# 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 95.41 8.91 12.32 22.16 114.75 -163.57 -96.05 129.36 99.91 0.07 0.02 99.85 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 R C C 152.92 3.93 10.72 16.45 113.02 -148.45 -89.76 130.45 88.20 4.97 6.83 83.54 1.45 3.98 3.81 2.15 0.00 2.52 2.56 2 H C C 124.24 4.93 8.99 15.60 111.39 -143.57 -90.08 124.56 83.23 4.78 11.99 59.49 12.27 11.34 5.29 6.65 0.00 2.74 2.22 3 L C C 108.41 4.78 9.54 15.94 111.50 -134.81 -89.21 123.41 79.85 3.10 17.05 46.20 17.81 16.07 6.54 10.30 0.01 1.62 1.47 4 K C C 138.65 3.81 10.25 15.77 109.07 -148.22 -89.26 106.00 78.90 3.07 18.03 44.39 17.81 16.99 7.16 10.50 0.01 1.50 1.65 5 S C C 76.64 4.19 10.27 16.13 111.86 -132.64 -89.53 124.53 82.00 2.10 15.90 32.98 19.43 30.30 6.32 8.81 0.01 1.00 1.15 6 G C C 49.91 4.32 11.84 17.59 110.16 17.98 84.38 17.36 84.86 2.14 13.00 32.72 25.44 27.41 4.61 7.72 0.01 1.03 1.06 7 R C C 138.09 5.59 11.51 18.68 112.94 104.60 -89.84 129.00 81.11 5.50 13.39 57.22 15.17 8.39 6.69 6.91 0.01 3.05 2.54 8 K C C 125.26 5.07 13.16 19.79 112.77 -141.97 -89.25 125.20 80.60 7.64 11.76 63.69 9.94 6.35 6.76 5.16 0.00 4.53 3.56 9 L C C 76.98 11.45 9.99 21.65 102.82 -140.32 -80.65 9.82 83.68 4.17 12.14 53.34 13.77 16.74 5.84 6.09 0.00 2.42 1.80 10 N C C 125.32 1.97 14.49 16.88 99.64 61.82 -81.47 21.75 88.18 1.91 9.92 44.17 23.45 21.03 4.45 5.06 0.00 0.94 0.90 11 R C C 102.53 8.03 9.98 19.54 119.98 109.88 -96.55 152.78 88.90 1.92 9.17 44.73 37.35 7.04 5.87 2.99 0.00 0.75 1.27 12 H C C 120.02 2.34 15.32 17.72 116.60 -98.16 -76.87 155.05 91.51 1.62 6.87 74.56 14.00 2.63 5.97 1.18 0.00 0.57 1.10 13 S H H 64.18 7.61 11.59 20.54 94.71 -107.50 -60.76 -39.96 9.48 0.05 90.47 3.37 2.45 3.58 89.57 0.98 0.00 0.02 0.03 14 S H H 78.81 1.83 15.85 17.61 92.68 53.47 -64.94 -38.56 5.35 0.03 94.62 1.27 0.78 3.03 93.88 1.00 0.01 0.01 0.02 15 H H H 99.48 4.10 16.77 21.63 92.61 49.50 -66.60 -40.05 2.35 0.02 97.63 0.94 0.29 1.08 96.76 0.91 0.00 0.01 0.01 16 R H H 48.94 15.73 14.67 30.46 91.76 51.28 -64.25 -42.17 0.82 0.00 99.17 0.31 0.09 0.37 98.94 0.29 0.00 0.00 0.00 17 L H H 60.13 11.73 18.79 30.86 91.49 50.87 -63.24 -41.25 0.50 0.00 99.50 0.15 0.04 0.25 99.43 0.12 0.00 0.00 0.00 18 A H H 51.00 3.45 22.72 25.75 91.48 50.76 -63.39 -41.61 0.40 0.00 99.60 0.11 0.03 0.21 99.58 0.08 0.00 0.00 0.00 19 L H H 44.93 11.54 21.45 33.42 91.91 49.88 -64.70 -41.85 0.31 0.00 99.69 0.06 0.02 0.18 99.69 0.05 0.00 0.00 0.00 20 Y H H 16.11 22.80 19.44 41.55 91.65 50.10 -64.00 -42.79 0.16 0.00 99.84 0.03 0.01 0.10 99.85 0.03 0.00 0.00 0.00 21 R H H 96.56 12.20 23.42 35.05 91.29 51.43 -62.47 -42.34 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 22 N H H 80.62 4.26 26.94 31.21 91.57 49.36 -64.97 -41.05 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 23 Q H H 18.69 19.13 22.77 41.32 91.82 50.11 -64.66 -42.21 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 24 A H H 3.58 24.68 20.93 45.40 91.48 50.47 -63.67 -42.11 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 25 K H H 87.50 8.22 26.33 34.73 91.40 51.47 -63.42 -42.05 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.03 0.00 0.00 0.00 26 S H H 26.44 8.34 23.74 33.39 91.39 51.09 -63.86 -41.20 0.38 0.00 99.62 0.04 0.02 0.25 99.62 0.06 0.00 0.00 0.00 27 L H H 5.09 23.96 17.57 41.63 91.48 51.18 -64.21 -42.17 0.31 0.00 99.69 0.03 0.02 0.22 99.61 0.12 0.00 0.00 0.00 28 L H H 39.55 18.10 18.73 36.03 92.88 48.01 -66.77 -40.57 0.78 0.00 99.22 0.05 0.04 0.65 99.03 0.22 0.00 0.00 0.00 29 T H H 89.78 3.17 21.69 24.80 96.60 41.16 -77.47 -39.03 3.89 0.00 96.10 0.10 0.20 3.56 95.92 0.21 0.00 0.00 0.00 30 H H H 98.95 5.95 18.78 25.29 100.21 24.35 -103.67 -13.54 15.11 0.06 84.83 1.93 2.79 10.30 84.58 0.31 0.02 0.01 0.05 31 G C S 27.06 14.40 16.37 30.50 95.99 -130.26 72.40 7.39 98.93 0.92 0.14 22.61 72.58 3.82 0.05 0.09 0.00 0.74 0.11 32 R E E 98.44 7.71 23.28 32.12 137.67 54.03 -142.45 151.50 43.94 55.83 0.23 33.78 7.37 1.66 0.04 0.19 0.00 56.36 0.59 33 I E E 9.41 24.67 16.00 40.95 126.94 -165.66 -129.95 136.03 24.37 75.58 0.05 23.44 0.65 0.05 0.02 0.03 0.00 74.83 0.98 34 T E E 62.68 9.19 26.37 36.02 120.07 -159.53 -111.94 132.04 15.36 84.60 0.04 14.93 0.57 0.05 0.02 0.02 0.00 83.72 0.70 35 T E E 13.04 21.25 16.05 37.10 140.23 157.88 -147.13 164.88 35.61 64.35 0.04 33.25 1.70 0.08 0.01 0.02 0.00 64.17 0.77 36 T C C 59.39 7.23 23.25 30.59 119.29 -104.66 -83.75 154.74 85.65 14.18 0.17 76.55 8.43 0.36 0.07 0.09 0.00 13.72 0.77 37 V H H 58.52 13.97 16.36 30.13 97.57 -105.98 -62.72 -40.80 16.82 0.19 82.99 4.85 6.06 6.48 80.89 1.54 0.03 0.07 0.09 38 P H H 77.81 2.84 22.49 24.53 92.06 51.32 -63.11 -39.42 10.23 0.05 89.72 1.35 1.34 7.36 87.52 2.35 0.04 0.02 0.02 39 K H H 59.18 12.33 19.41 32.05 92.30 48.83 -66.89 -38.67 5.43 0.04 94.53 1.09 0.62 3.61 91.98 2.66 0.01 0.02 0.01 40 A H H 3.43 24.65 13.91 38.75 91.48 52.77 -63.25 -41.76 1.50 0.01 98.49 0.41 0.17 0.79 96.99 1.63 0.00 0.01 0.00 41 K H H 119.52 5.05 22.95 28.84 91.32 52.34 -64.11 -38.53 2.19 0.01 97.80 0.21 0.14 1.71 95.81 2.11 0.00 0.01 0.00 42 E H H 101.15 4.75 24.00 28.83 91.96 50.54 -67.74 -35.41 6.09 0.01 93.90 0.22 0.24 5.73 91.93 1.86 0.01 0.00 0.00 43 L H H 4.68 24.80 16.80 41.65 94.19 49.09 -76.64 -27.94 8.16 0.02 91.83 0.54 0.50 7.00 90.99 0.95 0.01 0.01 0.01 44 R H H 81.37 17.86 19.72 35.88 92.07 70.63 -59.10 -43.26 1.45 0.00 98.54 0.27 0.10 0.81 98.31 0.51 0.00 0.00 0.00 45 G H H 38.70 2.92 25.52 27.61 91.45 51.09 -63.89 -40.17 1.14 0.00 98.86 0.12 0.05 0.80 98.45 0.58 0.00 0.00 0.00 46 F H H 42.11 14.80 22.06 36.63 92.11 49.70 -66.40 -41.08 0.41 0.00 99.59 0.05 0.02 0.25 99.36 0.32 0.00 0.00 0.00 47 V H H 1.80 27.03 18.19 45.81 91.25 51.06 -63.34 -43.59 0.11 0.00 99.89 0.01 0.01 0.06 99.89 0.04 0.00 0.00 0.00 48 D H H 62.12 9.94 24.41 34.34 91.14 51.78 -62.29 -41.51 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 49 H H H 94.01 5.18 26.49 31.95 91.62 50.07 -64.72 -41.22 0.21 0.00 99.79 0.01 0.00 0.14 99.83 0.02 0.00 0.00 0.00 50 L H H 4.26 24.33 20.84 44.90 91.52 49.78 -64.25 -43.39 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.03 0.00 0.00 0.00 51 I H H 14.12 21.51 21.75 42.54 91.26 49.58 -63.65 -42.36 0.24 0.00 99.76 0.01 0.01 0.19 99.72 0.07 0.00 0.00 0.00 52 H H H 101.06 3.54 26.92 30.03 91.57 50.14 -63.70 -42.32 0.95 0.00 99.04 0.06 0.06 0.82 98.79 0.27 0.00 0.00 0.00 53 L H H 30.87 11.28 21.53 34.02 91.56 50.13 -64.76 -40.92 1.16 0.00 98.84 0.08 0.07 0.94 97.86 1.05 0.00 0.00 0.00 54 A H H 4.08 24.04 14.45 38.70 91.17 52.82 -64.63 -38.22 4.50 0.01 95.49 0.35 0.28 3.64 92.72 3.01 0.00 0.00 0.00 55 K H H 107.35 9.17 20.27 29.81 91.69 53.81 -68.48 -32.21 17.16 0.02 82.82 0.68 0.94 15.49 80.29 2.55 0.02 0.01 0.02 56 R H H 154.34 2.01 21.34 22.22 96.19 47.37 -89.22 -10.18 31.79 0.11 68.10 3.47 5.18 22.99 66.16 2.04 0.04 0.03 0.09 57 G C C 31.26 15.59 12.58 27.09 105.13 -132.71 72.82 37.00 98.87 0.41 0.72 60.17 25.62 13.13 0.37 0.28 0.00 0.15 0.28 58 D C C 70.97 4.32 20.24 24.68 129.18 152.68 -112.80 163.57 98.72 0.76 0.51 87.86 10.28 0.34 0.44 0.08 0.00 0.16 0.83 59 L H H 98.54 7.97 15.45 24.57 92.13 -101.18 -60.48 -36.31 5.65 0.01 94.33 0.79 1.00 3.51 94.08 0.61 0.01 0.00 0.01 60 H H H 118.91 2.44 20.77 22.57 91.53 53.58 -64.25 -40.61 3.53 0.01 96.46 0.40 0.29 2.52 96.14 0.64 0.00 0.00 0.00 61 A H H 12.80 15.29 16.03 32.37 91.87 50.24 -64.74 -40.97 0.78 0.00 99.22 0.17 0.06 0.43 98.83 0.51 0.00 0.00 0.00 62 R H H 53.86 18.46 17.13 34.56 91.67 52.74 -62.55 -42.25 0.18 0.00 99.82 0.03 0.01 0.09 99.75 0.12 0.00 0.00 0.00 63 R H H 124.03 3.68 24.22 27.65 91.64 50.45 -63.89 -41.00 0.14 0.00 99.86 0.01 0.01 0.09 99.81 0.08 0.00 0.00 0.00 64 L H H 61.15 6.74 23.13 30.39 91.59 50.23 -64.28 -42.00 0.18 0.00 99.82 0.01 0.01 0.12 99.75 0.11 0.00 0.00 0.00 65 V H H 2.78 24.89 15.72 41.17 91.59 50.30 -63.59 -43.20 0.38 0.00 99.62 0.03 0.01 0.28 99.40 0.28 0.00 0.00 0.00 66 L H H 49.57 14.36 18.75 32.99 91.68 51.47 -63.59 -39.13 1.43 0.00 98.57 0.09 0.06 1.18 97.51 1.16 0.00 0.00 0.00 67 R H H 161.61 1.47 22.75 22.67 91.94 51.40 -66.43 -37.88 9.34 0.00 90.65 0.16 0.24 9.40 88.01 2.18 0.00 0.00 0.00 68 D H H 56.86 11.42 18.26 29.89 94.63 45.42 -76.97 -31.73 19.24 0.01 80.75 0.37 0.83 18.28 79.00 1.49 0.02 0.00 0.01 69 L C H 12.82 22.87 11.20 33.14 104.78 48.76 -94.94 56.49 62.06 0.73 37.21 31.92 13.13 16.52 35.92 1.64 0.01 0.17 0.69 70 Q C C 139.44 2.42 19.48 22.53 96.20 -147.58 46.50 7.85 99.08 0.16 0.76 57.51 29.79 11.79 0.49 0.24 0.00 0.06 0.13 71 D C C 61.39 8.19 14.93 24.67 110.64 94.28 -106.40 107.19 99.54 0.15 0.30 85.19 13.55 0.79 0.20 0.07 0.00 0.04 0.15 72 V H H 84.62 8.85 14.13 24.51 93.48 -168.56 -63.88 -34.16 2.64 0.00 97.36 0.52 0.51 1.21 97.48 0.27 0.00 0.00 0.00 73 K H H 137.34 1.64 21.25 21.80 91.49 55.26 -63.41 -40.98 0.79 0.00 99.21 0.06 0.05 0.55 99.10 0.23 0.00 0.00 0.00 74 L H H 20.97 15.21 17.41 33.41 91.95 48.17 -65.54 -41.86 0.26 0.00 99.74 0.03 0.01 0.16 99.60 0.20 0.00 0.00 0.00 75 V H H 6.64 22.78 15.64 38.58 91.21 51.26 -62.45 -43.74 0.05 0.00 99.95 0.01 0.00 0.02 99.95 0.02 0.00 0.00 0.00 76 R H H 114.29 5.89 23.76 30.04 91.39 50.90 -62.70 -41.87 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 77 K H H 82.17 6.15 23.81 30.29 91.42 50.23 -63.96 -42.43 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 78 L H H 2.95 25.23 17.95 43.55 91.43 48.53 -63.61 -43.60 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 79 F H H 23.57 21.12 18.91 39.17 94.47 41.64 -71.76 -37.34 0.31 0.00 99.69 0.01 0.01 0.29 99.65 0.05 0.00 0.00 0.00 80 D H H 93.38 2.96 22.55 25.29 98.91 36.29 -89.17 -35.91 4.53 0.00 95.47 0.02 0.07 5.13 94.59 0.18 0.00 0.00 0.00 81 E C T 89.92 5.91 21.22 27.70 105.84 27.13 -102.55 -41.22 53.32 0.01 46.67 0.10 0.75 53.16 45.57 0.41 0.00 0.00 0.01 82 I H H 6.31 22.45 17.30 40.10 101.36 32.43 -89.43 -39.43 41.40 0.03 58.57 0.41 1.67 39.52 56.59 1.73 0.04 0.01 0.03 83 A H H 7.40 21.41 15.26 36.82 91.45 61.44 -59.42 -44.08 4.54 0.01 95.45 0.60 0.32 3.01 61.83 34.23 0.00 0.01 0.00 84 P H H 78.23 3.19 22.41 25.19 91.00 51.48 -63.65 -35.25 2.34 0.00 97.66 0.13 0.10 1.93 60.19 37.65 0.00 0.00 0.00 85 R H H 108.30 7.74 19.91 28.21 91.75 52.45 -68.72 -28.61 2.93 0.00 97.06 0.12 0.12 2.47 62.36 34.92 0.00 0.00 0.00 86 Y H H 12.76 22.21 12.22 34.73 98.88 40.54 -104.82 3.07 23.98 0.15 75.86 1.86 2.14 17.74 50.50 27.49 0.08 0.06 0.12 87 R C T 124.66 10.66 15.43 26.99 92.60 101.21 -60.78 -32.75 95.80 0.21 3.99 3.36 3.92 88.88 2.56 1.02 0.00 0.09 0.18 88 D C T 126.19 0.84 18.93 17.68 95.13 46.21 -89.38 3.83 98.24 0.12 1.64 2.88 6.11 89.54 0.45 0.90 0.00 0.07 0.06 89 R C C 68.37 16.21 9.62 25.24 117.72 108.14 -85.35 138.53 98.50 0.75 0.75 86.09 10.96 1.35 0.23 0.47 0.00 0.30 0.59 90 Q C T 143.14 1.67 20.10 21.09 108.59 -133.04 -81.11 119.46 95.37 3.47 1.16 34.23 23.69 37.63 0.18 1.10 0.00 1.74 1.44 91 G C T 27.58 9.33 18.61 28.52 126.88 13.39 119.92 -172.31 92.05 7.24 0.71 8.77 40.81 43.00 0.04 0.82 0.00 5.82 0.75 92 G C C 16.85 16.05 19.04 34.38 127.87 -134.02 111.62 -177.76 79.52 19.83 0.65 56.05 19.42 3.70 0.08 0.77 0.00 18.70 1.27 93 Y E E 51.55 17.21 23.28 39.36 121.70 -126.61 -120.41 151.18 26.24 73.62 0.14 21.52 4.67 0.37 0.04 0.12 0.00 72.22 1.07 94 T E E 11.25 23.61 18.96 42.16 126.07 -1.03 -120.35 139.34 2.91 97.07 0.02 2.56 0.20 0.02 0.00 0.01 0.00 97.13 0.07 95 R E E 80.00 11.80 25.98 37.75 126.49 -170.43 -126.62 139.56 0.72 99.28 0.00 0.64 0.03 0.00 0.00 0.00 0.00 99.31 0.02 96 V E E 32.45 20.23 18.07 37.58 119.57 -153.09 -108.66 128.33 0.60 99.40 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 97 L E E 47.44 11.86 20.94 33.54 123.92 -170.27 -119.82 135.58 0.57 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.02 98 K E E 98.37 11.13 19.00 30.41 114.52 -139.48 -90.01 128.92 3.26 96.71 0.03 3.05 0.12 0.02 0.01 0.01 0.00 96.68 0.12 99 L E E 46.57 13.99 15.20 29.69 118.51 -171.64 -106.58 140.45 34.84 64.38 0.79 30.92 2.85 0.63 0.26 0.41 0.00 64.20 0.74 100 A C C 55.80 7.94 16.14 25.12 116.20 -127.93 -90.99 141.52 56.77 40.13 3.10 45.33 8.58 2.75 1.10 1.82 0.00 38.62 1.79 101 E C C 86.14 9.43 13.41 23.99 123.73 -154.79 -112.64 144.54 64.33 29.22 6.45 49.19 10.45 4.61 2.71 3.85 0.01 25.97 3.21 102 R C C 149.87 4.36 13.06 19.17 113.70 -123.54 -91.00 127.87 63.85 27.60 8.55 46.38 11.02 6.04 3.59 5.23 0.04 21.92 5.78 103 R C C 118.94 7.21 9.00 17.77 116.51 -159.04 -101.52 132.66 67.04 25.23 7.73 46.92 12.44 6.90 3.23 4.83 0.05 16.78 8.85 104 R C T 182.05 1.71 10.09 13.19 108.01 -108.79 -71.83 124.54 81.81 7.17 11.01 17.75 21.00 43.64 2.14 8.35 0.04 4.45 2.64 105 G C T 66.67 0.56 11.93 11.29 101.81 10.84 79.78 -9.21 88.25 1.41 10.34 9.86 22.89 55.00 1.08 9.64 0.01 0.80 0.72 106 D C T 88.39 5.12 9.79 16.32 106.74 58.16 -96.73 21.08 84.98 4.86 10.16 18.22 28.90 37.82 1.08 9.27 0.02 2.72 1.98 107 G C C 50.42 3.95 14.08 19.27 98.21 -131.09 49.96 9.79 88.12 9.57 2.31 35.35 31.74 21.50 0.28 2.35 0.00 6.47 2.30 108 A C C 28.65 11.73 13.21 26.50 119.52 134.55 -83.21 146.61 84.79 15.03 0.18 63.93 20.82 0.73 0.04 0.17 0.00 12.22 2.09 109 P C C 38.38 11.63 18.75 31.40 114.65 -106.62 -67.32 146.88 72.91 27.00 0.08 68.58 3.09 0.28 0.02 0.07 0.00 26.62 1.33 110 L E E 35.37 16.19 20.16 36.23 126.93 -154.42 -118.94 146.98 15.46 84.51 0.03 13.99 1.13 0.07 0.01 0.02 0.00 83.77 1.01 111 A E E 5.88 21.94 19.18 41.30 127.01 -152.15 -118.29 144.70 2.26 97.74 0.00 2.10 0.10 0.00 0.00 0.00 0.00 97.74 0.06 112 L E E 35.73 12.22 26.00 39.07 118.39 -146.00 -106.47 130.19 0.79 99.21 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.23 0.01 113 V E E 3.50 25.60 18.49 44.90 120.42 -163.42 -111.92 130.54 0.48 99.52 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 114 E E E 57.73 10.48 26.71 37.65 123.45 -167.72 -118.11 134.24 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 115 L E E 20.84 20.97 16.58 37.55 115.54 -131.27 -88.17 130.53 2.21 97.78 0.01 2.13 0.05 0.00 0.00 0.00 0.00 97.69 0.11 116 V E E 41.07 11.51 17.44 30.37 120.64 -161.87 -108.81 137.68 29.54 70.41 0.05 29.36 0.27 0.05 0.02 0.02 0.00 69.39 0.90 117 E C C 119.68 5.89 17.98 24.98 110.03 -114.97 -76.64 129.15 98.96 1.03 0.00 99.01 0.09 0.01 0.00 0.00 0.00 0.87 0.02