# 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 127.33 3.68 11.11 16.61 115.60 -160.82 -92.88 133.64 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 A C C 72.79 4.74 8.47 15.11 113.88 -131.96 -85.23 136.65 93.69 3.73 2.58 90.10 0.85 3.59 0.79 1.13 0.00 2.26 1.29 2 K C C 158.90 1.76 9.89 13.12 112.40 -149.04 -93.89 124.90 89.06 6.51 4.43 48.55 17.96 22.78 0.87 3.75 0.00 4.22 1.86 3 G C C 49.81 3.55 11.09 16.03 116.22 11.08 83.23 165.19 87.27 7.95 4.78 43.02 23.20 21.39 0.65 4.55 0.00 5.69 1.49 4 I C C 106.97 5.75 11.02 18.31 114.34 -116.06 -90.97 131.98 80.83 14.49 4.67 53.15 20.29 7.34 0.85 4.20 0.00 12.17 2.00 5 R C C 127.87 7.07 13.25 21.63 117.80 -154.47 -102.98 134.67 64.32 32.86 2.82 46.65 13.32 4.01 0.54 2.35 0.00 31.39 1.74 6 E E E 86.93 10.20 14.90 25.81 115.69 -147.28 -96.38 131.59 39.42 59.31 1.28 30.84 6.70 1.21 0.25 0.87 0.00 59.56 0.57 7 K E E 97.19 8.56 18.29 27.49 121.05 -152.88 -106.43 135.07 11.76 88.05 0.19 10.34 1.05 0.13 0.05 0.11 0.00 88.10 0.23 8 I E E 21.77 18.85 14.88 34.13 125.38 -168.43 -122.26 138.71 2.11 97.88 0.01 1.91 0.08 0.01 0.00 0.00 0.00 97.93 0.06 9 K E E 82.29 8.42 23.63 32.64 118.60 -144.55 -105.22 131.24 0.81 99.19 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.01 10 L E E 12.53 22.49 16.38 38.99 121.35 -163.88 -112.47 134.94 0.65 99.35 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.01 11 V E E 50.79 8.22 22.69 31.81 121.73 -164.94 -115.32 134.24 1.26 98.74 0.01 1.15 0.05 0.00 0.00 0.00 0.00 98.64 0.15 12 S E E 15.63 17.00 12.04 29.54 115.94 -124.89 -76.16 144.53 28.54 71.40 0.05 26.89 0.85 0.09 0.01 0.03 0.00 71.50 0.62 13 S C T 77.03 4.27 16.92 22.46 93.51 -140.77 -74.17 -16.65 97.38 1.61 1.01 3.90 41.95 51.64 0.05 0.97 0.00 1.31 0.19 14 A C T 67.57 4.85 13.66 19.74 97.18 65.69 -83.67 -1.92 97.66 1.01 1.34 2.13 37.68 58.05 0.05 1.22 0.00 0.58 0.27 15 G C S 54.90 2.42 14.05 17.35 100.27 -93.24 86.61 5.35 97.48 1.49 1.02 14.36 59.46 23.61 0.07 1.10 0.00 0.95 0.43 16 T C S 87.07 3.93 13.50 18.52 100.54 112.16 -91.88 -1.13 96.25 3.23 0.51 37.91 40.08 18.40 0.06 0.62 0.00 2.27 0.66 17 G C C 45.84 5.06 14.01 20.34 99.75 -112.07 83.42 5.36 83.27 16.49 0.23 39.51 38.13 5.81 0.02 0.29 0.00 15.38 0.85 18 H E E 89.68 7.85 13.94 23.30 120.15 120.87 -96.28 140.04 42.09 57.86 0.04 37.07 3.65 0.20 0.01 0.04 0.00 58.18 0.85 19 F E E 103.29 10.83 14.32 26.11 128.98 -170.31 -127.59 144.27 3.45 96.54 0.00 3.07 0.18 0.01 0.00 0.00 0.00 96.60 0.13 20 Y E E 78.06 11.34 16.10 28.64 129.01 -169.95 -130.29 144.56 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.01 21 T E E 70.64 9.44 16.25 27.09 126.04 -159.37 -123.04 140.97 0.61 99.39 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.01 22 T E E 37.24 12.45 15.22 29.03 130.89 -175.47 -133.75 148.92 4.24 95.76 0.00 4.07 0.09 0.00 0.00 0.00 0.00 95.76 0.08 23 T E E 76.75 6.77 18.39 26.40 121.57 -147.89 -114.19 136.27 15.30 84.68 0.02 14.44 0.64 0.03 0.00 0.01 0.00 84.35 0.52 24 K E E 61.95 12.97 12.89 26.70 126.74 -170.78 -121.37 145.68 40.84 59.02 0.14 37.24 2.49 0.21 0.06 0.09 0.00 56.22 3.69 25 N C C 62.01 5.60 15.19 22.52 112.33 -119.82 -78.78 134.30 68.67 31.12 0.21 65.70 2.50 0.36 0.09 0.12 0.00 26.84 4.40 26 K C T 118.95 8.12 10.73 20.12 93.35 -136.45 -64.97 -26.12 95.93 1.67 2.40 5.29 21.14 69.56 0.30 2.04 0.00 1.05 0.62 27 R C T 184.06 0.91 13.43 13.66 94.35 57.53 -74.90 -26.51 97.72 0.46 1.82 2.09 20.23 75.43 0.15 1.61 0.00 0.27 0.22 28 T C T 89.01 2.99 12.44 16.38 102.00 36.86 -98.97 -3.56 95.76 2.18 2.06 12.24 29.69 53.81 0.22 1.99 0.00 1.34 0.71 29 K C C 100.94 8.51 10.49 20.06 110.22 82.89 -100.87 101.86 94.11 5.66 0.22 63.90 29.41 1.35 0.06 0.18 0.00 3.25 1.85 30 P C C 62.67 7.88 11.73 21.37 112.54 -142.21 -69.49 149.70 83.89 6.21 9.90 60.05 12.21 10.05 0.62 11.15 0.00 4.81 1.11 31 E C S 139.88 3.17 14.83 19.05 99.48 -116.01 -75.35 -16.21 77.98 8.05 13.97 30.94 31.75 15.51 0.82 13.70 0.00 6.34 0.94 32 K C C 109.74 6.43 15.73 23.17 118.96 32.37 -111.33 130.67 66.47 18.30 15.23 44.63 11.99 9.66 1.04 14.54 0.00 17.06 1.08 33 L C C 39.49 17.42 11.70 28.57 119.49 -166.96 -106.10 134.80 51.29 45.14 3.57 45.40 3.97 1.55 0.71 2.86 0.00 44.32 1.19 34 E E E 97.18 6.73 20.02 27.54 121.72 -158.90 -113.42 135.41 25.31 74.36 0.33 22.66 1.92 0.46 0.09 0.23 0.00 74.04 0.59 35 L E E 44.46 16.25 13.79 30.12 123.84 -164.06 -117.63 135.71 14.75 85.19 0.06 12.47 1.60 0.11 0.01 0.04 0.00 85.58 0.18 36 K E E 97.58 8.28 18.38 27.72 123.66 -165.73 -120.77 135.89 4.98 95.01 0.01 3.65 1.06 0.03 0.00 0.01 0.00 95.21 0.04 37 K E E 78.10 11.16 16.78 28.73 128.80 -169.94 -128.94 145.92 1.06 98.93 0.01 0.88 0.09 0.01 0.00 0.00 0.00 99.00 0.02 38 F E E 85.51 8.83 15.90 26.21 120.22 -142.22 -110.00 134.38 1.41 98.58 0.01 1.31 0.08 0.01 0.00 0.00 0.00 98.34 0.25 39 D C C 28.14 11.24 11.15 24.68 109.09 -137.76 -95.66 114.23 54.02 45.95 0.03 52.94 0.60 0.08 0.00 0.02 0.00 45.95 0.41 40 P C T 89.57 3.79 13.70 19.28 92.74 -158.74 -66.94 -23.91 99.02 0.13 0.85 0.36 4.33 94.29 0.02 0.89 0.00 0.09 0.03 41 V C T 110.51 1.70 13.16 15.25 97.40 48.16 -77.64 -40.06 99.06 0.17 0.77 0.33 4.55 94.23 0.02 0.74 0.00 0.09 0.05 42 V C T 78.66 3.85 11.37 16.79 99.33 28.32 -98.51 -13.07 99.06 0.33 0.61 1.93 4.90 92.25 0.03 0.61 0.00 0.20 0.07 43 R C T 172.21 2.53 12.25 16.65 94.26 -130.41 58.12 35.42 98.49 1.13 0.38 29.98 5.50 63.00 0.08 0.25 0.00 1.07 0.12 44 Q E E 90.98 3.68 15.21 20.46 130.65 116.37 -125.50 157.36 37.84 62.12 0.04 29.14 6.02 0.58 0.01 0.04 0.00 63.83 0.39 45 H E E 101.95 8.31 14.60 24.19 115.45 -108.17 -80.56 134.92 1.05 98.95 0.00 0.94 0.02 0.00 0.00 0.00 0.00 99.00 0.03 46 V E E 27.62 14.65 14.13 30.05 126.06 -170.59 -124.38 141.29 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 47 I E E 74.89 7.59 20.36 28.92 115.50 -133.07 -91.75 129.29 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 48 Y E E 35.14 18.87 13.91 32.69 126.20 -172.28 -120.00 147.60 2.61 97.39 0.00 2.38 0.08 0.00 0.00 0.00 0.00 97.51 0.02 49 K E E 95.83 6.85 21.63 29.19 124.77 -151.49 -117.78 141.01 4.76 95.23 0.02 4.21 0.21 0.02 0.00 0.01 0.00 95.52 0.04 50 E E E 60.80 15.97 14.25 30.08 120.84 -140.80 -101.71 138.12 6.04 93.92 0.04 5.45 0.31 0.04 0.01 0.02 0.00 94.00 0.17 51 A E E 38.41 8.85 16.65 27.11 130.00 -169.50 -129.68 152.37 10.64 89.28 0.08 9.10 1.16 0.20 0.02 0.06 0.00 89.19 0.29 52 K E E 129.34 4.98 14.44 21.21 116.14 -125.61 -96.04 131.44 20.04 79.85 0.11 17.64 1.79 0.29 0.03 0.09 0.00 79.46 0.72 53 I C C 78.13 10.28 8.90 19.99 114.53 -147.35 -94.99 129.71 60.44 39.45 0.11 59.32 0.61 0.19 0.03 0.06 0.00 38.76 1.03 54 K C C 156.91 1.73 13.98 16.41 110.21 -141.37 -85.72 123.02 99.86 0.14 0.00 99.81 0.07 0.02 0.00 0.00 0.00 0.09 0.01