# 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 127.18 3.76 12.42 17.62 115.64 -154.16 -88.73 138.46 99.84 0.12 0.04 99.76 0.10 0.05 0.02 0.00 0.00 0.05 0.02 1 A C C 66.12 6.56 8.49 16.54 115.38 -127.81 -81.57 145.19 92.47 3.76 3.77 89.09 1.22 3.00 1.63 1.27 0.00 2.37 1.41 2 K C C 143.57 2.63 10.63 14.94 114.73 -122.45 -88.79 139.94 88.10 6.07 5.83 67.07 11.34 9.30 1.59 4.41 0.00 3.95 2.33 3 K C C 157.95 2.15 10.77 14.63 112.06 -109.13 -79.39 132.47 81.04 7.67 11.29 33.42 17.43 31.14 1.81 9.18 0.02 4.54 2.45 4 G C T 48.53 3.58 13.30 18.04 111.78 24.84 89.94 -153.21 84.48 4.38 11.14 21.42 22.91 40.44 1.07 10.23 0.00 2.84 1.09 5 N C C 88.32 7.43 13.07 21.53 110.29 11.97 -89.28 115.93 80.94 11.19 7.87 37.69 26.40 17.14 0.72 7.65 0.00 9.22 1.18 6 R E E 112.65 9.07 15.05 24.99 122.09 -161.15 -108.60 139.88 42.24 56.35 1.41 31.19 9.32 2.45 0.24 1.27 0.00 54.32 1.21 7 I E E 46.97 13.91 14.74 29.53 120.93 -155.53 -111.50 132.51 15.02 84.90 0.08 13.27 1.15 0.09 0.02 0.05 0.00 85.19 0.23 8 Q E E 83.19 8.13 19.98 28.96 118.94 -153.58 -105.22 130.45 3.80 96.18 0.02 3.46 0.16 0.01 0.00 0.01 0.00 96.29 0.07 9 V E E 20.87 18.74 15.07 34.18 123.96 -168.20 -119.62 135.03 0.71 99.29 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.34 0.01 10 I E E 58.88 8.74 23.50 33.11 117.72 -153.72 -107.68 127.25 0.51 99.49 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 11 L E E 13.30 22.12 16.82 39.09 119.93 -164.27 -110.37 132.22 0.65 99.35 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.01 12 E E E 70.90 8.42 24.22 33.06 124.19 -170.05 -120.76 138.00 2.08 97.92 0.01 1.88 0.07 0.00 0.00 0.00 0.00 97.93 0.11 13 C E E 13.76 19.11 12.91 32.48 112.66 -117.77 -76.08 132.75 24.08 75.85 0.07 22.96 0.82 0.07 0.02 0.04 0.00 75.56 0.53 14 T C S 74.99 5.71 19.01 25.70 96.86 -156.47 -80.89 -23.94 79.21 15.14 5.65 18.39 44.18 17.11 1.63 3.22 0.01 14.12 1.33 15 E C S 115.51 3.77 17.71 21.71 99.88 51.43 -85.92 -11.71 77.51 12.91 9.58 11.58 42.98 24.73 2.87 5.00 0.11 9.76 2.96 16 H C C 80.91 10.26 11.36 22.38 107.83 43.54 -97.91 77.44 73.50 15.27 11.23 43.78 17.25 12.62 4.60 6.30 0.07 8.39 6.98 17 K C C 126.75 5.60 12.42 19.44 101.48 145.86 -79.60 -10.03 81.46 9.66 8.88 57.48 12.77 10.63 4.07 4.65 0.01 5.07 5.30 18 T C C 97.36 3.07 12.21 16.40 107.44 75.20 -91.14 62.47 81.52 7.66 10.82 30.97 23.06 28.75 2.92 6.80 0.04 3.65 3.81 19 S C T 79.17 3.50 11.27 16.23 107.39 6.16 -88.47 75.90 90.92 1.72 7.37 18.84 22.25 49.95 1.66 5.48 0.00 0.88 0.95 20 G C T 58.29 1.97 13.06 15.93 100.62 -63.57 81.79 1.68 96.22 1.78 2.00 27.36 33.74 35.03 0.26 1.94 0.00 0.97 0.69 21 V C C 75.11 6.56 11.05 19.52 117.56 108.40 -99.44 130.84 90.74 8.89 0.37 54.53 35.35 1.57 0.11 0.28 0.00 3.78 4.39 22 P C C 89.86 4.13 15.17 20.56 112.53 -110.07 -66.34 145.27 91.14 7.26 1.60 50.86 19.36 21.10 0.24 1.62 0.00 5.06 1.76 23 G C C 34.59 9.36 14.87 24.78 115.94 16.06 97.31 7.35 84.28 13.76 1.96 39.76 23.14 21.84 0.24 1.99 0.00 11.52 1.52 24 T C C 61.73 10.08 16.03 26.76 117.67 -89.86 -101.71 133.44 64.46 34.51 1.03 51.59 9.45 2.63 0.15 1.04 0.00 33.78 1.35 25 S E E 33.91 12.94 15.93 29.74 127.31 -168.83 -121.82 143.38 21.08 78.80 0.13 18.24 2.35 0.27 0.03 0.10 0.00 78.33 0.68 26 R E E 103.37 11.16 17.65 29.54 127.68 -164.98 -128.95 139.81 3.29 96.70 0.02 2.78 0.32 0.02 0.00 0.00 0.00 96.77 0.11 27 Y E E 65.05 13.57 16.70 31.09 125.85 -168.17 -124.47 138.33 1.06 98.94 0.00 0.94 0.04 0.00 0.00 0.00 0.00 99.00 0.02 28 I E E 73.50 9.07 19.32 29.45 121.23 -161.40 -115.52 130.54 1.01 98.99 0.00 0.95 0.02 0.00 0.00 0.00 0.00 99.00 0.03 29 T E E 31.39 14.42 15.19 30.53 127.85 -174.04 -122.65 146.56 2.48 97.51 0.01 2.32 0.08 0.00 0.00 0.00 0.00 97.51 0.09 30 T E E 70.80 6.84 19.60 27.38 121.95 -153.50 -113.91 135.77 11.28 88.68 0.04 10.00 1.09 0.08 0.01 0.02 0.00 88.32 0.48 31 K E E 69.66 13.10 12.42 26.10 122.33 -154.00 -107.94 142.56 40.36 59.48 0.16 35.74 3.78 0.30 0.06 0.10 0.00 58.42 1.59 32 N C C 64.12 5.79 14.20 21.69 114.89 -125.21 -84.68 142.01 70.60 29.17 0.23 67.11 2.92 0.50 0.08 0.15 0.00 26.63 2.59 33 K C T 139.14 4.99 10.90 17.52 93.73 -122.41 -66.32 -24.35 93.33 1.93 4.74 8.04 21.33 63.71 0.49 4.48 0.00 1.28 0.66 34 K C T 165.43 0.79 12.55 12.59 96.85 57.79 -79.29 -18.21 95.47 0.61 3.92 3.40 19.25 72.61 0.29 3.81 0.00 0.36 0.28 35 N C T 100.67 4.35 10.98 16.75 104.63 38.16 -100.05 36.64 93.87 2.32 3.82 22.04 30.74 40.67 0.31 4.11 0.00 1.29 0.83 36 T C C 65.35 7.89 9.97 19.34 112.71 129.87 -101.48 114.97 96.38 3.34 0.28 73.51 21.74 1.25 0.08 0.23 0.00 1.86 1.34 37 P C C 72.02 6.53 12.14 20.27 110.26 -129.99 -69.91 148.62 87.20 4.26 8.53 52.88 15.55 17.67 0.77 9.23 0.00 3.10 0.80 38 D C C 105.35 3.94 14.75 19.93 102.34 -118.65 -77.25 19.89 81.18 6.62 12.20 39.89 22.11 18.86 0.93 12.25 0.00 5.01 0.94 39 R C C 113.47 8.43 15.14 24.26 110.62 69.85 -93.36 93.84 68.21 18.78 13.01 44.49 15.30 8.80 1.38 11.79 0.00 16.86 1.39 40 L E E 42.30 16.36 12.84 28.94 118.27 92.98 -103.33 131.73 41.67 54.66 3.67 34.70 4.52 2.05 0.91 2.74 0.00 53.76 1.32 41 E E E 89.76 7.46 20.30 28.41 122.93 -164.06 -115.57 137.45 18.08 81.65 0.27 15.98 1.54 0.38 0.07 0.18 0.00 81.44 0.40 42 I E E 42.34 16.66 14.31 31.11 122.38 -161.75 -116.79 133.86 9.12 90.84 0.04 8.20 0.50 0.05 0.01 0.02 0.00 91.08 0.13 43 K E E 90.96 8.58 19.23 28.69 125.55 -170.99 -123.65 140.59 2.28 97.71 0.01 1.95 0.19 0.01 0.00 0.00 0.00 97.81 0.03 44 K E E 74.30 11.93 17.00 29.67 125.22 -163.53 -121.95 140.73 0.74 99.26 0.01 0.61 0.05 0.00 0.00 0.00 0.00 99.32 0.01 45 F E E 75.28 9.47 16.18 27.20 118.70 -147.18 -106.66 134.97 1.22 98.78 0.00 1.11 0.06 0.01 0.00 0.00 0.00 98.65 0.17 46 N E E 31.05 10.75 12.13 25.39 108.99 -139.40 -95.22 113.06 46.05 53.93 0.02 44.90 0.54 0.06 0.00 0.02 0.00 54.10 0.39 47 P C T 81.47 4.88 13.85 20.80 93.05 -160.08 -66.59 -25.92 98.50 0.14 1.36 0.30 3.20 94.97 0.03 1.39 0.00 0.08 0.03 48 I C T 120.93 2.26 13.36 16.16 96.49 49.11 -75.44 -40.01 98.63 0.12 1.25 0.26 3.25 95.19 0.03 1.16 0.00 0.06 0.03 49 L C T 89.63 3.77 11.81 17.00 98.69 29.97 -97.20 -10.88 98.80 0.20 0.99 1.47 3.60 93.71 0.05 1.00 0.00 0.13 0.04 50 K C T 151.13 2.86 12.41 17.27 94.00 -130.98 57.77 35.93 99.03 0.60 0.37 26.76 4.02 68.28 0.09 0.21 0.00 0.57 0.06 51 R E E 117.10 3.65 15.53 20.79 130.70 119.36 -127.38 155.30 31.36 68.61 0.03 26.50 3.45 0.29 0.00 0.02 0.00 69.31 0.43 52 V E E 72.78 10.42 13.56 25.01 116.96 -119.25 -93.49 133.13 1.00 99.00 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.05 0.02 53 T E E 36.27 11.54 15.47 28.61 127.56 -172.64 -125.83 145.54 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 54 V E E 66.54 8.84 18.39 28.35 117.58 -133.43 -98.34 130.22 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 55 H E E 41.60 15.72 13.99 30.22 126.42 -171.34 -120.05 145.38 1.66 98.34 0.00 1.41 0.08 0.01 0.00 0.00 0.00 98.49 0.01 56 K E E 111.90 5.68 18.97 25.86 122.85 -149.83 -115.75 138.04 2.83 97.15 0.01 2.40 0.16 0.02 0.00 0.00 0.00 97.37 0.04 57 E E E 78.11 12.25 11.67 24.54 115.44 -129.57 -88.42 132.11 9.08 90.88 0.04 8.43 0.43 0.06 0.01 0.02 0.00 90.61 0.44 58 I E E 86.95 6.65 11.75 20.17 118.05 -155.67 -105.22 134.04 44.48 55.44 0.08 44.52 0.37 0.09 0.02 0.04 0.00 53.92 1.03 59 K C C 149.65 2.66 13.56 17.65 111.87 -118.27 -83.63 128.78 99.35 0.65 0.00 99.35 0.07 0.02 0.00 0.00 0.00 0.55 0.01