00 0.05 0.01