# 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 107.55 7.70 12.66 21.45 114.51 -147.01 -88.38 132.64 99.93 0.06 0.02 99.85 0.07 0.04 0.00 0.00 0.00 0.02 0.01 1 S C C 72.45 5.29 11.40 18.37 112.89 -155.67 -93.57 134.86 92.86 2.59 4.55 86.58 1.99 5.17 1.25 2.43 0.00 1.58 1.00 2 E C C 126.38 5.29 12.13 18.96 107.27 -143.66 -86.79 87.89 86.19 5.20 8.62 55.31 18.24 12.56 1.31 7.76 0.00 3.69 1.13 3 S C C 70.54 5.37 15.29 21.88 111.76 -149.20 -95.72 119.98 81.17 9.98 8.84 55.69 15.71 9.75 1.36 7.71 0.00 8.45 1.32 4 L C C 42.23 19.53 10.95 29.14 122.09 109.58 -108.59 137.09 68.06 27.21 4.72 55.47 8.45 3.25 0.92 3.64 0.00 26.80 1.46 5 S E E 56.71 5.42 22.19 28.23 128.59 -171.70 -126.62 147.77 39.69 58.73 1.58 33.73 4.25 1.32 0.38 1.02 0.00 58.43 0.86 6 W E E 76.46 20.45 12.14 31.19 128.69 -167.65 -129.84 141.37 17.16 82.48 0.35 15.55 1.24 0.25 0.10 0.17 0.00 82.36 0.34 7 M E E 94.17 4.48 22.22 27.36 128.62 -174.56 -133.31 144.32 4.29 95.54 0.17 3.73 0.36 0.09 0.06 0.07 0.00 95.49 0.20 8 Q E E 81.62 15.18 11.29 25.91 119.12 -151.25 -111.36 129.48 7.56 92.17 0.27 6.07 0.99 0.26 0.10 0.13 0.00 92.19 0.26 9 T E E 89.11 2.74 16.28 19.76 111.67 174.34 -125.27 97.75 26.83 72.72 0.46 20.59 4.48 1.48 0.14 0.33 0.00 72.41 0.57 10 G C T 51.07 2.27 16.72 19.27 110.20 -55.44 63.60 -131.01 99.10 0.66 0.23 2.99 23.98 72.11 0.01 0.26 0.00 0.59 0.06 11 D C T 72.24 12.05 14.60 27.11 96.98 -15.62 -97.93 8.37 99.36 0.45 0.19 2.59 25.19 71.56 0.01 0.21 0.00 0.41 0.04 12 T E E 40.40 11.09 19.84 32.18 125.68 87.54 -113.50 140.53 9.99 89.99 0.02 7.15 2.35 0.14 0.00 0.02 0.00 90.03 0.31 13 L E E 6.59 23.61 16.73 40.91 120.10 -159.36 -112.33 130.57 0.69 99.31 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.02 14 A E E 25.13 10.33 26.42 37.84 119.66 -161.97 -110.92 129.74 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 15 L E E 6.10 24.83 16.13 41.54 120.87 -162.94 -112.76 133.16 1.74 98.26 0.00 1.70 0.04 0.00 0.00 0.00 0.00 98.20 0.07 16 S E E 47.63 7.98 24.12 32.19 128.64 -174.95 -120.86 149.17 32.17 67.78 0.05 24.87 5.95 0.38 0.01 0.04 0.00 68.47 0.29 17 G C S 26.63 5.51 22.81 29.30 133.94 29.32 116.62 -167.12 61.64 38.31 0.05 9.43 49.29 1.29 0.00 0.05 0.00 39.61 0.33 18 E C C 105.98 6.19 23.63 30.43 117.89 -37.41 -86.52 138.84 60.66 39.27 0.06 56.67 2.26 0.19 0.01 0.05 0.00 40.05 0.77 19 L E E 8.71 25.28 11.90 37.44 114.71 -138.60 -89.75 127.86 28.24 71.64 0.13 27.70 0.69 0.09 0.09 0.06 0.00 49.14 22.23 20 D C C 58.41 5.87 23.74 29.52 131.68 -174.54 -123.57 167.60 60.88 39.00 0.11 60.41 1.40 0.14 0.05 0.06 0.00 32.74 5.21 21 Q H T 99.24 10.92 14.38 25.82 91.78 -100.62 -60.27 -32.36 38.61 0.09 61.31 0.58 2.12 36.68 28.74 31.74 0.03 0.05 0.07 22 D H T 115.21 1.31 19.15 19.47 91.17 58.64 -69.61 -26.09 36.77 0.03 63.19 0.39 1.24 36.57 28.30 33.44 0.01 0.02 0.03 23 V H G 36.66 14.49 15.34 30.11 97.99 43.21 -89.72 -24.62 38.49 0.08 61.43 0.93 2.13 35.02 26.61 35.20 0.01 0.04 0.05 24 L H H 12.12 23.18 13.33 35.92 93.28 64.44 -70.08 -32.68 23.97 0.22 75.81 5.98 4.19 14.04 64.83 10.64 0.07 0.08 0.17 25 L H H 84.78 5.05 20.53 26.29 91.88 63.26 -60.90 -42.85 1.84 0.00 98.16 0.32 0.18 1.15 97.53 0.83 0.00 0.00 0.00 26 P H H 59.31 4.61 21.55 26.52 91.52 50.19 -64.05 -39.76 0.74 0.00 99.26 0.08 0.04 0.55 98.50 0.83 0.00 0.00 0.00 27 L H H 9.31 22.08 16.88 38.83 92.04 50.22 -64.89 -42.35 0.18 0.00 99.82 0.02 0.01 0.12 99.33 0.52 0.00 0.00 0.00 28 W H H 59.13 16.61 19.25 35.26 91.63 51.19 -62.95 -42.14 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 29 E H H 111.62 2.09 23.96 24.45 91.62 50.23 -64.09 -41.23 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.05 0.00 0.00 0.00 30 M H H 49.53 10.67 19.53 31.17 91.84 50.16 -65.24 -41.41 0.23 0.00 99.77 0.01 0.01 0.16 99.75 0.06 0.00 0.00 0.00 31 R H H 21.33 22.79 16.08 38.11 91.89 51.67 -63.77 -42.11 0.25 0.00 99.75 0.02 0.01 0.17 99.67 0.13 0.00 0.00 0.00 32 E H H 88.19 10.02 20.02 30.22 91.71 51.88 -63.46 -40.33 0.59 0.00 99.41 0.04 0.03 0.45 99.12 0.35 0.00 0.00 0.00 33 E H H 120.32 2.20 23.06 24.11 92.27 50.18 -66.04 -38.64 2.72 0.00 97.28 0.12 0.12 2.40 96.49 0.87 0.00 0.00 0.00 34 A H H 22.21 15.53 16.76 32.58 92.89 50.84 -71.13 -29.33 11.99 0.03 87.98 0.89 0.84 10.04 86.64 1.54 0.01 0.01 0.02 35 V H H 21.24 21.14 14.16 34.59 96.09 53.38 -86.00 -8.50 49.35 0.82 49.82 12.87 3.79 32.02 46.61 3.84 0.03 0.40 0.43 36 K C T 143.17 3.23 20.24 24.63 109.18 115.40 -72.37 114.55 83.13 0.98 15.90 7.87 6.59 67.39 14.46 2.67 0.01 0.55 0.46 37 G C T 41.28 5.53 20.18 26.10 102.34 11.67 85.48 -5.89 93.56 0.60 5.84 8.32 11.10 74.63 3.26 2.05 0.00 0.46 0.18 38 I C C 49.42 15.84 16.61 32.34 118.45 102.12 -102.23 130.90 80.84 18.14 1.02 69.39 7.67 2.14 0.33 0.57 0.00 19.26 0.64 39 T E E 25.96 17.14 21.07 37.95 120.21 -165.29 -110.98 133.35 31.29 68.58 0.12 26.10 4.44 0.28 0.03 0.08 0.00 68.46 0.62 40 C E E 32.22 16.37 24.42 40.05 121.22 -156.29 -113.23 129.13 2.09 97.89 0.02 1.88 0.15 0.02 0.01 0.01 0.00 97.79 0.15 41 I E E 8.63 23.64 21.55 45.14 116.05 -163.22 -110.89 121.02 0.63 99.36 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.30 0.06 42 D E E 45.72 11.13 26.03 37.69 109.40 -150.64 -96.00 112.10 4.78 95.20 0.02 4.47 0.18 0.02 0.00 0.01 0.00 95.21 0.11 43 L C C 6.69 24.20 16.09 41.64 97.95 172.67 -103.55 11.96 61.67 33.25 5.07 56.65 2.55 1.90 0.53 4.13 0.00 33.68 0.55 44 S C T 52.76 10.35 19.69 31.11 91.57 112.07 -63.03 -23.54 67.13 25.42 7.45 10.87 13.12 43.65 0.40 7.56 0.01 23.34 1.05 45 R C T 145.69 4.04 22.09 26.68 94.72 51.32 -93.06 -0.64 72.41 22.16 5.43 8.80 15.56 48.17 0.24 5.70 0.00 20.87 0.66 46 V C C 15.14 23.23 10.70 33.60 113.86 103.26 -83.38 126.98 54.40 45.30 0.30 51.72 2.28 0.25 0.06 0.22 0.00 43.95 1.51 47 S C E 67.64 4.90 22.33 27.90 101.11 -173.80 -98.87 -22.06 54.23 45.57 0.19 31.53 22.27 1.24 0.03 0.19 0.00 43.83 0.90 48 R E E 119.11 6.13 23.77 30.57 133.16 21.40 -141.78 143.63 22.91 76.90 0.19 14.91 7.92 1.10 0.04 0.17 0.00 74.39 1.46 49 V E E 16.56 24.59 13.00 37.06 123.69 -165.25 -125.36 131.59 19.07 80.85 0.09 18.12 0.83 0.06 0.07 0.04 0.00 70.78 10.10 50 D C C 58.37 7.35 23.36 30.78 126.20 -138.72 -88.34 169.43 80.77 19.12 0.12 79.73 1.22 0.07 0.07 0.03 0.00 18.07 0.80 51 T H H 81.02 8.58 19.53 28.83 91.54 -94.77 -60.63 -35.51 3.66 0.01 96.33 0.32 0.41 2.67 96.12 0.47 0.00 0.00 0.00 52 G H H 30.96 7.12 22.66 30.27 91.39 54.37 -63.65 -39.74 1.39 0.00 98.61 0.10 0.09 1.04 98.36 0.40 0.00 0.00 0.00 53 G H H 2.89 23.31 18.47 41.71 92.02 51.11 -65.12 -41.12 0.61 0.00 99.39 0.11 0.05 0.34 99.17 0.33 0.00 0.00 0.00 54 L H H 24.61 20.24 21.74 40.86 91.47 51.94 -63.55 -42.03 0.17 0.00 99.83 0.02 0.01 0.08 99.84 0.05 0.00 0.00 0.00 55 A H H 48.62 5.53 26.30 32.12 91.43 52.15 -63.41 -41.68 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 56 L H H 29.96 15.86 23.54 39.10 91.44 50.56 -64.74 -42.53 0.10 0.00 99.90 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 L H H 1.68 27.48 20.99 48.87 91.15 50.32 -63.66 -42.76 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 58 L H H 52.63 12.98 24.79 37.50 91.36 51.21 -62.89 -41.95 0.05 0.00 99.95 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 59 H H H 85.07 6.18 26.38 32.98 91.55 50.31 -64.44 -41.87 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 60 L H H 7.35 22.58 21.34 43.55 91.48 49.86 -64.20 -43.34 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 61 I H H 17.28 20.36 20.71 40.48 91.34 49.51 -63.37 -43.01 0.13 0.00 99.87 0.01 0.00 0.06 99.90 0.01 0.00 0.00 0.00 62 D H H 73.84 3.68 24.96 28.04 91.49 50.06 -64.04 -41.47 0.33 0.00 99.67 0.04 0.01 0.18 99.74 0.03 0.00 0.00 0.00 63 L H H 41.43 8.79 20.73 30.89 91.77 49.84 -64.57 -41.89 0.62 0.00 99.37 0.06 0.04 0.40 99.41 0.09 0.00 0.00 0.00 64 A H H 5.38 20.69 13.12 34.35 91.55 51.08 -63.65 -42.15 1.41 0.01 98.58 0.23 0.12 0.88 98.44 0.33 0.00 0.00 0.00 65 K H H 118.63 6.37 16.83 24.63 91.46 51.19 -63.39 -39.87 3.09 0.02 96.89 0.37 0.18 2.36 95.88 1.19 0.00 0.01 0.00 66 K H H 156.61 1.21 17.40 17.92 91.01 53.66 -66.29 -28.13 11.29 0.03 88.67 0.45 0.46 10.64 87.32 1.08 0.02 0.01 0.02 67 Q C T 94.91 7.05 13.43 21.88 94.51 50.67 -89.62 0.68 77.70 0.05 22.25 0.46 1.44 75.44 21.45 1.15 0.00 0.02 0.04 68 G C T 58.87 1.31 18.67 18.82 96.86 -103.47 84.02 13.31 99.79 0.02 0.19 1.49 1.50 96.90 0.06 0.03 0.00 0.01 0.00 69 N C C 43.40 16.38 10.57 26.50 123.20 133.72 -93.87 152.01 97.69 2.27 0.04 96.40 1.30 0.13 0.01 0.02 0.00 2.04 0.09 70 N E E 91.58 4.55 24.35 29.23 117.29 -132.30 -99.61 131.94 35.64 64.28 0.08 33.73 1.08 0.12 0.01 0.05 0.00 64.59 0.40 71 V E E 10.65 25.31 13.30 38.76 123.13 -163.41 -116.35 134.06 7.67 92.32 0.01 7.16 0.29 0.01 0.00 0.01 0.00 92.41 0.11 72 T E E 52.08 8.22 27.14 36.08 125.27 -171.20 -123.16 137.58 0.60 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.02 73 L E E 19.90 23.61 15.73 39.06 117.22 -152.23 -106.46 125.49 0.63 99.36 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.31 0.06 74 Q E E 84.05 8.06 21.26 30.05 127.73 -172.19 -121.95 145.48 9.49 90.42 0.09 5.69 2.69 0.96 0.01 0.08 0.00 90.36 0.22 75 G C S 49.44 3.30 21.76 25.39 93.69 17.87 74.26 14.86 85.16 14.75 0.09 12.74 64.25 6.27 0.01 0.10 0.00 16.35 0.28 76 V C C 23.76 22.60 9.00 30.03 118.50 152.47 -87.74 140.17 92.00 7.65 0.35 82.42 9.24 0.57 0.14 0.23 0.00 5.91 1.49 77 N C C 71.55 4.93 18.96 24.39 121.62 -122.42 -78.51 165.31 98.99 0.54 0.47 97.62 1.28 0.24 0.36 0.06 0.00 0.19 0.25 78 D H H 114.64 2.37 15.99 19.56 91.12 -101.17 -59.76 -35.91 6.62 0.01 93.37 0.65 1.14 4.57 92.95 0.67 0.01 0.00 0.01 79 K H H 123.51 3.13 18.64 22.21 91.62 54.05 -64.27 -40.17 4.52 0.01 95.47 0.32 0.41 3.71 94.81 0.72 0.01 0.00 0.00 80 V H H 11.25 20.87 14.09 34.97 92.29 48.81 -65.21 -42.43 1.94 0.01 98.05 0.33 0.19 1.29 97.58 0.60 0.00 0.01 0.00 81 Y H H 72.96 14.17 17.28 31.32 91.62 51.58 -62.22 -42.44 0.86 0.01 99.13 0.23 0.09 0.41 99.10 0.17 0.00 0.00 0.00 82 T H H 73.56 1.95 22.52 22.59 91.50 49.63 -63.44 -42.72 0.87 0.01 99.12 0.19 0.07 0.48 99.14 0.13 0.00 0.00 0.00 83 L H H 40.36 10.52 18.75 30.54 91.94 49.20 -64.83 -42.17 0.59 0.00 99.40 0.08 0.04 0.36 99.31 0.19 0.00 0.00 0.00 84 A H H 4.96 22.57 12.61 35.30 91.31 51.39 -63.85 -41.73 0.98 0.00 99.02 0.13 0.07 0.64 98.60 0.56 0.00 0.00 0.00 85 K H H 131.07 3.92 18.35 23.45 91.81 51.29 -64.47 -39.04 3.72 0.01 96.28 0.17 0.13 3.29 95.35 1.04 0.00 0.00 0.00 86 L H H 111.77 2.61 17.33 20.08 91.76 52.92 -66.97 -32.63 9.38 0.01 90.61 0.27 0.39 8.86 89.62 0.83 0.01 0.00 0.01 87 Y C T 76.24 12.54 12.90 26.10 97.29 45.16 -95.70 5.30 71.53 0.15 28.32 1.91 5.37 62.19 28.72 1.60 0.01 0.05 0.15 88 N C T 128.60 1.73 19.72 21.01 94.64 -117.88 59.27 42.43 99.61 0.02 0.37 9.47 2.17 88.09 0.17 0.08 0.00 0.01 0.01 89 L C C 24.99 21.73 9.01 29.38 116.34 172.79 -82.54 135.57 99.55 0.15 0.30 98.29 1.21 0.15 0.12 0.06 0.00 0.04 0.13 90 P C C 54.95 6.98 17.18 25.55 113.39 -106.63 -67.03 149.27 86.25 0.30 13.46 81.47 1.59 2.55 1.34 12.78 0.00 0.13 0.14 91 A H G 80.31 5.37 14.51 21.80 93.34 -114.38 -62.04 -26.98 36.51 0.30 63.20 3.20 5.14 25.32 1.72 64.36 0.00 0.16 0.09 92 D H G 101.30 3.49 17.42 21.67 92.40 64.06 -76.90 -9.06 34.73 0.66 64.61 4.45 4.22 23.66 1.77 65.32 0.00 0.42 0.15 93 V H G 28.72 18.64 11.87 30.19 97.79 73.24 -83.22 -4.66 46.95 5.51 47.54 25.49 11.95 10.18 3.63 43.58 0.01 2.77 2.38 94 L C C 56.99 13.69 14.06 28.14 115.26 98.23 -91.52 126.00 93.67 5.90 0.42 55.51 38.02 0.77 0.17 0.26 0.00 2.96 2.31 95 P C C 64.11 9.50 13.43 24.22 112.81 -116.55 -66.88 147.84 96.50 3.21 0.28 95.42 0.96 0.68 0.09 0.11 0.00 1.64 1.10 96 R C C 159.94 4.73 14.93 21.43 112.75 -120.03 -85.09 130.41 99.81 0.18 0.01 99.75 0.10 0.04 0.00 0.00 0.00 0.07 0.03