# 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 96.31 8.69 12.56 22.26 116.27 -163.62 -96.52 131.03 99.91 0.07 0.02 99.86 0.06 0.03 0.01 0.00 0.00 0.03 0.01 1 R C C 152.90 3.91 10.99 16.74 114.15 -144.73 -91.65 132.21 88.73 3.26 8.01 83.65 1.34 4.78 4.51 2.41 0.00 1.79 1.53 2 H C C 120.62 5.64 8.98 16.25 113.46 -140.66 -89.96 131.52 83.82 4.05 12.13 59.80 13.26 10.73 6.06 6.03 0.00 2.30 1.81 3 R C C 147.78 4.59 10.06 16.33 111.65 -140.37 -89.54 126.95 80.92 3.61 15.47 54.66 14.99 11.20 7.73 7.77 0.00 1.96 1.69 4 K C C 136.47 4.08 11.11 16.89 110.09 -140.12 -88.90 111.07 79.88 2.80 17.32 52.51 15.13 12.10 9.99 7.38 0.00 1.42 1.47 5 S C C 70.94 5.40 11.29 18.12 111.53 -139.42 -90.58 125.93 76.78 1.63 21.59 36.17 17.23 23.90 12.16 8.83 0.01 0.74 0.97 6 G C C 42.40 6.93 12.32 20.30 107.30 24.38 41.44 -32.66 72.23 1.35 26.42 27.81 21.15 24.14 13.44 11.97 0.02 0.58 0.89 7 R C C 139.77 5.54 13.05 19.92 107.78 56.22 -84.54 86.64 65.52 3.06 31.42 39.03 14.42 12.29 17.55 13.66 0.02 1.60 1.42 8 Q C C 104.45 5.89 14.31 21.40 105.35 63.73 -85.96 75.51 64.79 5.25 29.96 45.88 9.97 8.85 18.44 11.64 0.02 3.18 2.02 9 L C C 64.90 12.88 11.27 24.10 101.73 76.14 -77.43 -6.05 67.02 3.51 29.46 43.82 11.65 11.58 19.84 9.61 0.01 1.96 1.52 10 N C C 97.96 5.31 13.92 20.43 102.54 65.29 -83.74 15.72 76.74 1.85 21.41 50.59 11.47 14.30 14.50 7.25 0.00 0.96 0.93 11 R C C 139.33 5.02 12.20 18.75 103.57 107.97 -83.04 -6.19 79.74 0.99 19.27 32.87 31.04 16.08 14.03 4.93 0.01 0.39 0.66 12 N C C 95.89 3.51 13.25 17.82 109.00 43.16 -90.33 108.89 86.87 0.90 12.24 55.96 20.70 9.88 9.61 2.87 0.00 0.33 0.64 13 S H H 62.04 6.68 11.33 19.50 97.92 -120.30 -67.89 -35.63 23.02 0.16 76.83 9.48 7.36 6.78 74.44 1.81 0.01 0.05 0.09 14 S H H 81.77 1.56 15.16 16.46 93.57 53.85 -65.72 -38.02 11.51 0.08 88.42 3.25 2.06 6.14 86.80 1.67 0.01 0.03 0.05 15 H H H 103.45 3.82 15.85 20.57 92.85 49.77 -66.74 -39.30 5.52 0.06 94.42 2.51 0.77 2.30 92.92 1.43 0.00 0.03 0.03 16 R H H 54.19 15.24 14.06 29.35 91.84 51.54 -64.05 -42.15 1.79 0.02 98.19 0.82 0.23 0.74 97.73 0.47 0.00 0.01 0.01 17 Q H H 76.67 9.90 18.77 29.20 91.54 51.01 -63.22 -41.26 0.85 0.01 99.15 0.33 0.09 0.38 99.01 0.18 0.00 0.00 0.00 18 A H H 51.56 3.06 22.13 24.60 91.40 50.46 -63.52 -41.47 0.64 0.01 99.35 0.23 0.06 0.29 99.29 0.11 0.00 0.00 0.00 19 M H H 49.73 11.36 20.64 32.61 92.00 50.01 -64.72 -42.04 0.46 0.00 99.53 0.15 0.04 0.22 99.53 0.06 0.00 0.00 0.00 20 F H H 16.67 22.26 18.51 40.16 91.46 50.03 -63.61 -42.70 0.24 0.00 99.76 0.06 0.01 0.12 99.77 0.03 0.00 0.00 0.00 21 R H H 108.50 10.09 22.86 32.92 91.31 51.33 -62.83 -41.95 0.15 0.00 99.85 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 22 N H H 87.86 3.72 26.03 29.63 91.83 48.69 -65.34 -40.83 0.30 0.00 99.70 0.04 0.01 0.20 99.72 0.03 0.00 0.00 0.00 23 M H H 21.74 18.39 22.23 40.10 91.85 49.72 -64.72 -42.54 0.47 0.00 99.53 0.05 0.02 0.32 99.56 0.05 0.00 0.00 0.00 24 A H H 6.09 23.16 20.64 43.38 91.44 50.59 -63.15 -42.47 0.52 0.00 99.48 0.06 0.03 0.33 99.52 0.06 0.00 0.00 0.00 25 G H H 24.33 8.02 24.52 33.09 91.38 52.07 -63.68 -41.27 1.09 0.00 98.91 0.14 0.07 0.73 98.83 0.22 0.00 0.00 0.00 26 S H H 31.29 8.02 23.51 32.58 91.62 51.21 -65.44 -40.20 1.65 0.00 98.35 0.20 0.11 1.21 98.04 0.43 0.00 0.00 0.00 27 L H H 5.58 23.94 17.05 41.00 91.89 51.63 -64.60 -40.85 1.87 0.01 98.12 0.25 0.15 1.40 97.46 0.73 0.00 0.01 0.00 28 V H H 40.63 17.08 18.88 35.25 92.36 50.22 -67.63 -36.26 4.94 0.03 95.03 0.45 0.38 4.01 94.30 0.82 0.02 0.02 0.02 29 R H H 151.42 2.84 22.18 24.79 94.95 45.04 -77.84 -30.68 13.90 0.04 86.06 0.70 1.04 11.96 85.67 0.57 0.02 0.01 0.02 30 H C H 81.23 10.38 17.26 27.96 111.71 32.08 -115.73 54.56 51.75 0.44 47.81 17.91 9.34 22.81 48.53 1.00 0.02 0.16 0.23 31 E C S 96.10 13.28 17.79 30.46 95.92 -149.16 -12.09 -12.09 97.32 2.23 0.45 23.41 68.39 5.64 0.16 0.25 0.00 1.91 0.23 32 I E E 61.94 10.61 22.07 33.18 130.35 46.74 -134.41 141.37 39.05 60.10 0.85 29.66 6.49 2.49 0.23 0.52 0.00 59.81 0.80 33 I E E 10.88 23.75 16.14 40.01 123.46 -168.48 -123.11 132.85 21.92 77.75 0.34 20.64 0.90 0.18 0.15 0.14 0.00 77.05 0.93 34 K E E 107.90 7.40 25.36 33.57 117.15 -157.22 -106.12 129.97 17.51 82.32 0.17 16.55 0.76 0.12 0.08 0.07 0.00 81.63 0.79 35 T E E 16.09 20.47 15.45 35.59 139.45 155.88 -146.63 164.58 38.77 61.11 0.12 35.42 2.42 0.18 0.04 0.07 0.00 60.95 0.93 36 T C C 65.23 7.07 22.42 29.57 118.31 -106.57 -87.75 152.36 84.76 15.00 0.24 73.60 10.59 0.46 0.11 0.13 0.00 14.24 0.88 37 L H H 66.76 13.26 16.09 29.17 102.82 -107.55 -67.26 -45.97 18.58 0.17 81.26 5.58 7.63 5.37 80.18 1.09 0.01 0.06 0.08 38 P H H 80.97 2.81 22.12 24.14 92.39 49.57 -63.13 -39.01 8.58 0.03 91.39 1.29 1.09 5.84 90.23 1.51 0.02 0.01 0.01 39 K H H 63.80 12.40 19.40 31.94 92.26 49.18 -67.02 -38.60 4.38 0.03 95.59 1.02 0.48 2.69 94.10 1.67 0.01 0.01 0.01 40 A H H 4.12 23.39 14.77 38.39 91.51 53.69 -62.81 -42.32 0.92 0.01 99.08 0.30 0.10 0.40 98.65 0.54 0.00 0.00 0.00 41 K H H 106.09 5.34 23.83 29.54 91.51 51.41 -63.53 -41.01 0.54 0.00 99.46 0.09 0.03 0.32 99.28 0.27 0.00 0.00 0.00 42 E H H 78.78 6.23 23.81 30.38 91.59 50.26 -64.39 -41.61 0.81 0.00 99.19 0.07 0.03 0.61 99.03 0.25 0.00 0.00 0.00 43 L H H 3.37 25.52 17.92 43.63 91.52 50.48 -64.12 -41.83 0.65 0.00 99.35 0.06 0.03 0.45 99.33 0.13 0.00 0.00 0.00 44 R H H 76.99 17.55 20.81 36.70 91.14 54.18 -61.68 -40.30 0.28 0.00 99.72 0.02 0.01 0.18 99.60 0.19 0.00 0.00 0.00 45 R H H 146.28 2.56 25.55 27.84 91.38 51.39 -66.33 -36.98 0.75 0.00 99.25 0.03 0.02 0.66 98.93 0.37 0.00 0.00 0.00 46 V H H 28.56 16.25 21.49 37.24 95.92 45.13 -76.90 -37.08 3.01 0.00 96.99 0.05 0.07 3.06 96.41 0.41 0.00 0.00 0.00 47 V H H 1.10 27.93 18.46 47.20 93.17 49.33 -70.90 -37.37 2.92 0.00 97.08 0.09 0.15 2.45 97.16 0.15 0.00 0.00 0.00 48 E H H 75.75 12.26 23.74 35.68 91.55 61.16 -59.78 -43.17 0.88 0.00 99.11 0.11 0.04 0.53 98.79 0.53 0.00 0.00 0.00 49 P H H 54.20 6.18 25.78 32.71 91.27 50.78 -64.39 -39.99 0.63 0.00 99.37 0.05 0.02 0.45 98.99 0.49 0.00 0.00 0.00 50 L H H 3.93 24.80 21.15 45.60 91.73 50.17 -64.78 -42.96 0.19 0.00 99.81 0.01 0.01 0.13 99.39 0.46 0.00 0.00 0.00 51 I H H 9.32 23.16 21.81 44.36 91.47 49.81 -63.70 -42.34 0.26 0.00 99.74 0.03 0.01 0.18 99.43 0.35 0.00 0.00 0.00 52 T H H 70.17 4.28 27.29 31.57 91.63 50.93 -63.99 -41.82 1.55 0.00 98.45 0.10 0.08 1.32 97.62 0.87 0.00 0.00 0.00 53 L H H 32.18 13.13 21.69 35.44 91.62 50.96 -65.41 -37.87 3.42 0.00 96.58 0.15 0.18 3.03 94.47 2.16 0.00 0.00 0.00 54 A H H 2.95 25.42 14.56 40.50 90.79 57.32 -68.46 -25.36 21.07 0.04 78.89 1.31 1.07 18.42 76.26 2.89 0.02 0.02 0.03 55 K C H 108.78 9.51 21.44 30.94 92.84 59.09 -78.58 -17.30 53.80 0.13 46.08 3.92 4.04 44.17 44.79 2.93 0.02 0.04 0.09 56 T C C 74.39 4.78 20.23 25.42 114.08 70.16 -105.21 129.56 80.58 0.44 18.98 35.39 28.16 15.03 19.51 1.41 0.01 0.11 0.39 57 D C C 84.47 12.66 13.57 26.22 103.78 -137.39 -83.06 61.37 98.98 0.36 0.66 75.39 20.78 2.81 0.39 0.23 0.00 0.12 0.28 58 S C C 48.25 4.31 18.82 23.78 131.65 136.86 -120.83 165.09 97.54 1.33 1.14 68.56 28.01 0.58 1.07 0.16 0.00 0.25 1.37 59 V H H 92.58 6.22 14.86 22.63 91.42 -106.10 -59.79 -37.22 4.08 0.01 95.91 0.72 0.85 2.27 95.52 0.63 0.01 0.00 0.01 60 A H H 61.61 2.85 19.31 21.92 91.39 53.54 -63.60 -40.60 2.40 0.01 97.60 0.37 0.23 1.53 97.17 0.68 0.00 0.00 0.00 61 N H H 27.08 15.20 15.83 31.53 92.18 49.47 -66.12 -39.44 0.92 0.00 99.07 0.25 0.10 0.47 98.52 0.65 0.00 0.00 0.00 62 R H H 62.25 17.75 16.88 33.61 91.69 52.91 -62.61 -41.67 0.20 0.00 99.80 0.04 0.01 0.10 99.73 0.12 0.00 0.00 0.00 63 R H H 135.78 2.99 24.07 26.70 91.48 50.56 -64.03 -40.98 0.18 0.00 99.82 0.02 0.01 0.11 99.77 0.09 0.00 0.00 0.00 64 L H H 63.00 7.22 23.13 30.81 91.64 49.84 -64.34 -42.08 0.24 0.00 99.76 0.02 0.01 0.17 99.65 0.15 0.00 0.00 0.00 65 A H H 2.04 25.04 15.24 40.89 91.35 50.42 -63.35 -42.92 0.61 0.00 99.39 0.03 0.02 0.49 98.94 0.52 0.00 0.00 0.00 66 F H H 75.08 14.00 19.36 32.97 91.43 52.11 -64.37 -36.30 3.51 0.00 96.48 0.11 0.11 3.25 94.19 2.33 0.00 0.00 0.00 67 A H H 73.64 2.46 22.68 24.40 91.45 55.25 -67.80 -28.57 20.97 0.01 79.02 0.25 0.45 21.36 75.33 2.58 0.01 0.00 0.01 68 R H H 90.77 11.74 18.27 30.06 97.81 43.54 -90.63 -17.12 41.47 0.04 58.48 0.86 1.87 38.34 56.42 2.43 0.02 0.01 0.03 69 T C C 12.74 23.13 10.04 32.03 119.31 69.20 -105.68 138.25 93.43 1.80 4.77 75.99 12.82 3.28 4.86 0.57 0.00 0.41 2.09 70 R C S 176.97 2.11 19.78 21.95 95.27 -152.07 -78.97 -13.41 99.53 0.18 0.28 45.68 50.71 3.18 0.15 0.10 0.00 0.06 0.11 71 D C C 61.10 8.76 14.65 24.93 109.36 90.48 -95.61 107.80 99.57 0.15 0.28 77.98 20.44 1.15 0.17 0.08 0.00 0.04 0.14 72 N H H 99.13 7.67 14.44 23.99 93.46 -170.62 -66.03 -29.94 3.58 0.00 96.42 0.76 0.80 1.60 96.42 0.41 0.00 0.00 0.00 73 E H H 130.69 1.77 21.36 22.25 91.94 57.69 -64.68 -40.24 0.99 0.00 99.00 0.09 0.08 0.71 98.82 0.30 0.00 0.00 0.00 74 I H H 17.26 16.55 17.57 34.80 92.30 47.66 -65.25 -42.70 0.30 0.00 99.70 0.03 0.02 0.19 99.54 0.22 0.00 0.00 0.00 75 V H H 7.10 22.61 16.80 39.48 91.13 51.02 -62.27 -43.98 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 76 A H H 41.05 6.47 23.22 30.42 91.32 51.03 -62.58 -42.25 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 77 K H H 85.39 6.17 24.41 30.82 91.57 50.06 -64.36 -42.20 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 78 L H H 2.78 25.33 18.08 43.79 91.47 48.92 -63.50 -43.76 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 79 F H H 29.86 20.59 19.38 38.90 93.29 43.25 -70.32 -38.81 0.36 0.00 99.63 0.01 0.01 0.33 99.60 0.05 0.00 0.00 0.00 80 N H H 102.06 2.77 22.69 25.21 99.57 35.74 -87.36 -36.68 4.84 0.00 95.16 0.03 0.09 5.28 94.42 0.17 0.00 0.00 0.00 81 E H H 94.43 5.48 21.67 27.58 105.19 26.93 -101.83 -41.23 47.04 0.01 52.95 0.12 0.77 46.81 51.83 0.45 0.01 0.00 0.01 82 L H H 7.44 22.13 17.46 39.70 100.65 33.73 -87.87 -39.36 33.30 0.04 66.66 0.51 1.88 31.10 64.95 1.45 0.06 0.01 0.04 83 G H H 5.59 21.29 15.41 36.63 91.74 62.98 -59.37 -44.54 5.91 0.02 94.07 1.01 0.48 3.65 68.34 26.50 0.00 0.01 0.00 84 P H H 79.92 3.44 22.64 25.81 91.17 51.05 -64.35 -34.81 3.31 0.01 96.68 0.21 0.15 2.54 67.50 29.59 0.00 0.01 0.00 85 R H H 116.74 6.77 20.99 28.21 91.58 51.71 -69.12 -29.75 3.54 0.01 96.45 0.17 0.16 2.81 70.98 25.86 0.00 0.00 0.00 86 F H H 11.27 22.54 13.08 35.88 98.80 39.98 -102.22 -0.63 22.58 0.14 77.27 1.58 2.12 17.25 60.46 18.28 0.13 0.06 0.12 87 A C T 51.95 13.28 15.43 28.76 93.71 96.07 -61.42 -31.00 93.42 0.20 6.38 3.41 3.00 87.31 4.78 1.24 0.00 0.07 0.18 88 S C T 95.18 1.18 19.50 19.23 95.35 45.59 -87.14 1.95 97.78 0.10 2.11 1.90 5.70 90.58 0.68 1.03 0.00 0.06 0.05 89 R C C 82.52 13.68 11.87 25.78 119.06 101.70 -89.29 137.37 98.68 0.71 0.62 74.73 22.85 1.06 0.21 0.34 0.00 0.25 0.57 90 A C T 81.40 2.96 19.73 22.99 111.27 -113.36 -68.43 139.47 95.68 2.44 1.89 10.49 18.19 66.89 0.22 1.90 0.00 1.39 0.92 91 G C T 31.01 9.32 19.24 29.08 107.92 16.55 89.60 -7.88 94.63 3.96 1.41 5.29 21.42 67.89 0.07 1.66 0.00 3.15 0.53 92 G C C 12.92 17.90 18.42 35.46 122.27 -152.84 85.94 137.08 81.22 17.22 1.56 64.52 12.37 3.32 0.16 1.86 0.00 16.70 1.07 93 Y E E 48.41 17.26 24.37 40.48 118.24 -134.49 -121.77 151.68 25.07 74.76 0.17 19.77 5.60 0.52 0.04 0.14 0.00 72.92 1.01 94 T E E 9.11 24.27 18.96 42.88 127.02 -133.57 -122.76 140.69 3.14 96.85 0.02 2.64 0.30 0.03 0.00 0.01 0.00 96.95 0.06 95 R E E 80.15 11.43 26.30 37.82 129.38 -168.63 -128.39 141.27 0.56 99.44 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.01 96 I E E 36.93 20.48 18.19 37.88 119.13 -148.38 -108.50 127.91 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 97 L E E 43.69 12.62 21.01 34.30 123.10 -169.23 -118.32 134.61 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 98 K E E 103.28 9.79 20.59 30.88 113.34 -128.53 -84.66 129.12 1.61 98.39 0.00 1.42 0.06 0.00 0.00 0.00 0.00 98.47 0.03 99 C E E 28.62 16.74 15.32 31.90 119.77 -169.18 -114.80 145.14 15.24 84.72 0.04 13.52 1.14 0.10 0.01 0.02 0.00 84.97 0.23 100 G E E 24.57 6.47 20.43 27.87 138.94 -81.25 145.94 -173.25 23.26 76.66 0.07 17.22 5.27 0.50 0.01 0.06 0.00 76.58 0.36 101 F E E 115.85 7.65 15.56 24.45 120.42 -59.31 -99.28 141.58 21.47 78.30 0.23 18.73 1.97 0.27 0.10 0.16 0.00 73.18 5.59 102 R C C 92.76 9.88 10.66 21.83 114.50 -122.77 -83.84 132.49 54.05 45.57 0.38 48.45 3.37 0.56 0.16 0.27 0.00 40.84 6.35 103 A C T 88.15 2.38 11.24 15.31 108.36 -105.48 -63.64 134.92 93.47 1.70 4.83 3.93 13.57 74.85 0.21 5.72 0.00 1.34 0.39 104 G C T 69.08 0.30 12.52 10.29 98.10 18.10 81.91 -4.18 93.33 0.48 6.19 2.26 13.06 76.49 0.20 7.49 0.00 0.30 0.21 105 D C T 72.94 6.52 9.08 17.07 119.58 78.45 -121.74 147.57 90.28 2.21 7.52 9.83 33.07 45.84 0.27 8.95 0.00 1.30 0.74 106 N C S 129.96 1.74 14.57 16.86 96.09 -133.86 -80.47 12.79 95.99 3.15 0.86 27.44 37.52 31.01 0.07 0.97 0.00 2.47 0.51 107 A C C 32.36 10.26 12.87 24.93 120.51 122.57 -83.26 149.40 78.14 21.77 0.09 51.64 27.33 0.47 0.02 0.08 0.00 19.21 1.25 108 P E E 42.82 10.73 18.52 30.36 114.57 -104.23 -67.08 147.14 34.30 65.67 0.03 32.73 1.00 0.06 0.01 0.02 0.00 64.06 2.12 109 M E E 37.52 16.08 19.60 35.70 127.52 -148.78 -117.53 148.91 7.23 92.75 0.01 6.34 0.68 0.03 0.00 0.01 0.00 92.50 0.43 110 A E E 6.29 22.09 18.92 41.18 128.49 -156.35 -122.75 144.81 1.28 98.71 0.00 1.16 0.05 0.00 0.00 0.00 0.00 98.74 0.04 111 Y E E 54.12 12.36 26.05 38.98 119.99 -145.27 -109.62 133.08 0.68 99.32 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.35 0.01 112 I E E 4.85 25.44 18.76 44.86 120.78 -161.91 -113.69 130.83 0.67 99.33 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.35 0.01 113 E E E 59.39 10.98 26.77 38.11 125.78 -170.41 -120.72 137.42 0.78 99.22 0.01 0.72 0.02 0.00 0.00 0.00 0.00 99.23 0.02 114 L E E 20.66 20.98 17.98 38.96 114.71 -132.37 -86.41 131.12 3.95 96.04 0.01 3.44 0.36 0.04 0.00 0.01 0.00 95.93 0.20 115 V E E 34.60 13.24 18.29 32.53 120.41 -160.26 -108.76 136.21 29.96 69.78 0.26 23.85 5.60 0.91 0.06 0.21 0.00 68.32 1.05 116 D C C 82.39 8.16 16.08 25.14 111.04 -134.89 -89.67 120.35 67.47 32.12 0.40 37.52 26.94 3.56 0.05 0.41 0.00 30.49 1.04 117 R C C 134.04 7.05 12.53 20.90 110.77 -137.15 -92.18 122.15 90.16 9.50 0.34 83.68 4.60 1.67 0.05 0.31 0.00 8.78 0.90 118 S C C 74.98 4.81 13.39 19.65 107.33 -120.82 -76.06 118.54 99.92 0.07 0.01 99.83 0.08 0.04 0.00 0.00 0.00 0.03 0.01