# 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 106.78 7.02 13.98 22.32 120.89 -163.98 -103.59 134.85 99.90 0.10 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 S C C 57.71 7.52 13.43 22.19 117.48 -124.80 -83.47 146.34 94.61 5.07 0.32 92.76 0.83 1.45 0.08 0.16 0.00 3.83 0.90 2 K C C 98.11 10.17 14.63 25.53 111.31 -145.28 -99.79 109.56 82.53 17.02 0.45 58.40 21.31 2.78 0.09 0.44 0.00 14.90 2.08 3 V E B 64.82 8.69 18.59 28.17 123.95 -147.47 -114.71 139.07 18.47 81.32 0.20 14.63 1.44 0.05 0.18 0.03 0.00 14.41 69.26 4 C C C 11.55 19.48 11.27 31.32 110.51 -113.17 -71.13 130.09 87.99 11.94 0.07 89.36 0.64 0.09 0.03 0.02 0.00 6.84 3.01 5 Q C T 113.38 4.51 19.12 24.74 92.62 -143.68 -69.06 -26.58 99.70 0.15 0.15 0.37 4.16 95.23 0.01 0.09 0.00 0.08 0.04 6 V C T 65.70 10.25 16.53 27.23 100.62 42.58 -85.14 -41.33 99.82 0.06 0.11 0.06 2.02 97.81 0.00 0.05 0.00 0.03 0.02 7 T C T 53.48 8.69 15.05 25.11 102.06 18.19 -106.88 -14.39 99.80 0.06 0.14 0.24 2.92 96.71 0.01 0.07 0.00 0.03 0.02 8 G C C 44.47 4.59 16.53 22.44 95.14 -120.68 79.64 6.69 98.64 1.25 0.11 78.68 16.88 3.07 0.03 0.08 0.00 0.63 0.63 9 K C C 89.14 7.67 13.92 23.37 119.23 135.87 -80.49 147.51 83.57 16.34 0.09 73.62 9.17 0.18 0.04 0.05 0.00 4.94 12.00 10 R C C 140.43 5.05 17.33 23.90 120.24 -130.82 -99.68 140.63 63.83 36.09 0.08 58.20 5.91 0.13 0.05 0.04 0.00 19.85 15.81 11 P C C 48.92 15.66 11.45 26.77 115.67 -108.05 -68.51 148.23 81.66 18.31 0.03 74.89 6.02 0.21 0.01 0.03 0.00 18.18 0.67 12 V E E 78.04 6.80 17.24 25.20 120.58 -145.53 -110.47 137.98 24.74 75.22 0.05 21.64 2.64 0.15 0.01 0.04 0.00 73.01 2.51 13 V E E 90.29 7.77 13.30 22.79 124.18 -155.80 -115.87 139.73 8.48 91.50 0.02 7.79 0.53 0.04 0.01 0.01 0.00 90.86 0.75 14 G E E 30.17 6.46 13.86 22.04 137.62 156.57 -152.59 172.17 8.28 91.68 0.04 7.16 0.85 0.08 0.01 0.02 0.00 91.47 0.41 15 N E E 104.60 4.13 13.15 19.16 122.69 -93.72 -115.94 142.02 11.18 88.76 0.06 9.61 1.29 0.14 0.01 0.04 0.00 88.42 0.48 16 N E E 79.92 7.73 10.74 20.02 121.28 -164.07 -113.85 140.84 17.72 82.11 0.17 14.51 2.88 0.46 0.04 0.11 0.00 81.38 0.62 17 V E E 95.53 3.53 11.00 16.40 117.60 -141.78 -105.30 130.78 23.56 76.05 0.38 20.28 2.88 0.55 0.16 0.24 0.00 73.09 2.80 18 S C C 45.62 6.30 8.06 16.25 122.97 -156.23 -95.31 168.03 59.70 39.45 0.85 54.00 3.56 1.13 0.24 0.57 0.00 38.76 1.74 19 H C T 168.62 0.91 9.25 10.51 93.70 -97.59 -66.73 -22.29 84.24 7.53 8.23 12.80 17.00 54.19 0.65 8.02 0.00 6.50 0.83 20 A C T 86.83 1.14 8.92 10.40 97.29 53.75 -89.23 3.68 91.68 0.94 7.37 12.05 16.59 62.21 0.60 7.61 0.00 0.63 0.30 21 N C S 128.65 1.71 9.61 12.59 95.42 -106.61 65.64 27.04 87.62 4.73 7.66 26.97 33.18 27.46 0.70 7.48 0.00 3.20 1.02 22 N C C 96.78 2.52 9.29 13.59 117.19 143.17 -87.89 139.99 74.06 24.97 0.98 52.69 10.27 9.45 0.18 0.87 0.00 25.19 1.35 23 K E E 141.41 3.63 9.38 15.27 115.88 -138.11 -98.07 133.56 29.30 70.45 0.25 25.20 3.39 0.70 0.08 0.20 0.00 68.22 2.21 24 T E E 68.37 4.72 11.24 17.99 124.80 -173.96 -122.11 148.28 18.05 81.89 0.06 15.64 1.73 0.19 0.01 0.04 0.00 81.87 0.51 25 K E E 135.76 4.26 11.78 18.20 117.06 -123.20 -89.32 133.76 14.16 85.82 0.02 12.64 0.81 0.06 0.00 0.01 0.00 86.24 0.22 26 R E E 104.82 7.61 12.21 21.67 127.74 -176.17 -127.03 145.87 7.71 92.28 0.01 7.22 0.30 0.02 0.00 0.00 0.00 92.28 0.18 27 R E E 133.81 6.02 14.42 22.28 118.70 -137.91 -103.32 133.07 3.45 96.55 0.00 3.33 0.10 0.00 0.00 0.00 0.00 96.31 0.25 28 F E E 62.75 12.69 12.99 26.68 124.56 -170.68 -118.38 141.37 7.76 92.22 0.01 7.56 0.31 0.02 0.01 0.01 0.00 89.12 2.99 29 E C C 102.86 6.23 18.57 25.83 115.43 -141.70 -101.88 124.27 76.35 23.60 0.06 72.65 2.65 0.15 0.01 0.05 0.00 24.14 0.35 30 P C C 38.44 15.37 14.78 30.04 112.87 -126.69 -70.05 150.98 83.98 15.24 0.78 42.72 25.75 14.21 0.05 1.05 0.00 15.83 0.40 31 N C C 60.69 9.86 18.33 28.88 104.97 -123.43 -84.21 79.13 63.34 35.75 0.91 36.22 13.55 12.75 0.06 1.18 0.00 35.56 0.69 32 L E E 52.79 13.73 15.12 29.47 117.37 136.16 -96.60 132.38 19.40 80.56 0.03 18.06 1.11 0.06 0.01 0.02 0.00 80.11 0.63 33 H E E 62.60 10.76 17.17 29.19 126.17 -171.85 -122.49 141.95 3.25 96.74 0.00 2.93 0.19 0.01 0.00 0.00 0.00 96.78 0.08 34 H E E 101.57 8.72 16.93 26.79 119.45 -142.99 -105.92 132.44 1.36 98.64 0.00 1.21 0.05 0.00 0.00 0.00 0.00 98.72 0.01 35 H E E 46.41 12.64 14.31 28.38 130.02 -175.80 -131.90 147.80 0.83 99.17 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.22 0.01 36 R E E 125.66 6.26 17.36 25.05 117.86 -134.30 -101.91 131.09 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 37 F E E 39.98 13.82 13.29 28.38 130.08 -173.96 -130.47 151.87 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 38 W E E 123.83 5.07 16.18 22.72 114.92 -128.21 -94.99 129.24 0.46 99.54 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.01 39 L E E 31.03 11.39 9.53 22.91 110.64 -153.64 -99.04 115.73 5.25 94.74 0.02 4.63 0.32 0.03 0.00 0.01 0.00 94.82 0.19 40 E C T 133.70 2.46 11.77 15.75 94.64 -156.25 -65.48 -33.84 83.28 0.39 16.33 0.61 2.65 78.33 0.25 17.85 0.00 0.24 0.07 41 S C T 93.97 0.76 11.67 11.80 93.77 50.51 -70.65 -32.67 82.97 0.15 16.88 0.48 2.27 78.22 0.25 18.66 0.00 0.08 0.05 42 E C T 110.18 3.12 10.19 14.69 99.62 33.59 -100.99 -1.98 83.17 0.10 16.73 0.67 2.54 76.74 0.21 19.76 0.00 0.05 0.03 43 K C T 162.23 1.79 11.76 14.98 94.96 -131.15 54.67 38.41 99.67 0.09 0.24 2.97 2.22 94.54 0.03 0.15 0.00 0.07 0.01 44 R E E 120.61 3.47 13.18 18.44 130.24 119.59 -127.71 153.37 7.23 92.75 0.01 5.93 0.77 0.07 0.00 0.01 0.00 93.05 0.17 45 F E E 112.65 8.05 12.54 22.08 116.39 -118.43 -89.53 134.87 0.63 99.37 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 46 V E E 42.14 11.43 14.23 27.34 125.29 -168.80 -121.72 139.47 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 47 R E E 125.70 8.24 17.49 27.05 118.61 -143.21 -102.92 130.98 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 48 L E E 25.17 17.04 16.11 33.67 128.49 -173.75 -126.20 145.74 0.54 99.46 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.00 49 R E E 102.94 9.59 23.28 33.21 116.35 -133.19 -94.22 130.49 0.44 99.56 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 50 L E E 10.53 22.37 16.68 38.88 132.51 -176.55 -129.35 152.90 1.17 98.82 0.00 1.13 0.02 0.00 0.00 0.00 0.00 98.78 0.07 51 T E E 25.20 11.94 20.26 33.35 119.30 -108.52 -73.60 157.60 24.69 75.30 0.01 25.30 0.25 0.01 0.00 0.00 0.00 74.07 0.36 52 T H H 63.07 9.31 19.92 30.12 91.70 -110.70 -59.23 -37.02 2.73 0.01 97.26 0.20 0.26 2.19 96.63 0.70 0.01 0.00 0.00 53 K H H 113.04 3.76 24.32 28.14 91.66 54.06 -64.02 -39.96 1.19 0.00 98.81 0.05 0.06 1.06 98.19 0.63 0.00 0.00 0.00 54 G H H 4.40 19.82 17.67 37.95 91.51 50.53 -64.51 -41.95 0.67 0.00 99.33 0.07 0.04 0.49 98.61 0.79 0.00 0.00 0.00 55 M H H 30.54 18.19 18.83 36.54 91.40 51.46 -63.20 -41.82 0.55 0.00 99.45 0.07 0.03 0.35 99.21 0.34 0.00 0.00 0.00 56 R H H 121.99 3.04 24.15 26.40 91.62 50.62 -63.91 -41.30 2.35 0.01 97.63 0.20 0.10 1.93 97.50 0.26 0.00 0.00 0.00 57 I H H 39.63 9.08 19.34 30.03 91.81 49.52 -64.51 -42.57 2.76 0.04 97.20 0.39 0.25 1.96 97.08 0.29 0.01 0.02 0.01 58 I H H 12.40 21.16 13.52 34.55 91.70 49.74 -64.28 -42.50 2.22 0.04 97.73 0.55 0.31 1.15 97.68 0.27 0.00 0.02 0.01 59 D H H 86.08 6.74 17.56 25.33 92.60 48.15 -66.47 -38.79 3.67 0.03 96.30 0.65 0.34 2.43 96.12 0.44 0.01 0.01 0.01 60 K H H 150.17 1.12 18.46 18.05 96.68 41.94 -76.54 -38.26 6.00 0.02 93.98 0.37 0.50 4.84 93.85 0.40 0.01 0.01 0.01 61 L H H 82.33 5.86 15.20 22.33 100.55 28.92 -102.27 -15.85 12.61 0.10 87.28 1.20 2.93 8.09 87.34 0.33 0.02 0.03 0.05 62 G C C 18.25 5.94 19.03 26.92 124.83 -119.15 89.45 165.45 90.80 0.34 8.86 85.64 1.91 2.18 9.58 0.42 0.00 0.11 0.17 63 I H H 34.15 20.24 13.36 33.00 91.79 -89.81 -59.26 -38.86 2.12 0.01 97.87 0.63 0.29 0.93 97.83 0.31 0.00 0.00 0.00 64 E H H 122.36 3.88 20.65 25.44 91.41 53.76 -63.25 -39.98 0.97 0.00 99.02 0.21 0.08 0.56 98.87 0.28 0.00 0.00 0.00 65 K H H 106.56 3.65 21.83 25.27 92.10 48.34 -66.35 -40.21 0.34 0.00 99.65 0.08 0.03 0.18 99.51 0.20 0.00 0.00 0.00 66 V H H 11.25 18.31 16.76 35.69 91.92 49.66 -64.02 -43.70 0.19 0.00 99.81 0.04 0.01 0.09 99.82 0.04 0.00 0.00 0.00 67 V H H 27.13 15.14 18.76 34.24 91.60 48.82 -63.87 -42.60 0.18 0.00 99.81 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 68 A H H 49.41 3.11 21.47 24.24 91.13 50.53 -63.10 -42.01 0.32 0.00 99.68 0.04 0.01 0.19 99.72 0.04 0.00 0.00 0.00 69 D H H 58.44 5.48 19.35 25.79 91.83 49.52 -65.25 -40.70 1.05 0.00 98.94 0.14 0.07 0.68 99.01 0.10 0.00 0.00 0.00 70 L H H 19.27 14.82 13.06 29.09 91.76 50.75 -64.14 -41.75 1.97 0.03 98.00 0.44 0.20 1.18 97.79 0.37 0.00 0.01 0.01 71 R H H 133.89 4.40 15.06 20.84 91.67 50.71 -63.80 -40.38 3.37 0.04 96.59 0.65 0.27 2.19 96.06 0.79 0.01 0.02 0.01 72 A H H 84.27 1.47 13.95 15.54 91.23 53.07 -66.29 -29.10 11.79 0.06 88.15 0.83 0.66 10.00 87.61 0.84 0.02 0.02 0.03 73 Q C T 110.12 3.59 11.68 16.74 93.94 50.07 -88.27 -0.74 73.76 0.09 26.15 1.09 2.19 68.30 27.30 1.03 0.00 0.03 0.06 74 G C T 62.17 0.97 13.29 13.97 96.42 -107.42 80.45 11.78 98.03 0.08 1.89 4.38 4.46 89.43 1.34 0.32 0.00 0.04 0.03 75 Q C C 87.37 7.00 8.86 17.71 117.56 139.58 -89.00 139.18 97.85 0.93 1.22 84.34 10.42 3.21 0.58 0.53 0.00 0.48 0.45 76 K C C 154.48 1.98 14.04 17.12 112.64 -128.17 -88.30 127.78 96.49 2.51 1.01 91.22 3.19 2.32 0.44 0.37 0.00 1.43 1.03 77 I C C 65.55 14.38 10.94 24.86 115.67 -169.38 -104.33 130.94 99.81 0.18 0.01 99.79 0.08 0.02 0.00 0.00 0.00 0.10 0.01