# 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 V C C 47.17 12.87 17.89 31.25 119.90 -156.69 -98.92 137.24 99.76 0.24 0.00 99.75 0.08 0.01 0.00 0.00 0.00 0.15 0.01 1 F E E 64.02 12.21 18.79 31.70 123.93 -161.08 -112.97 140.52 21.12 78.87 0.01 20.86 0.31 0.02 0.00 0.00 0.00 78.40 0.40 2 Y E E 21.62 20.27 16.89 37.18 126.52 -162.08 -119.63 141.56 1.43 98.57 0.00 1.28 0.05 0.00 0.00 0.00 0.00 98.64 0.02 3 K E E 59.28 11.42 25.44 37.19 121.07 -151.72 -111.51 132.72 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 4 V E E 3.65 25.59 18.38 44.81 120.98 -161.60 -113.87 129.72 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 5 T E E 32.22 10.69 26.33 37.86 122.26 -168.07 -117.71 133.61 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 6 L E E 19.16 21.66 16.56 38.26 111.39 -127.50 -81.40 125.10 3.71 96.28 0.01 3.35 0.22 0.01 0.00 0.00 0.00 96.35 0.06 7 S E E 48.58 8.83 21.97 31.27 101.64 -176.73 -96.66 -24.86 48.71 50.50 0.79 29.75 17.54 1.74 0.19 0.48 0.00 49.64 0.65 8 R C S 98.66 8.09 20.03 28.80 135.36 16.72 -143.71 153.42 73.91 21.91 4.17 33.46 36.77 5.06 1.58 2.20 0.01 19.00 1.91 9 S C C 49.43 11.41 15.87 27.59 116.55 -113.69 -79.71 146.63 85.26 7.45 7.29 73.30 7.72 4.25 2.70 4.50 0.00 5.72 1.81 10 L C C 78.95 12.03 14.25 26.53 96.14 -134.12 -80.39 -9.92 70.70 3.12 26.18 29.67 20.02 22.20 3.84 21.08 0.01 1.48 1.71 11 I C T 106.56 5.78 14.90 22.03 108.88 94.90 -79.30 114.54 74.86 1.83 23.30 9.54 15.97 49.19 2.98 20.21 0.02 1.00 1.10 12 G C T 56.42 2.65 17.69 20.39 97.85 8.49 83.34 3.12 81.85 1.02 17.13 23.86 16.48 41.26 1.66 15.70 0.00 0.51 0.54 13 V C S 29.19 19.05 7.73 25.28 117.84 130.34 -84.03 139.72 98.47 1.22 0.31 46.56 51.59 0.35 0.18 0.08 0.00 0.25 0.99 14 P C C 64.96 3.97 16.55 21.52 114.56 -104.30 -64.00 150.33 99.53 0.19 0.28 98.34 1.12 0.14 0.21 0.03 0.00 0.06 0.12 15 H H H 146.14 2.57 13.84 18.09 91.07 -110.63 -57.18 -37.84 3.60 0.01 96.39 0.52 0.47 2.19 96.32 0.49 0.00 0.00 0.00 16 T H H 87.49 2.85 17.40 20.63 91.87 54.51 -64.56 -39.34 3.31 0.01 96.68 0.41 0.28 2.34 96.28 0.68 0.01 0.00 0.00 17 T H H 21.06 17.03 14.77 31.89 92.62 47.71 -66.47 -40.87 1.42 0.02 98.56 0.36 0.14 0.85 98.08 0.56 0.00 0.01 0.00 18 K H H 68.91 14.26 16.86 30.86 91.46 52.24 -62.18 -42.12 0.23 0.00 99.77 0.05 0.02 0.11 99.77 0.06 0.00 0.00 0.00 19 S H H 59.14 2.53 23.36 24.55 91.66 50.52 -64.04 -41.31 0.27 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 20 I H H 32.43 12.76 20.02 33.57 91.89 49.86 -64.40 -43.45 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 21 V H H 3.87 25.07 15.28 40.66 91.29 49.63 -63.29 -43.19 0.14 0.00 99.85 0.01 0.01 0.09 99.73 0.15 0.00 0.00 0.00 22 K H H 121.10 5.86 20.93 27.92 91.21 50.68 -62.73 -40.48 0.45 0.00 99.55 0.02 0.01 0.38 99.07 0.51 0.00 0.00 0.00 23 S H H 69.37 4.06 20.82 25.44 90.51 55.30 -65.33 -29.77 4.71 0.00 95.29 0.04 0.07 5.06 94.25 0.58 0.00 0.00 0.00 24 L C T 25.84 18.60 15.29 34.11 92.44 54.45 -84.43 -7.09 70.27 0.02 29.71 0.19 0.71 69.93 28.34 0.81 0.00 0.00 0.02 25 G C T 40.47 4.46 23.71 28.89 97.24 -111.26 84.56 16.64 99.74 0.01 0.25 1.19 0.89 97.77 0.11 0.03 0.00 0.00 0.00 26 L C C 14.65 23.10 10.72 33.15 108.66 144.45 -87.13 115.51 98.81 0.58 0.62 96.28 1.59 1.06 0.24 0.21 0.00 0.18 0.44 27 G C C 46.60 4.97 19.73 25.46 101.48 154.90 -99.09 -11.73 98.91 0.50 0.59 78.70 16.18 3.92 0.14 0.46 0.00 0.18 0.41 28 K C S 124.88 2.26 20.61 22.73 129.35 49.31 -123.13 156.39 93.18 5.33 1.48 20.53 66.79 4.50 0.32 0.91 0.00 0.82 6.14 29 R C T 140.25 8.00 14.11 23.53 110.50 -89.29 -62.88 135.20 98.22 0.77 1.01 0.68 6.60 91.03 0.04 0.92 0.00 0.40 0.32 30 G C T 47.31 4.69 17.19 22.95 94.40 21.17 81.63 -1.30 99.31 0.37 0.32 1.74 6.03 91.48 0.01 0.41 0.00 0.27 0.05 31 S C C 43.64 7.79 16.58 26.02 118.30 134.29 -78.81 144.95 82.54 17.28 0.18 74.14 7.95 0.30 0.03 0.18 0.00 15.89 1.50 32 I E E 75.83 13.52 15.49 29.21 121.02 -145.29 -106.82 133.44 10.72 89.26 0.02 10.68 0.24 0.01 0.00 0.01 0.00 88.35 0.70 33 V E E 40.09 12.58 18.20 31.85 124.92 -170.35 -122.25 138.62 2.51 97.49 0.00 2.39 0.06 0.00 0.00 0.00 0.00 97.51 0.03 34 Y E E 101.41 12.92 17.60 30.72 120.19 -153.49 -110.80 129.76 1.06 98.93 0.00 0.96 0.05 0.00 0.00 0.00 0.00 98.96 0.03 35 K E E 66.38 11.21 17.18 29.45 132.12 172.69 -135.90 151.28 3.34 96.65 0.01 3.11 0.13 0.01 0.00 0.00 0.00 96.55 0.20 36 K E E 122.98 3.99 21.54 25.83 114.97 -101.35 -68.07 145.24 32.15 67.78 0.07 25.82 5.60 0.40 0.01 0.06 0.00 67.62 0.50 37 V C C 38.36 19.59 10.53 29.54 109.75 -108.35 -70.68 127.31 94.41 5.41 0.18 76.07 17.67 0.87 0.04 0.16 0.00 4.49 0.70 38 N C C 64.33 4.29 18.87 23.99 134.30 159.18 -137.00 165.20 99.47 0.34 0.19 90.98 8.31 0.20 0.12 0.05 0.00 0.12 0.22 39 P H H 107.63 2.94 14.05 18.48 90.64 -99.49 -60.36 -32.74 34.65 0.06 65.28 0.89 2.11 31.25 34.68 30.96 0.03 0.03 0.05 40 A H T 80.26 1.94 16.75 18.78 91.25 58.02 -66.71 -27.76 36.45 0.08 63.47 0.71 1.70 33.76 33.15 30.54 0.04 0.04 0.06 41 I H H 23.65 18.18 11.73 29.68 97.42 40.91 -94.16 -17.09 32.00 0.39 67.61 2.04 2.82 24.82 38.35 31.28 0.23 0.21 0.25 42 A H H 41.71 14.37 13.95 28.19 93.59 90.10 -59.53 -41.62 19.06 0.33 80.61 3.13 1.95 12.86 62.18 19.45 0.10 0.19 0.15 43 G H H 46.39 2.28 20.59 21.91 92.53 48.80 -62.93 -33.17 18.83 0.18 80.99 1.42 1.34 14.49 53.14 29.37 0.05 0.11 0.07 44 S H H 39.03 10.33 18.46 29.51 91.70 55.49 -69.74 -30.90 11.80 0.37 87.82 2.46 1.42 7.04 56.24 32.45 0.05 0.26 0.09 45 L H H 8.74 24.65 12.72 36.85 92.62 59.41 -66.66 -32.82 10.93 1.73 87.35 3.80 1.84 5.36 58.49 28.82 0.07 1.25 0.36 46 A H H 65.01 5.99 19.26 26.23 90.96 64.68 -64.48 -29.81 27.71 1.41 70.87 4.67 2.82 18.97 41.77 30.26 0.11 1.02 0.38 47 K H T 124.23 4.05 19.47 23.78 91.61 58.81 -72.03 -23.36 47.20 1.30 51.51 4.12 4.71 37.57 26.68 25.42 0.20 0.84 0.47 48 V C C 16.09 20.49 12.36 32.93 100.21 49.39 -101.00 18.34 58.59 5.84 35.57 28.69 17.91 13.53 17.20 17.23 0.07 3.34 2.03 49 K H G 111.20 10.46 15.30 26.84 92.78 124.51 -60.47 -33.19 35.24 2.48 62.27 5.99 4.87 24.84 5.04 56.75 0.01 2.09 0.42 50 E H G 133.29 2.70 20.17 22.79 90.71 61.11 -71.42 -17.86 38.35 1.52 60.13 1.95 4.98 31.69 2.30 57.53 0.01 1.23 0.29 51 L H G 41.23 15.21 15.31 30.86 98.09 48.70 -100.76 -7.32 33.24 6.86 59.89 3.09 4.73 26.59 2.24 56.30 0.01 6.71 0.34 52 V E E 16.77 22.73 11.45 33.47 127.28 73.40 -118.31 143.79 7.67 92.10 0.23 6.21 1.39 0.17 0.11 0.09 0.00 91.67 0.36 53 K E E 111.17 4.20 23.67 28.19 121.36 -161.09 -114.22 133.62 1.34 98.64 0.03 1.14 0.08 0.01 0.01 0.01 0.00 98.72 0.02 54 V E E 52.34 19.22 12.18 30.34 122.64 -160.05 -117.04 132.56 0.82 99.16 0.01 0.75 0.03 0.01 0.00 0.00 0.00 99.19 0.02 55 E E E 97.62 4.02 19.89 24.81 128.81 172.92 -132.12 149.07 0.97 99.02 0.01 0.90 0.03 0.00 0.00 0.00 0.00 99.05 0.01 56 V E E 89.38 8.03 14.30 23.74 114.84 -118.25 -84.15 131.47 5.07 94.90 0.02 4.85 0.18 0.02 0.01 0.01 0.00 94.77 0.17 57 T C C 39.63 11.90 9.28 22.20 124.39 -167.52 -116.39 145.20 57.09 42.52 0.40 55.26 1.17 0.23 0.10 0.20 0.00 42.16 0.87 58 E C S 163.58 0.93 14.65 14.74 96.95 -144.22 -85.48 -15.28 88.82 9.64 1.53 30.03 53.47 5.22 0.22 1.17 0.00 9.17 0.73 59 H C S 126.37 2.47 13.46 17.16 125.17 59.24 -117.21 148.69 88.44 8.42 3.15 21.97 57.92 9.00 0.52 2.34 0.01 6.87 1.37 60 E C C 131.46 4.42 12.81 19.21 114.13 -109.39 -77.45 139.02 88.65 8.12 3.22 79.40 6.46 2.97 0.86 2.35 0.00 6.13 1.84 61 L C C 48.78 13.72 8.10 21.96 117.77 -127.18 -87.96 140.83 95.18 3.98 0.85 90.48 4.22 0.39 0.57 0.22 0.00 1.74 2.37 62 T C C 67.08 2.48 16.04 18.49 120.94 -127.40 -80.88 161.14 99.13 0.35 0.53 97.66 1.45 0.14 0.43 0.04 0.00 0.12 0.16 63 P H H 92.43 4.06 11.66 17.51 91.66 -105.78 -57.39 -38.14 6.76 0.03 93.21 2.06 1.09 3.54 91.54 1.73 0.01 0.01 0.01 64 S H H 74.54 1.32 13.64 14.58 91.95 53.38 -64.87 -38.83 5.32 0.04 94.64 1.45 0.68 3.16 92.54 2.12 0.01 0.02 0.02 65 Q H H 78.11 4.54 12.57 18.84 92.39 49.67 -66.54 -38.74 2.98 0.06 96.97 1.23 0.42 1.45 94.26 2.58 0.01 0.04 0.01 66 Q H H 65.67 8.40 11.24 21.14 92.26 52.09 -64.51 -40.89 2.30 0.03 97.67 0.93 0.31 1.10 96.12 1.52 0.00 0.02 0.01 67 R H H 140.69 2.40 14.07 17.18 92.24 51.36 -65.19 -38.50 4.28 0.05 95.67 1.12 0.48 2.60 93.29 2.45 0.01 0.03 0.02 68 E H H 120.71 2.08 14.18 16.65 92.69 52.23 -67.16 -35.71 8.47 0.04 91.49 1.31 0.82 6.03 88.77 3.02 0.02 0.02 0.02 69 L H H 88.83 6.23 12.46 19.97 94.32 51.79 -74.02 -23.46 23.08 0.15 76.78 4.04 3.10 16.08 74.32 2.28 0.03 0.05 0.10 70 R C H 121.64 7.25 11.02 19.45 99.29 62.38 -85.97 2.40 61.92 1.48 36.60 26.57 13.86 22.41 33.07 2.57 0.05 0.47 0.98 71 K C C 129.21 3.38 11.61 16.79 116.11 111.63 -84.98 141.88 91.02 1.99 6.99 56.35 27.26 7.01 5.77 1.38 0.00 0.62 1.60 72 S C C 80.34 3.34 9.96 15.16 112.12 -103.54 -73.07 146.37 96.96 1.34 1.70 72.18 21.11 3.52 0.99 0.66 0.00 0.49 1.05 73 N C C 115.25 2.80 10.20 14.64 112.69 -107.64 -88.61 124.09 98.92 0.85 0.23 83.24 14.48 1.15 0.07 0.14 0.00 0.33 0.59 74 P C T 106.28 2.77 9.85 14.43 106.71 -119.39 -69.38 132.03 97.58 0.67 1.75 21.16 15.89 60.47 0.29 1.51 0.00 0.40 0.28 75 G C T 50.74 3.32 11.21 15.74 106.30 21.49 90.52 -2.26 93.52 4.43 2.05 18.01 17.24 58.29 0.30 1.79 0.00 3.78 0.59 76 F C C 118.09 6.06 7.71 15.43 120.78 100.52 -105.77 140.90 59.97 38.76 1.27 47.99 9.18 2.54 0.36 1.04 0.00 35.35 3.53 77 I E E 121.17 2.28 10.74 14.72 120.81 -162.60 -116.20 136.54 40.22 58.94 0.83 35.57 3.28 0.87 0.37 0.46 0.00 57.45 2.01 78 V E E 102.98 4.46 7.45 13.96 115.18 -141.11 -95.28 127.41 37.08 61.61 1.30 33.12 2.63 0.82 0.73 0.59 0.00 59.90 2.21 79 E C C 136.33 2.16 7.95 11.91 116.67 -162.30 -104.56 133.93 61.31 36.50 2.19 50.59 6.58 2.60 1.01 1.08 0.00 36.69 1.44 80 K C C 166.12 1.22 7.82 10.52 114.50 -132.60 -90.58 134.11 75.50 23.25 1.24 71.15 1.52 1.94 0.41 0.57 0.00 23.17 1.24 81 R C C 173.06 2.36 9.14 13.37 113.73 -142.49 -95.59 131.08 99.76 0.23 0.01 99.71 0.08 0.04 0.01 0.00 0.00 0.15 0.01