# 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 97.22 8.92 11.80 21.67 116.01 -152.99 -90.82 133.05 99.93 0.05 0.01 99.89 0.05 0.03 0.01 0.00 0.00 0.02 0.01 1 K C C 140.88 3.48 10.78 16.09 113.16 -143.81 -87.96 127.02 90.29 4.02 5.69 85.79 1.12 4.36 3.14 1.61 0.00 1.93 2.05 2 H C C 126.47 5.14 9.14 15.96 112.20 -142.62 -91.80 126.70 84.59 3.83 11.58 56.99 13.65 14.00 5.83 5.61 0.00 2.13 1.80 3 G C C 47.04 4.90 11.14 17.55 110.49 -117.57 -47.83 86.94 78.23 2.67 19.10 47.98 15.34 14.92 9.00 10.07 0.01 1.41 1.27 4 R C C 140.79 5.23 10.91 17.74 111.01 -118.61 -89.10 119.06 71.48 2.90 25.62 43.05 15.43 13.01 14.48 11.17 0.01 1.54 1.31 5 K C C 129.12 4.72 12.49 18.71 106.71 -145.04 -86.79 82.55 68.38 4.01 27.62 44.27 13.52 10.56 17.89 9.85 0.02 2.29 1.59 6 I C C 77.26 10.41 10.56 21.53 108.84 111.83 -89.48 102.75 61.31 3.29 35.39 40.96 13.47 7.26 24.40 10.84 0.02 1.88 1.17 7 H C C 119.56 4.86 13.82 20.00 105.58 66.51 -77.62 75.10 62.12 2.98 34.90 43.83 9.03 9.02 21.67 13.55 0.00 1.90 0.99 8 R C C 135.71 5.61 14.00 20.72 105.20 62.36 -85.29 50.92 62.87 3.26 33.87 42.93 9.27 10.59 17.68 16.26 0.01 1.93 1.33 9 L C T 66.77 12.78 9.83 22.48 98.63 122.77 -74.91 -11.22 74.75 1.52 23.73 30.49 12.77 32.58 12.87 9.65 0.01 0.74 0.89 10 S C T 92.51 1.52 15.15 16.57 96.94 61.23 -85.75 2.78 90.80 0.64 8.56 31.82 19.94 39.74 3.51 4.31 0.00 0.29 0.38 11 R C S 91.99 7.36 9.84 19.18 123.14 101.37 -91.35 153.07 99.02 0.52 0.46 30.22 68.28 0.66 0.29 0.10 0.00 0.16 0.29 12 P C C 79.59 2.22 16.11 18.05 114.58 -98.27 -63.61 150.61 98.13 0.56 1.31 95.05 2.60 0.63 1.03 0.17 0.00 0.18 0.33 13 A H H 60.20 9.04 10.49 20.77 92.10 -109.55 -57.25 -39.95 4.60 0.01 95.39 1.39 0.81 2.22 94.42 1.14 0.00 0.00 0.01 14 D H H 110.13 1.32 15.93 16.76 91.85 52.69 -64.54 -38.09 2.71 0.01 97.28 0.55 0.30 1.65 96.26 1.23 0.00 0.00 0.00 15 Q H H 96.20 2.96 16.57 19.85 92.44 49.26 -67.20 -39.33 1.03 0.01 98.97 0.34 0.11 0.51 98.04 1.00 0.00 0.00 0.00 16 R H H 51.61 15.37 13.37 28.86 91.93 51.34 -63.89 -42.04 0.43 0.00 99.56 0.14 0.04 0.20 99.41 0.20 0.00 0.00 0.00 17 R H H 100.94 10.72 18.39 29.39 91.37 51.20 -62.77 -41.21 0.23 0.00 99.76 0.06 0.01 0.12 99.74 0.07 0.00 0.00 0.00 18 A H H 57.22 2.73 22.27 24.05 91.46 50.76 -63.54 -41.37 0.20 0.00 99.80 0.04 0.01 0.11 99.79 0.05 0.00 0.00 0.00 19 L H H 58.55 9.58 21.57 31.65 91.91 49.84 -64.80 -41.78 0.23 0.00 99.77 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 20 L H H 10.31 22.92 18.41 40.89 91.38 50.28 -63.68 -42.65 0.21 0.00 99.79 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 21 R H H 100.74 11.83 22.99 34.38 91.22 51.88 -62.04 -42.27 0.25 0.00 99.75 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 22 G H H 33.54 3.92 25.73 29.51 91.38 50.46 -64.00 -41.47 0.83 0.00 99.17 0.06 0.04 0.63 99.21 0.06 0.00 0.00 0.00 23 L H H 18.45 17.74 22.29 39.83 91.67 49.61 -64.32 -42.58 1.40 0.00 98.60 0.07 0.06 1.11 98.70 0.06 0.00 0.00 0.00 24 T H H 5.22 24.46 20.76 44.84 91.53 50.10 -63.44 -42.98 0.57 0.00 99.43 0.06 0.03 0.35 99.52 0.03 0.00 0.00 0.00 25 T H H 47.53 9.15 24.86 34.21 91.51 50.90 -63.90 -42.35 0.29 0.00 99.71 0.05 0.02 0.16 99.75 0.03 0.00 0.00 0.00 26 Q H H 64.36 6.35 24.67 31.70 91.63 50.46 -64.53 -41.60 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 27 L H H 5.46 23.01 17.38 40.66 91.22 50.76 -63.79 -43.00 0.17 0.00 99.83 0.02 0.01 0.11 99.76 0.10 0.00 0.00 0.00 28 L H H 34.55 19.09 18.37 36.64 92.33 47.63 -65.90 -40.60 0.38 0.00 99.62 0.02 0.02 0.32 99.43 0.21 0.00 0.00 0.00 29 K H H 127.98 3.79 21.38 25.23 96.26 41.60 -75.64 -38.91 2.44 0.00 97.56 0.07 0.10 2.32 97.31 0.20 0.00 0.00 0.00 30 H H H 105.73 4.73 19.24 24.33 99.60 25.00 -102.87 -14.44 10.67 0.03 89.30 0.64 1.37 8.32 89.40 0.22 0.01 0.01 0.02 31 G C S 26.63 14.02 15.77 29.78 95.73 -127.41 74.88 7.78 99.05 0.79 0.15 25.49 68.60 5.02 0.06 0.09 0.00 0.63 0.10 32 R C E 104.33 6.80 22.85 30.86 136.45 58.57 -139.38 150.14 52.47 47.34 0.19 42.38 8.16 1.23 0.05 0.18 0.00 46.86 1.14 33 I E E 12.21 24.25 14.41 38.67 127.35 -167.37 -130.56 137.79 32.34 67.59 0.07 31.65 0.76 0.08 0.03 0.03 0.00 66.26 1.19 34 K E E 117.15 5.48 25.40 31.85 117.72 -155.79 -110.37 130.31 23.18 76.78 0.05 21.37 1.55 0.09 0.02 0.02 0.00 76.15 0.80 35 T E E 16.72 20.78 13.65 33.99 139.76 154.40 -147.30 167.16 34.90 65.07 0.04 30.46 4.30 0.08 0.02 0.02 0.00 63.99 1.13 36 T C C 62.74 5.05 22.05 26.97 118.79 -95.07 -74.34 160.24 71.07 28.85 0.09 70.17 1.63 0.06 0.06 0.03 0.00 26.74 1.32 37 R H H 137.41 8.59 15.41 25.24 91.70 -108.25 -58.31 -38.73 1.56 0.00 98.44 0.18 0.22 0.96 98.41 0.23 0.00 0.00 0.00 38 A H H 69.13 2.24 22.10 23.28 91.54 52.85 -63.57 -41.32 0.98 0.00 99.02 0.08 0.08 0.70 98.90 0.24 0.00 0.00 0.00 39 K H H 60.38 13.50 19.73 33.03 92.22 47.36 -66.92 -39.86 0.41 0.00 99.59 0.06 0.03 0.26 99.42 0.24 0.00 0.00 0.00 40 A H H 4.29 23.07 15.38 38.75 91.24 52.02 -62.24 -43.00 0.12 0.00 99.88 0.01 0.00 0.06 99.85 0.07 0.00 0.00 0.00 41 S H H 56.25 4.68 25.14 29.83 91.45 50.71 -63.69 -40.98 0.28 0.00 99.72 0.01 0.01 0.21 99.69 0.08 0.00 0.00 0.00 42 A H H 35.68 6.74 23.80 31.42 91.54 50.52 -64.25 -42.18 1.01 0.00 98.99 0.02 0.02 0.91 98.93 0.11 0.00 0.00 0.00 43 M H H 4.28 25.13 18.62 43.67 92.08 49.18 -65.85 -40.16 2.03 0.00 97.97 0.09 0.08 1.65 98.08 0.10 0.00 0.00 0.00 44 R H H 83.00 17.01 21.79 36.93 91.29 55.41 -61.09 -42.64 0.44 0.00 99.56 0.07 0.02 0.20 99.65 0.05 0.00 0.00 0.00 45 K H H 126.59 2.09 26.33 27.35 91.60 50.48 -64.26 -40.92 0.28 0.00 99.72 0.02 0.01 0.17 99.70 0.09 0.00 0.00 0.00 46 Y H H 50.77 14.21 22.62 36.61 92.13 48.86 -65.89 -41.61 0.24 0.00 99.75 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 47 V H H 2.05 26.72 18.34 45.51 91.22 50.64 -62.81 -43.42 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 48 D H H 60.31 10.09 24.26 34.39 91.17 51.79 -62.57 -41.28 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 49 K H H 103.70 4.47 26.77 31.41 91.67 50.25 -64.58 -40.99 0.45 0.00 99.55 0.01 0.01 0.34 99.61 0.03 0.00 0.00 0.00 50 M H H 6.80 23.15 20.99 43.78 91.58 49.82 -64.08 -43.35 0.30 0.00 99.70 0.01 0.01 0.21 99.72 0.04 0.00 0.00 0.00 51 I H H 13.00 21.84 21.43 42.58 91.33 49.72 -63.73 -42.29 0.39 0.00 99.60 0.04 0.02 0.28 99.50 0.15 0.00 0.00 0.00 52 T H H 67.74 3.77 26.57 29.97 91.59 50.64 -63.45 -42.74 1.03 0.00 98.96 0.12 0.08 0.79 98.55 0.46 0.00 0.00 0.00 53 L H H 35.79 10.57 21.80 33.52 91.59 49.94 -64.96 -40.72 1.14 0.00 98.86 0.11 0.08 0.85 97.79 1.17 0.00 0.00 0.00 54 A H H 4.08 23.97 14.27 38.48 91.26 53.26 -65.07 -37.23 3.67 0.01 96.32 0.43 0.28 2.71 94.21 2.36 0.00 0.00 0.00 55 K H H 106.71 9.63 20.13 29.96 91.97 53.97 -67.87 -30.97 13.93 0.02 86.05 0.73 0.86 12.21 84.26 1.90 0.01 0.01 0.01 56 E H H 134.03 1.78 21.48 21.90 97.97 44.35 -92.09 -5.35 28.96 0.08 70.96 3.29 4.60 20.52 70.15 1.33 0.03 0.02 0.06 57 G C C 26.02 15.97 11.11 25.93 116.85 123.35 11.73 158.79 99.04 0.30 0.67 56.07 33.38 9.63 0.36 0.25 0.00 0.10 0.21 58 S C C 54.71 3.30 20.18 22.97 128.21 -144.38 -103.91 167.89 97.57 1.68 0.75 75.48 21.14 0.43 0.66 0.12 0.00 0.29 1.88 59 L H H 102.65 6.91 14.09 22.50 91.62 -96.66 -59.31 -37.74 5.11 0.01 94.88 0.73 1.15 3.03 94.45 0.62 0.01 0.00 0.01 60 H H H 131.13 1.51 18.82 19.22 91.68 52.53 -64.14 -40.81 3.07 0.01 96.92 0.37 0.30 2.15 96.48 0.69 0.00 0.00 0.00 61 K H H 61.30 10.92 16.17 28.08 92.18 48.93 -65.94 -40.05 0.79 0.00 99.21 0.18 0.08 0.43 98.74 0.57 0.00 0.00 0.00 62 R H H 55.15 18.08 14.92 32.18 91.71 52.53 -62.58 -41.93 0.26 0.00 99.74 0.05 0.02 0.13 99.63 0.17 0.00 0.00 0.00 63 R H H 133.49 3.51 22.71 26.27 91.50 50.42 -64.24 -40.44 0.22 0.00 99.78 0.02 0.01 0.14 99.71 0.13 0.00 0.00 0.00 64 Q H H 89.27 4.53 23.29 27.72 91.63 50.15 -64.64 -41.02 0.34 0.00 99.66 0.03 0.01 0.24 99.50 0.23 0.00 0.00 0.00 65 A H H 3.40 23.47 15.49 39.33 91.59 50.60 -63.94 -41.75 0.84 0.00 99.16 0.06 0.04 0.65 98.59 0.67 0.00 0.00 0.00 66 L H H 54.90 15.20 18.68 33.44 91.24 52.99 -64.15 -33.10 3.45 0.00 96.54 0.14 0.13 3.11 93.30 3.31 0.00 0.00 0.00 67 G H H 48.35 2.50 22.72 24.62 91.56 57.01 -69.54 -26.56 22.43 0.01 77.56 0.32 0.52 22.59 71.96 4.59 0.01 0.00 0.01 68 F H H 70.12 12.71 18.60 31.39 97.15 45.71 -89.31 -23.17 37.99 0.04 61.97 0.87 2.07 35.04 57.89 4.05 0.03 0.02 0.04 69 I C C 10.65 23.95 11.53 34.98 118.41 64.24 -103.16 125.30 66.99 3.01 30.01 35.17 17.57 14.39 27.15 2.23 0.03 0.66 2.81 70 Y C C 152.75 4.50 20.46 25.78 97.66 -154.05 -80.55 -19.99 97.91 0.48 1.61 62.51 28.19 7.17 1.22 0.41 0.00 0.17 0.32 71 E C C 80.40 8.42 15.93 25.71 109.86 84.91 -100.65 108.93 98.99 0.29 0.72 81.56 16.05 1.35 0.55 0.16 0.00 0.08 0.26 72 K H H 117.80 8.56 14.49 24.67 93.26 -164.42 -62.88 -35.16 4.33 0.00 95.66 0.81 0.99 2.06 95.70 0.44 0.00 0.00 0.00 73 Q H H 120.27 2.26 21.13 23.10 91.34 56.91 -64.15 -39.62 1.37 0.00 98.63 0.12 0.11 0.95 98.48 0.34 0.00 0.00 0.00 74 I H H 18.47 17.41 17.61 35.26 92.26 47.64 -66.33 -42.18 0.33 0.00 99.67 0.04 0.02 0.20 99.49 0.25 0.00 0.00 0.00 75 V H H 7.15 22.32 16.95 39.44 91.16 51.31 -62.14 -44.15 0.06 0.00 99.94 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 76 H H H 89.90 6.26 24.40 30.91 91.57 50.56 -63.19 -41.83 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 77 A H H 26.44 8.36 22.95 32.61 91.33 50.63 -63.71 -42.47 0.04 0.00 99.96 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 78 L H H 3.25 25.28 18.47 43.94 91.76 49.11 -64.41 -43.30 0.12 0.00 99.88 0.00 0.00 0.10 99.85 0.05 0.00 0.00 0.00 79 F H H 33.22 20.14 19.93 38.91 93.94 43.85 -70.23 -37.30 1.08 0.00 98.92 0.02 0.03 1.05 98.72 0.18 0.00 0.00 0.00 80 A H H 65.24 3.73 23.24 26.74 97.35 41.08 -81.47 -34.76 21.64 0.00 78.36 0.12 0.31 22.80 76.16 0.60 0.00 0.00 0.00 81 E H H 83.93 7.81 21.04 29.27 102.06 30.32 -103.95 -17.38 47.77 0.01 52.22 0.66 1.19 44.89 52.27 0.98 0.00 0.00 0.01 82 V H H 4.39 24.93 14.31 39.46 93.18 82.03 -61.65 -45.06 9.69 0.03 90.28 3.53 1.53 4.36 81.58 8.97 0.00 0.01 0.02 83 P H H 38.15 15.58 17.17 32.59 91.39 52.51 -62.00 -38.99 3.62 0.01 96.37 0.70 0.28 2.12 82.20 14.68 0.00 0.00 0.00 84 E H H 134.81 1.64 22.29 22.69 92.16 49.34 -66.54 -36.61 1.78 0.00 98.21 0.16 0.12 1.27 83.68 14.76 0.00 0.00 0.00 85 R H H 100.40 9.52 18.92 28.75 93.90 47.55 -72.03 -32.86 4.94 0.01 95.05 0.28 0.35 4.04 84.71 10.61 0.01 0.00 0.00 86 Y H H 20.44 20.95 12.63 33.48 100.18 33.63 -107.70 -0.62 33.64 0.26 66.10 2.56 3.86 26.92 58.69 7.44 0.19 0.09 0.25 87 G C T 32.50 11.64 14.79 26.96 95.35 104.74 -59.70 -39.81 93.69 0.54 5.78 15.75 11.18 66.98 2.78 2.69 0.00 0.26 0.38 88 D C T 126.48 0.98 18.51 17.94 96.84 39.25 -94.97 5.12 96.35 0.48 3.17 10.22 21.77 64.31 0.48 2.71 0.00 0.27 0.24 89 R C C 84.17 13.65 11.04 24.78 117.63 109.59 -86.70 137.99 96.60 1.32 2.08 71.10 21.38 3.82 0.48 1.65 0.00 0.53 1.04 90 N C T 125.23 2.10 19.05 21.28 111.59 -129.77 -84.23 125.78 95.54 2.38 2.09 24.89 22.72 47.86 0.26 2.04 0.00 1.26 0.96 91 G C T 31.97 8.67 18.17 27.58 119.05 14.84 101.54 -10.88 94.65 3.65 1.70 12.00 30.31 52.37 0.11 1.88 0.00 2.63 0.69 92 G C C 18.29 15.68 18.26 33.37 123.00 134.95 97.39 7.11 83.58 15.29 1.12 55.07 23.00 5.31 0.13 1.37 0.00 13.60 1.51 93 Y E E 58.41 16.04 23.36 38.45 118.56 -136.07 -113.30 147.33 41.57 58.19 0.24 28.97 12.61 1.02 0.04 0.24 0.00 55.90 1.21 94 T E E 9.58 24.01 18.12 41.81 125.94 3.79 -118.85 140.14 5.61 94.37 0.02 4.99 0.45 0.03 0.00 0.01 0.00 94.38 0.13 95 R E E 81.49 11.02 25.95 37.09 129.80 -170.03 -130.01 142.58 0.84 99.16 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.02 96 I E E 38.49 20.01 17.67 36.95 119.23 -147.12 -109.03 127.77 0.49 99.51 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 97 I E E 51.25 11.38 20.19 32.55 122.81 -168.78 -118.00 133.66 0.85 99.14 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.20 0.02 98 R E E 113.53 9.52 19.23 29.32 113.52 -129.43 -84.21 127.60 4.09 95.91 0.01 3.64 0.17 0.01 0.00 0.00 0.00 96.10 0.07 99 T E E 42.03 14.87 14.32 29.14 114.73 -174.16 -104.95 126.40 21.12 78.86 0.02 18.63 1.79 0.08 0.00 0.02 0.00 79.05 0.43 100 L E E 77.49 6.08 17.77 24.78 125.61 -91.92 -117.12 146.49 35.18 64.79 0.03 29.74 4.66 0.12 0.00 0.02 0.00 64.79 0.65 101 P C C 83.70 5.95 14.50 21.81 113.99 -98.37 -66.67 145.74 51.13 48.62 0.25 48.07 2.07 0.31 0.08 0.16 0.00 46.37 2.93 102 R C C 93.06 10.38 8.61 19.89 114.94 -125.04 -86.06 135.88 72.40 26.79 0.81 64.36 5.51 1.20 0.34 0.56 0.00 19.33 8.71 103 R C T 188.21 1.23 10.88 12.94 108.74 -105.10 -67.16 130.27 87.59 5.03 7.38 10.19 27.37 49.71 0.53 7.34 0.01 3.38 1.47 104 G C T 68.70 0.32 11.60 9.86 100.18 15.29 81.28 -6.87 89.50 1.03 9.47 5.06 23.31 59.67 0.41 10.46 0.00 0.59 0.50 105 D C T 81.33 5.40 8.68 15.57 114.65 61.85 -109.77 122.48 88.25 1.47 10.29 9.99 29.37 47.11 0.48 11.54 0.00 0.78 0.74 106 N C S 127.28 1.90 13.82 16.44 96.66 -129.89 -74.88 11.55 94.47 3.69 1.85 24.71 36.10 33.67 0.15 2.03 0.00 2.50 0.84 107 A C C 31.54 10.36 12.19 24.35 120.17 123.58 -83.99 148.95 79.68 20.19 0.12 57.98 21.90 0.58 0.02 0.12 0.00 17.52 1.88 108 P E E 46.01 9.75 18.27 29.25 114.71 -105.95 -68.83 146.90 46.06 53.89 0.05 43.42 1.55 0.13 0.01 0.03 0.00 53.12 1.75 109 M E E 37.10 15.97 18.90 35.00 128.80 -150.94 -123.38 150.38 10.29 89.69 0.02 9.09 1.01 0.05 0.01 0.01 0.00 89.44 0.39 110 A E E 6.60 21.09 18.76 40.21 127.48 -153.01 -120.87 144.65 1.04 98.96 0.00 0.94 0.05 0.00 0.00 0.00 0.00 98.97 0.03 111 Y E E 53.09 11.94 25.42 38.09 118.79 -142.73 -107.19 129.86 0.35 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 112 I E E 5.44 24.80 17.88 43.24 120.85 -164.43 -113.09 130.15 0.31 99.69 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 113 E E E 64.03 9.56 25.43 35.36 122.90 -165.05 -116.00 134.31 0.42 99.58 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 114 L E E 26.50 20.22 16.11 36.15 114.36 -132.58 -85.30 128.89 4.12 95.87 0.01 4.25 0.05 0.01 0.00 0.00 0.00 95.47 0.22 115 V C C 43.26 12.36 20.28 33.15 116.88 -160.95 -103.70 128.05 96.63 3.36 0.00 96.79 0.05 0.00 0.00 0.00 0.00 3.13 0.02