# 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 112.20 6.73 12.32 20.33 115.13 -132.07 -92.73 135.02 99.88 0.12 0.00 99.84 0.06 0.02 0.00 0.00 0.00 0.07 0.01 1 K C C 130.85 3.55 13.74 18.88 118.72 -152.41 -102.84 138.16 78.77 21.11 0.12 78.55 0.56 0.26 0.02 0.05 0.00 19.83 0.73 2 V E E 79.00 9.45 11.16 21.78 121.54 -145.28 -109.19 136.30 45.00 54.92 0.08 41.18 2.20 0.19 0.02 0.06 0.00 55.74 0.62 3 E E E 81.66 7.93 15.53 24.95 125.50 -170.20 -119.71 145.07 6.01 93.95 0.04 5.56 0.42 0.05 0.01 0.02 0.00 93.58 0.36 4 I E E 93.72 7.02 16.90 25.22 117.94 -129.28 -97.71 133.55 2.88 97.10 0.02 2.80 0.15 0.01 0.02 0.01 0.00 90.19 6.83 5 D C C 18.53 17.39 10.52 28.68 109.00 -118.20 -74.98 123.47 85.81 14.16 0.02 86.59 0.41 0.05 0.00 0.01 0.00 12.18 0.76 6 S C T 70.38 5.06 17.73 24.10 92.69 -150.58 -71.27 -21.35 99.78 0.10 0.12 0.34 4.86 94.60 0.00 0.11 0.00 0.07 0.02 7 F C T 92.75 10.28 15.10 25.72 99.14 46.15 -82.08 -40.29 99.86 0.05 0.09 0.06 2.71 97.13 0.00 0.07 0.00 0.02 0.01 8 S C T 52.73 6.58 14.33 22.30 101.34 19.45 -105.09 -14.30 99.86 0.06 0.08 0.37 3.99 95.52 0.00 0.08 0.00 0.03 0.01 9 G C C 47.21 4.20 14.62 20.24 95.63 -121.87 80.14 5.52 99.27 0.66 0.08 83.49 11.15 4.63 0.01 0.07 0.00 0.38 0.27 10 A C C 49.79 6.42 14.13 22.49 119.12 139.48 -78.25 148.23 95.98 4.01 0.02 91.34 4.69 0.12 0.00 0.01 0.00 3.52 0.31 11 K E E 127.55 4.90 18.92 25.08 114.49 -114.54 -78.76 135.38 2.13 97.86 0.01 2.00 0.12 0.00 0.01 0.00 0.00 87.51 10.36 12 I E E 19.82 20.38 11.05 31.10 124.55 -163.38 -121.67 138.25 8.36 91.63 0.02 8.22 0.26 0.01 0.01 0.01 0.00 86.57 4.92 13 Y C C 110.94 5.06 20.36 25.79 117.63 -122.90 -87.44 143.15 91.55 8.37 0.08 90.06 1.61 0.17 0.01 0.06 0.00 7.49 0.59 14 P C T 76.29 9.75 14.06 24.72 109.73 -87.45 -59.43 135.89 92.87 1.58 5.55 3.22 7.84 80.93 0.19 6.25 0.00 1.15 0.41 15 G C T 54.66 3.12 16.72 20.50 94.84 20.83 85.12 -3.57 92.74 1.25 6.01 3.28 7.63 81.05 0.28 6.54 0.00 0.96 0.26 16 R C C 135.46 5.10 16.72 22.96 106.68 98.24 -103.47 0.21 86.55 5.34 8.10 46.04 25.85 13.53 0.73 8.91 0.00 3.29 1.64 17 G C S 24.32 11.39 15.30 27.17 130.83 31.94 133.61 -171.93 87.71 11.87 0.42 33.01 50.84 3.99 0.05 0.43 0.00 10.79 0.89 18 T E E 58.70 8.92 19.38 29.02 122.51 -55.76 -110.59 138.81 29.45 70.41 0.14 22.27 5.74 0.76 0.02 0.13 0.00 70.66 0.43 19 L E E 46.11 15.28 15.69 31.42 120.13 -152.23 -110.38 133.97 2.29 97.70 0.00 2.02 0.11 0.00 0.00 0.00 0.00 97.80 0.06 20 F E E 62.56 10.19 17.80 29.40 124.29 -168.91 -117.78 140.56 0.23 99.77 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 21 V E E 59.26 9.82 13.68 25.15 115.65 -146.97 -106.69 124.59 1.11 98.89 0.00 1.06 0.03 0.00 0.00 0.00 0.00 98.82 0.08 22 R C C 110.34 6.73 12.59 20.83 117.00 -172.40 -106.58 135.37 60.08 39.74 0.18 56.62 1.64 0.39 0.02 0.13 0.00 40.57 0.63 23 G C T 51.62 2.83 12.93 16.40 108.27 -60.19 64.35 -130.40 91.83 4.04 4.14 1.57 8.19 81.61 0.07 4.80 0.00 3.39 0.36 24 D C T 118.23 1.79 11.44 13.87 98.38 7.14 -85.79 8.60 96.28 0.13 3.58 0.68 5.53 89.26 0.05 4.36 0.00 0.07 0.04 25 S C T 84.11 3.25 11.77 16.31 97.38 -52.13 62.88 11.16 94.59 0.63 4.79 7.89 41.84 43.41 0.13 6.14 0.00 0.41 0.18 26 K C C 103.22 4.82 13.68 20.29 117.39 127.29 -87.16 140.78 66.02 33.88 0.10 62.30 1.89 0.35 0.02 0.07 0.00 34.30 1.07 27 I E E 69.11 11.07 13.87 26.21 120.59 -151.24 -112.33 132.06 1.17 98.83 0.00 1.20 0.03 0.00 0.00 0.00 0.00 98.66 0.11 28 F E E 50.07 12.94 17.32 31.52 124.16 -169.12 -117.58 138.58 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 29 R E E 101.10 9.73 21.33 31.57 120.07 -152.52 -108.51 131.89 0.58 99.42 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.42 0.02 30 F E E 23.28 18.76 12.61 31.65 117.09 -141.56 -90.27 141.87 19.35 80.62 0.03 19.32 0.34 0.03 0.01 0.01 0.00 79.53 0.75 31 Q C S 97.59 6.24 18.89 26.21 95.86 -149.91 -81.34 -25.69 99.34 0.62 0.04 12.31 86.36 0.79 0.01 0.02 0.00 0.48 0.04 32 N C S 65.90 4.32 19.56 24.30 137.72 9.19 -146.73 164.50 99.12 0.43 0.45 19.55 78.87 0.76 0.38 0.06 0.00 0.11 0.26 33 S H H 76.82 4.27 15.00 20.89 91.49 -102.36 -61.11 -34.98 4.46 0.01 95.53 0.57 0.86 2.79 94.39 1.36 0.01 0.00 0.01 34 K H H 138.51 1.84 19.41 20.78 91.38 53.75 -64.12 -40.09 3.33 0.01 96.66 0.42 0.37 2.36 95.21 1.60 0.02 0.00 0.01 35 S H H 13.80 15.22 14.25 30.50 92.00 49.42 -65.07 -41.12 1.78 0.02 98.20 0.45 0.23 1.03 96.68 1.59 0.00 0.01 0.00 36 A H H 24.80 11.91 15.78 29.05 91.37 52.10 -62.70 -41.88 0.70 0.01 99.29 0.22 0.07 0.33 98.96 0.41 0.00 0.00 0.00 37 S H H 54.87 2.38 21.30 22.60 91.41 50.66 -63.66 -41.11 1.03 0.01 98.96 0.14 0.07 0.70 98.58 0.50 0.00 0.01 0.00 38 L H H 46.51 8.10 16.93 26.90 91.92 50.91 -64.81 -41.03 1.60 0.01 98.39 0.21 0.12 1.15 97.62 0.89 0.00 0.01 0.00 39 F H H 42.06 16.76 13.34 29.94 92.33 50.57 -65.16 -40.35 4.12 0.03 95.85 0.46 0.31 3.30 94.48 1.42 0.01 0.01 0.01 40 K H H 127.23 4.06 17.07 22.12 91.98 50.40 -67.87 -32.81 13.50 0.05 86.45 0.89 0.97 11.55 85.21 1.30 0.03 0.02 0.03 41 Q H H 117.72 2.17 16.09 18.13 95.67 52.08 -83.63 -9.83 45.83 0.29 53.87 4.43 6.82 33.84 52.74 1.82 0.05 0.09 0.21 42 R C T 123.59 10.07 11.77 22.42 100.41 -126.14 14.63 39.67 75.82 1.13 23.05 30.65 10.82 33.80 20.85 2.76 0.01 0.43 0.69 43 K C C 126.87 4.44 14.21 19.99 101.48 161.41 -85.76 -17.35 86.85 1.30 11.85 52.03 22.25 11.98 9.89 2.39 0.00 0.46 0.99 44 N C C 73.72 5.99 14.22 21.79 110.17 33.22 -115.29 101.75 95.76 0.41 3.84 78.04 15.38 2.04 3.51 0.60 0.00 0.13 0.28 45 P H H 64.74 11.18 11.21 23.57 93.25 -163.08 -63.65 -24.03 30.98 0.47 68.55 12.14 3.83 13.84 47.68 22.05 0.02 0.26 0.20 46 R H H 154.21 3.02 15.57 19.69 92.48 65.73 -69.84 -23.33 23.09 0.74 76.17 6.45 2.94 12.03 53.92 23.91 0.04 0.49 0.21 47 R H H 128.41 5.34 16.41 22.62 95.72 54.96 -81.58 -16.55 18.04 1.25 80.72 7.40 2.80 7.14 56.57 24.90 0.03 0.90 0.26 48 I H H 44.42 14.44 13.01 27.60 96.13 70.23 -71.46 -37.57 18.83 1.06 80.11 11.76 3.52 4.94 71.67 7.14 0.02 0.65 0.30 49 A H H 53.86 5.53 18.09 24.44 92.89 56.49 -63.97 -40.44 11.01 0.34 88.65 6.33 1.57 3.63 86.02 2.15 0.01 0.19 0.09 50 W H H 122.56 4.68 18.70 23.93 92.65 50.94 -66.45 -39.78 6.27 0.23 93.51 2.83 0.85 2.87 91.46 1.80 0.01 0.14 0.04 51 T H H 33.20 10.23 16.07 27.86 92.48 51.12 -65.48 -41.86 3.18 0.16 96.66 1.79 0.43 1.22 95.39 1.04 0.00 0.11 0.02 52 V H H 52.70 7.64 17.18 26.14 91.95 50.44 -63.96 -42.39 1.43 0.08 98.49 0.68 0.18 0.61 97.97 0.50 0.00 0.05 0.01 53 L H H 77.78 3.47 18.13 21.92 91.76 50.12 -63.92 -42.03 1.26 0.05 98.68 0.49 0.14 0.61 98.27 0.44 0.00 0.03 0.00 54 F H H 86.80 5.02 16.22 22.56 91.89 49.39 -64.75 -41.66 1.65 0.04 98.31 0.50 0.16 0.91 97.87 0.52 0.01 0.02 0.01 55 R H H 93.22 7.32 14.24 22.87 92.07 50.46 -65.23 -40.89 2.85 0.04 97.11 0.67 0.28 1.77 96.54 0.71 0.01 0.02 0.01 56 K H H 111.00 2.95 14.72 18.34 91.98 49.77 -64.84 -40.71 6.50 0.06 93.44 1.19 0.66 4.49 92.60 0.99 0.01 0.03 0.02 57 H H H 118.69 1.90 13.94 15.92 93.11 47.67 -67.98 -38.93 14.77 0.14 85.09 2.89 1.88 9.91 83.60 1.56 0.03 0.06 0.07 58 H H H 109.20 3.69 11.35 16.46 94.91 46.64 -73.92 -33.11 28.63 0.45 70.92 8.25 4.51 16.51 67.48 2.76 0.05 0.19 0.24 59 K H H 132.34 3.13 10.48 14.98 95.75 53.08 -75.00 -21.13 41.27 0.82 57.91 13.72 6.60 21.87 53.00 3.97 0.06 0.38 0.42 60 K C T 149.05 1.72 10.09 12.75 98.91 61.10 -79.38 -2.81 61.31 1.01 37.68 14.29 9.90 36.94 33.70 4.15 0.05 0.44 0.53 61 G C C 57.40 1.72 10.64 13.36 102.75 -40.02 78.18 6.13 87.15 0.55 12.30 42.93 3.48 40.88 10.30 1.85 0.00 0.28 0.29 62 I C C 106.04 4.95 10.21 16.76 105.40 115.51 -85.31 37.96 99.92 0.05 0.02 99.85 0.07 0.04 0.01 0.00 0.00 0.02 0.01