# 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 115.98 5.64 11.95 18.89 115.59 -148.73 -91.76 131.87 99.79 0.18 0.03 99.75 0.08 0.04 0.01 0.00 0.00 0.09 0.02 1 A C C 69.36 5.66 9.09 16.43 113.86 -134.31 -82.18 142.31 88.42 7.68 3.90 84.90 1.12 3.41 1.78 1.26 0.00 5.12 2.40 2 R C C 172.81 2.17 10.30 14.11 111.54 -131.59 -89.38 131.78 82.18 12.25 5.57 58.62 15.58 7.84 2.25 3.34 0.00 9.34 3.01 3 R C C 149.75 4.46 9.76 16.20 117.06 -143.48 -101.41 134.79 81.02 13.11 5.87 61.50 13.82 5.46 2.57 3.42 0.00 9.79 3.44 4 T C C 78.58 7.22 9.96 18.64 117.71 -155.41 -103.01 139.02 81.47 13.23 5.30 68.57 9.08 3.36 3.04 2.36 0.00 10.34 3.25 5 V C C 97.31 4.60 12.74 19.01 117.01 -142.39 -98.73 137.09 78.78 14.52 6.71 58.71 15.35 4.41 4.45 2.51 0.02 11.61 2.94 6 K C C 132.67 5.17 11.94 19.10 113.24 -122.26 -83.91 128.58 74.85 17.56 7.58 58.76 10.66 4.58 5.18 2.79 0.02 13.64 4.35 7 V C C 80.73 7.07 10.73 19.35 117.09 -173.19 -112.07 131.30 74.95 15.68 9.37 56.32 12.50 4.96 7.70 2.58 0.02 10.35 5.57 8 G C C 39.93 4.15 14.64 19.78 121.82 3.99 86.66 -161.97 65.78 7.60 26.61 26.02 21.46 19.58 17.82 7.75 0.25 4.80 2.31 9 I C T 106.82 5.10 13.62 19.89 95.54 -27.68 -70.24 -29.85 59.03 4.53 36.44 12.01 15.15 32.44 23.47 11.70 0.64 2.56 2.03 10 T C T 65.45 8.15 12.04 21.26 96.87 56.73 -71.90 -30.27 55.43 6.20 38.37 10.26 12.03 32.37 23.13 14.49 1.10 3.78 2.84 11 G C T 35.48 7.27 12.88 21.48 97.51 59.36 -65.80 -33.91 51.05 9.02 39.94 17.72 11.52 22.55 18.31 20.73 0.38 6.03 2.77 12 K C T 139.57 2.99 14.87 18.75 97.01 50.10 -78.20 -22.23 55.52 11.42 33.06 15.84 12.93 27.46 14.76 17.36 0.53 7.97 3.15 13 Y C T 127.73 6.55 12.49 20.21 102.32 52.34 -95.16 1.17 60.88 13.43 25.69 23.48 14.59 24.23 12.35 11.90 0.47 8.56 4.40 14 G C C 36.46 7.10 12.73 21.03 117.72 109.84 -64.47 173.09 83.34 10.98 5.67 52.55 21.16 9.79 2.50 3.12 0.01 7.42 3.46 15 T C C 84.26 6.25 12.07 19.69 110.70 -72.61 -88.27 128.41 79.00 12.25 8.75 41.54 21.92 16.41 3.44 5.05 0.03 8.21 3.40 16 R C C 171.72 2.22 13.08 16.28 100.41 76.09 -87.93 13.61 78.73 11.75 9.52 41.88 20.45 17.17 4.20 5.05 0.04 7.92 3.30 17 Y C C 128.41 5.93 10.81 18.12 113.50 77.50 -98.71 126.54 76.70 11.73 11.56 41.38 23.77 11.92 7.63 4.03 0.07 6.71 4.49 18 G C C 32.74 4.53 14.13 19.96 122.50 -92.16 93.75 168.58 84.69 4.40 10.91 63.82 13.57 6.34 9.93 2.13 0.00 2.55 1.65 19 A H H 71.65 3.94 12.17 17.54 93.57 -91.60 -62.51 -34.48 13.45 0.27 86.28 6.05 3.05 4.63 84.43 1.58 0.01 0.13 0.11 20 N H H 105.46 1.52 15.50 16.48 92.10 55.11 -65.06 -38.79 7.29 0.21 92.50 2.70 1.14 3.66 90.56 1.72 0.03 0.12 0.07 21 L H H 59.43 7.71 13.77 23.11 92.28 50.53 -66.18 -39.80 2.55 0.10 97.35 1.16 0.38 1.17 95.82 1.38 0.01 0.06 0.02 22 R H H 85.09 10.52 13.77 25.14 91.91 52.78 -63.43 -40.98 1.44 0.05 98.51 0.65 0.19 0.62 97.90 0.59 0.00 0.03 0.01 23 K H H 116.62 2.34 18.61 20.53 91.93 51.08 -64.72 -40.24 1.71 0.06 98.23 0.66 0.20 0.82 97.81 0.46 0.00 0.03 0.02 24 R H H 120.11 3.37 18.60 22.16 91.95 50.30 -65.44 -41.04 2.09 0.09 97.82 0.70 0.24 1.09 97.47 0.42 0.01 0.05 0.02 25 V H H 35.35 12.62 15.13 28.70 92.49 50.70 -64.70 -41.85 1.53 0.05 98.42 0.55 0.18 0.72 98.19 0.31 0.00 0.03 0.01 26 K H H 96.70 7.60 17.80 26.22 91.78 51.90 -63.05 -40.41 1.99 0.06 97.95 0.66 0.20 1.00 97.64 0.44 0.00 0.03 0.01 27 K H H 122.80 2.58 19.28 21.63 91.98 50.62 -65.19 -40.15 3.35 0.10 96.55 0.75 0.31 2.08 96.13 0.63 0.01 0.06 0.02 28 I H H 65.56 8.01 17.01 26.18 93.08 48.72 -67.61 -40.47 5.56 0.31 94.14 1.60 0.72 3.06 93.55 0.78 0.02 0.18 0.08 29 E H H 63.47 10.77 15.83 27.49 92.84 52.73 -65.99 -40.64 10.22 0.95 88.84 5.06 1.40 4.13 86.85 1.68 0.03 0.64 0.21 30 I H H 81.28 5.77 17.29 24.03 92.73 51.78 -66.44 -38.66 14.27 1.40 84.32 6.20 2.14 6.58 80.12 3.57 0.05 0.99 0.35 31 S H H 50.50 6.46 15.81 23.59 94.16 52.31 -72.13 -25.67 22.76 0.71 76.53 8.79 2.77 11.49 71.21 5.01 0.04 0.42 0.27 32 K H H 101.63 9.88 14.11 24.62 94.61 75.25 -68.41 -23.09 40.88 0.75 58.37 7.00 6.00 28.06 52.28 5.77 0.14 0.38 0.39 33 K C H 128.55 4.74 15.96 21.70 98.15 48.70 -94.99 0.86 54.37 1.37 44.26 10.26 8.48 35.79 38.74 5.22 0.14 0.69 0.68 34 A C C 44.32 8.94 13.37 23.94 116.67 107.24 -77.84 145.38 86.29 4.73 8.98 59.19 20.32 6.74 6.89 2.49 0.00 2.90 1.47 35 K C C 131.79 4.94 16.96 23.35 114.80 -120.32 -85.65 134.35 76.57 20.62 2.81 63.34 8.97 3.27 1.36 1.38 0.00 19.24 2.44 36 H E E 46.48 14.90 13.03 28.46 130.84 159.10 -128.65 151.07 30.11 68.46 1.44 23.58 5.82 1.53 0.78 0.80 0.00 63.17 4.31 37 F E E 114.82 5.14 19.71 25.77 118.73 -134.49 -107.41 132.30 10.68 89.13 0.19 9.05 0.66 0.07 0.19 0.05 0.00 55.34 34.62 38 C C C 13.30 18.67 9.58 28.67 109.83 -121.70 -74.62 125.04 91.02 8.94 0.04 91.57 0.52 0.07 0.01 0.02 0.00 6.86 0.96 39 H C T 130.73 3.32 17.07 21.31 92.84 -150.92 -70.69 -24.26 99.53 0.20 0.27 0.53 5.96 93.09 0.01 0.23 0.00 0.13 0.05 40 W C T 139.21 6.15 14.93 22.18 99.78 45.62 -82.43 -40.85 99.66 0.09 0.25 0.09 2.84 96.82 0.00 0.19 0.00 0.04 0.03 41 C C T 62.27 6.01 13.25 20.95 102.81 19.89 -109.37 -14.16 99.68 0.08 0.24 0.24 3.20 96.29 0.00 0.20 0.00 0.04 0.02 42 G C C 47.96 3.41 14.51 19.16 95.33 -120.07 80.11 6.16 98.88 0.93 0.19 78.49 13.14 7.21 0.04 0.16 0.00 0.54 0.41 43 K C C 94.07 6.03 13.86 21.73 118.68 137.19 -80.09 145.42 89.76 10.14 0.10 78.25 11.41 0.39 0.03 0.09 0.00 7.30 2.53 44 F E E 108.87 9.68 15.03 25.59 117.09 -137.56 -100.98 132.43 12.21 87.71 0.09 10.59 1.11 0.07 0.07 0.04 0.00 59.09 29.02 45 R E E 95.84 8.50 19.62 28.86 131.06 160.86 -131.30 150.44 38.23 61.73 0.04 34.16 2.91 0.15 0.01 0.03 0.00 62.26 0.48 46 F E E 37.82 19.80 13.93 33.22 126.48 -145.86 -118.08 140.84 18.99 80.95 0.05 17.84 1.01 0.11 0.01 0.04 0.00 79.34 1.65 47 K E E 97.48 6.34 22.39 29.36 125.07 -166.91 -123.33 139.29 9.10 90.88 0.02 8.68 0.35 0.03 0.01 0.01 0.00 90.43 0.50 48 R E E 92.28 14.61 13.19 27.79 110.52 -119.43 -79.89 123.47 9.15 90.82 0.04 8.56 0.43 0.06 0.01 0.02 0.00 89.55 1.38 49 Q E E 100.70 5.13 17.95 24.23 101.10 176.36 -100.30 -25.09 36.56 63.30 0.14 27.58 7.86 0.67 0.02 0.12 0.00 63.25 0.50 50 A E E 43.72 5.13 18.92 24.95 139.76 -3.77 -156.55 164.92 42.54 56.95 0.52 9.25 25.35 10.10 0.05 0.51 0.00 53.01 1.73 51 V C T 84.69 7.91 17.97 26.52 109.28 -65.45 -63.87 131.63 98.26 1.38 0.36 2.72 22.61 73.03 0.02 0.40 0.00 1.04 0.19 52 G C T 17.40 13.74 18.03 32.10 97.04 12.78 86.88 -3.38 97.40 2.41 0.19 2.84 21.76 72.69 0.00 0.25 0.00 2.36 0.10 53 I E E 37.82 11.10 19.83 32.69 121.77 108.56 -112.54 132.46 8.23 91.77 0.00 7.31 0.49 0.01 0.00 0.00 0.00 91.99 0.19 54 W E E 24.58 18.67 17.36 36.62 126.87 -171.59 -122.44 142.64 0.38 99.62 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.01 55 H E E 65.46 9.09 22.94 32.78 124.67 -158.15 -119.69 136.90 0.28 99.72 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.63 0.07 56 C E E 10.02 18.18 12.46 32.02 109.44 -122.08 -77.25 123.46 27.33 72.66 0.01 27.01 0.43 0.02 0.00 0.01 0.00 71.98 0.55 57 T C T 77.55 5.57 17.88 24.79 93.71 -156.05 -69.70 -27.71 98.93 0.19 0.87 0.38 4.46 94.07 0.01 0.92 0.00 0.12 0.04 58 S C T 71.11 4.16 16.01 21.21 98.60 48.23 -78.38 -38.80 98.96 0.04 1.00 0.08 2.07 96.91 0.01 0.90 0.00 0.02 0.01 59 C C T 65.82 5.43 13.89 20.85 102.05 19.44 -108.54 -12.76 99.28 0.05 0.66 0.19 2.25 96.86 0.01 0.65 0.00 0.03 0.01 60 G C C 48.44 4.43 13.68 19.85 94.85 -122.35 77.86 7.84 99.03 0.82 0.15 76.43 7.35 15.24 0.03 0.13 0.00 0.61 0.21 61 K C C 102.77 4.65 14.73 21.32 118.65 142.38 -77.38 144.71 86.58 13.41 0.01 85.34 1.39 0.05 0.00 0.01 0.00 12.76 0.45 62 T E E 87.10 6.67 15.06 23.63 119.01 -131.69 -98.69 136.91 0.70 99.30 0.00 0.71 0.02 0.00 0.00 0.00 0.00 98.40 0.87 63 M E E 59.59 13.42 13.12 27.13 128.74 -175.11 -129.05 143.94 1.08 98.92 0.00 1.06 0.03 0.00 0.00 0.00 0.00 98.81 0.10 64 A E E 71.68 5.52 17.30 23.76 118.46 -127.11 -89.78 143.79 21.99 77.93 0.08 17.59 3.47 0.44 0.01 0.07 0.00 78.11 0.31 65 G C E 36.25 6.89 16.91 25.06 130.12 54.31 128.50 -175.18 60.03 39.25 0.72 36.58 19.81 4.13 0.10 0.71 0.00 37.63 1.03 66 G C C 36.06 8.49 16.54 25.70 128.83 67.01 142.22 -172.44 69.80 27.75 2.45 43.89 20.16 6.85 0.43 2.27 0.01 23.94 2.45 67 A C S 61.78 9.90 15.51 25.73 101.06 -85.39 -81.21 -11.61 72.47 22.34 5.19 29.08 30.04 15.08 0.82 4.28 0.02 17.85 2.83 68 W C C 114.29 10.69 15.52 26.58 122.06 66.95 -116.99 141.17 63.68 30.93 5.39 31.06 22.81 11.90 1.38 3.92 0.07 23.39 5.47 69 T C C 78.46 7.39 17.56 25.96 117.91 -152.36 -108.42 126.52 68.51 27.98 3.52 52.89 10.15 4.75 1.25 2.49 0.01 23.20 5.27 70 L C C 69.23 13.91 12.47 26.22 114.32 -152.70 -94.27 126.06 75.54 21.05 3.42 55.15 12.85 6.83 1.35 2.25 0.01 16.99 4.58 71 N C C 98.03 5.30 15.73 22.31 113.74 -157.21 -102.12 119.76 84.20 12.68 3.12 60.59 16.34 7.11 1.26 1.96 0.00 9.50 3.23 72 T C C 71.07 9.64 11.32 21.73 105.93 165.71 -97.85 16.59 80.97 7.72 11.30 53.11 16.80 11.00 6.88 4.56 0.02 4.52 3.12 73 G C C 50.46 3.34 14.79 18.90 101.75 67.97 -68.57 -30.94 75.40 2.71 21.88 30.95 23.11 22.08 14.96 6.32 0.04 1.33 1.21 74 N C C 97.90 4.37 14.29 19.63 103.05 49.16 -85.47 6.46 65.72 2.48 31.80 31.60 17.49 17.29 24.95 6.34 0.05 1.14 1.14 75 S H H 52.27 9.50 11.59 21.95 100.52 87.08 -72.29 -19.07 41.43 2.12 56.45 24.55 9.89 8.66 50.58 4.50 0.04 1.07 0.70 76 T H H 82.38 4.00 15.59 20.33 97.09 76.56 -72.21 -35.58 27.33 2.76 69.91 16.80 5.41 6.48 65.70 3.16 0.04 1.82 0.58 77 T H H 70.23 4.47 16.56 21.68 97.24 52.36 -71.83 -39.16 21.18 3.60 75.22 14.76 3.25 4.40 71.82 2.50 0.02 2.72 0.52 78 V H H 54.64 9.96 14.51 25.40 94.04 55.20 -66.23 -41.82 8.00 1.19 90.81 5.58 1.13 1.64 89.70 0.93 0.01 0.89 0.12 79 R H H 123.46 4.98 17.38 23.23 92.48 51.68 -64.83 -41.04 3.39 0.34 96.27 2.13 0.44 0.96 95.62 0.54 0.00 0.27 0.03 80 S H H 52.56 3.01 17.85 21.06 92.19 50.68 -64.83 -41.58 2.46 0.20 97.34 1.40 0.30 0.82 96.90 0.41 0.00 0.15 0.02 81 T H H 51.94 5.70 16.68 23.82 92.07 50.57 -65.14 -41.37 1.34 0.07 98.59 0.64 0.16 0.53 98.38 0.24 0.00 0.05 0.01 82 I H H 63.71 7.06 15.64 24.21 92.00 50.28 -64.59 -41.98 0.73 0.03 99.25 0.28 0.08 0.32 99.17 0.14 0.00 0.02 0.00 83 R H H 125.36 2.52 17.32 19.85 91.65 50.48 -64.19 -41.44 0.67 0.02 99.31 0.21 0.06 0.32 99.26 0.13 0.00 0.01 0.00 84 R H H 127.37 2.32 16.56 18.87 91.83 49.94 -64.79 -41.31 0.97 0.02 99.01 0.26 0.09 0.51 98.96 0.16 0.00 0.01 0.00 85 L H H 72.66 4.64 14.27 20.40 92.08 49.88 -64.96 -40.81 1.24 0.02 98.75 0.32 0.11 0.67 98.66 0.22 0.00 0.01 0.00 86 R H H 125.02 2.67 14.15 17.57 92.01 50.78 -64.69 -40.63 2.26 0.02 97.72 0.56 0.20 1.30 97.52 0.41 0.00 0.01 0.00 87 E H H 109.33 1.62 13.14 14.82 91.88 50.28 -65.08 -39.77 4.90 0.03 95.07 1.06 0.44 3.05 94.78 0.65 0.00 0.02 0.01 88 M H H 110.65 2.06 11.18 14.13 92.59 50.35 -67.32 -37.13 10.25 0.08 89.68 2.45 1.15 6.23 88.94 1.15 0.01 0.03 0.03 89 T H H 95.21 1.98 9.76 12.85 94.09 52.04 -71.40 -29.33 24.43 0.25 75.32 5.56 2.98 15.39 74.51 1.31 0.02 0.09 0.14 90 E C H 145.00 1.25 9.00 10.96 97.26 54.90 -80.58 -9.64 55.17 0.33 44.50 24.39 1.70 26.24 46.17 1.19 0.00 0.12 0.19 91 Q C C 131.32 2.28 9.83 13.66 104.28 94.91 -80.73 63.48 99.83 0.04 0.12 99.50 0.15 0.21 0.11 0.01 0.00 0.02 0.01