# 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 S C C 64.62 4.96 12.16 18.44 110.11 -152.94 -82.42 127.63 99.90 0.03 0.07 99.78 0.08 0.07 0.04 0.00 0.00 0.01 0.01 1 V C C 98.07 3.26 10.31 14.88 100.56 -133.28 -77.42 -20.10 58.75 0.47 40.78 51.98 1.22 4.67 40.51 1.22 0.00 0.19 0.20 2 K H H 130.11 2.75 10.55 14.60 97.45 55.83 -70.01 -35.60 40.05 0.59 59.35 27.91 5.19 6.30 58.36 1.75 0.00 0.26 0.22 3 K H H 121.10 3.39 11.75 16.45 94.91 52.88 -67.38 -36.80 25.80 0.56 73.65 18.45 3.70 4.51 70.76 2.13 0.00 0.28 0.17 4 E H H 105.20 3.21 12.85 17.14 93.31 53.09 -66.49 -39.31 14.26 0.38 85.36 9.96 2.18 2.98 82.52 2.04 0.00 0.21 0.10 5 T H H 69.57 3.09 13.37 17.47 92.85 51.58 -65.80 -40.17 11.17 0.37 88.45 7.41 1.64 2.83 85.71 2.08 0.00 0.23 0.09 6 R H H 118.63 4.00 14.05 19.23 92.72 50.91 -66.43 -40.16 9.26 0.41 90.33 5.33 1.43 3.07 87.52 2.28 0.01 0.27 0.10 7 L H H 78.02 5.23 13.79 20.54 92.47 51.03 -65.96 -39.98 11.63 0.62 87.75 6.48 1.83 3.97 84.88 2.27 0.01 0.40 0.16 8 R H H 130.64 2.77 15.46 18.82 92.56 51.35 -65.96 -39.19 20.51 0.89 78.60 11.72 2.86 6.43 76.31 1.92 0.02 0.50 0.27 9 R H H 127.85 3.33 15.62 19.66 92.71 50.71 -67.24 -38.11 34.82 0.90 64.28 22.40 3.82 8.22 63.12 1.66 0.00 0.43 0.34 10 A C C 45.42 7.10 13.71 22.41 93.62 52.71 -68.08 -37.64 60.20 0.39 39.41 49.93 2.92 4.84 41.05 0.94 0.00 0.17 0.14 11 R C C 126.27 4.09 15.47 20.53 93.51 55.45 -65.20 -39.33 57.13 0.44 42.42 48.84 2.42 3.96 43.36 1.07 0.00 0.20 0.15 12 K H H 115.71 2.77 16.53 19.50 93.38 52.52 -66.32 -39.24 37.66 0.66 61.68 30.82 2.69 3.84 60.52 1.60 0.00 0.33 0.19 13 A H H 43.96 6.39 14.62 22.64 93.25 52.14 -66.07 -39.68 27.77 0.66 71.57 21.39 2.58 4.12 69.30 2.06 0.00 0.38 0.17 14 R H H 112.11 6.71 15.29 23.11 92.76 52.47 -65.58 -39.53 17.01 0.60 82.39 11.97 2.25 3.70 78.67 2.88 0.00 0.39 0.15 15 L H H 84.54 3.73 15.87 20.47 92.65 51.95 -65.43 -39.67 12.80 0.60 86.60 7.78 1.98 3.85 82.00 3.83 0.01 0.42 0.15 16 K H H 109.65 3.71 16.19 20.65 93.01 51.03 -66.92 -38.18 14.25 0.65 85.10 8.16 2.15 4.79 79.86 4.42 0.01 0.44 0.17 17 M H H 73.08 9.10 13.23 23.55 93.61 52.00 -68.28 -36.30 16.39 0.49 83.13 8.83 2.72 5.76 77.44 4.79 0.01 0.30 0.16 18 R H H 130.11 5.53 14.94 21.69 94.19 55.43 -68.62 -33.79 23.96 0.54 75.50 11.05 3.83 10.05 69.49 5.04 0.03 0.31 0.20 19 E H H 119.62 3.36 15.63 19.77 96.40 54.19 -74.14 -27.35 34.84 0.65 64.51 13.99 5.72 16.17 58.28 5.16 0.04 0.33 0.30 20 L C H 79.94 8.74 13.58 23.25 98.57 59.11 -79.88 -15.30 56.80 0.78 42.42 16.93 11.48 29.03 36.69 5.05 0.06 0.34 0.43 21 E C T 114.14 6.96 17.66 25.32 99.94 -129.35 -50.08 19.91 79.13 1.33 19.55 27.22 16.80 35.46 14.12 5.16 0.01 0.70 0.52 22 T C C 45.16 12.38 18.12 30.98 116.00 119.77 -98.06 131.70 85.53 9.34 5.13 53.95 24.08 7.97 1.95 2.77 0.00 8.21 1.06 23 V C C 20.33 19.85 18.43 38.09 118.86 -152.15 -100.21 131.71 54.30 44.75 0.95 47.01 4.18 1.12 0.29 0.51 0.00 46.21 0.68 24 R E E 59.89 15.32 25.69 40.29 123.02 -163.88 -115.16 134.97 9.39 90.54 0.07 8.68 0.58 0.07 0.02 0.03 0.00 90.28 0.33 25 L E E 4.16 25.80 21.40 47.35 121.53 -161.37 -112.08 133.51 1.75 98.23 0.01 1.62 0.08 0.01 0.00 0.00 0.00 98.24 0.03 26 C E E 16.26 15.66 27.96 43.97 121.80 -165.91 -117.07 131.36 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 27 V E E 4.93 25.35 21.11 46.64 120.01 -165.10 -114.87 126.45 0.26 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 28 Y E E 63.15 12.25 27.27 39.66 123.13 -171.02 -120.77 131.54 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.66 0.01 29 R E E 69.90 18.55 19.16 36.39 118.14 -156.24 -106.23 127.03 4.34 95.65 0.01 3.79 0.28 0.03 0.00 0.00 0.00 95.78 0.11 30 S C C 27.65 9.93 19.42 30.34 131.40 172.08 -120.94 168.00 80.53 19.44 0.03 78.20 1.25 0.09 0.01 0.02 0.00 20.14 0.30 31 S C S 75.94 5.43 18.05 24.67 91.65 -90.47 -65.07 -27.66 99.65 0.23 0.12 2.07 76.93 20.70 0.01 0.09 0.00 0.15 0.04 32 Q C S 100.40 6.74 17.83 25.17 103.71 27.18 -108.52 -16.19 99.55 0.33 0.12 1.49 77.79 20.35 0.01 0.09 0.00 0.23 0.04 33 H E E 53.32 11.43 21.28 33.13 143.51 12.93 -156.27 160.04 31.22 68.76 0.03 24.66 5.15 0.18 0.00 0.03 0.00 69.66 0.32 34 I E E 6.53 24.34 17.80 42.99 119.51 -132.75 -111.39 129.69 0.91 99.09 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.09 0.01 35 Y E E 40.06 13.76 27.36 41.60 123.61 -168.40 -119.26 136.26 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 36 A E E 1.82 26.52 20.61 47.71 127.41 -170.28 -124.98 142.12 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 37 Q E E 30.54 15.83 28.75 44.60 126.65 -169.68 -125.92 140.38 0.09 99.91 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 38 V E E 2.90 25.43 22.85 48.80 117.92 -150.29 -105.94 126.88 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 39 I E E 16.57 15.92 23.66 40.21 128.16 -174.56 -124.33 145.26 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.47 0.07 40 A E E 17.51 13.18 19.50 33.87 117.57 -116.31 -72.47 156.76 31.33 68.63 0.04 29.61 0.89 0.09 0.01 0.02 0.00 68.94 0.43 41 A C T 46.48 14.65 14.97 29.73 91.41 -108.32 -61.73 -27.28 96.56 0.56 2.89 1.11 7.45 88.07 0.13 2.71 0.00 0.38 0.15 42 D C T 110.90 1.85 18.35 19.74 94.70 56.71 -85.36 0.96 96.02 0.42 3.56 0.84 5.93 89.20 0.17 3.42 0.00 0.25 0.18 43 G C T 42.15 7.85 14.57 23.21 98.34 -95.62 87.89 4.00 95.87 0.49 3.64 5.43 18.65 70.85 0.20 4.37 0.00 0.30 0.20 44 G C C 41.57 7.00 16.40 24.27 98.51 114.77 -71.38 -11.87 98.59 0.68 0.72 58.55 15.21 24.85 0.11 0.66 0.00 0.44 0.18 45 K C C 117.30 4.80 19.93 25.66 119.78 94.45 -98.42 138.11 69.78 30.04 0.18 60.93 8.02 0.45 0.05 0.16 0.00 26.96 3.43 46 V E E 61.18 16.09 16.31 31.85 111.00 -126.64 -79.58 123.23 1.50 98.50 0.00 1.45 0.06 0.00 0.00 0.00 0.00 98.00 0.49 47 L E E 38.00 16.17 20.68 36.68 99.70 177.02 -93.77 -31.10 2.13 97.87 0.00 1.02 0.99 0.01 0.00 0.00 0.00 97.96 0.01 48 A E E 7.64 20.37 21.43 42.01 142.92 -1.57 -158.68 153.11 0.25 99.75 0.00 0.18 0.02 0.00 0.00 0.00 0.00 99.79 0.00 49 S E E 39.27 17.67 24.13 40.22 136.90 -170.68 -145.47 148.73 0.34 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 50 A E E 8.55 23.04 21.12 43.40 135.51 -173.39 -140.99 149.53 0.55 99.45 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.45 0.02 51 S E E 29.68 14.49 25.41 39.54 137.46 -176.23 -142.21 154.41 5.31 94.67 0.01 4.88 0.27 0.02 0.00 0.01 0.00 94.51 0.31 52 T C C 20.06 21.43 17.02 37.64 110.00 -128.03 -89.82 108.67 64.48 34.94 0.58 39.04 21.88 3.81 0.09 0.54 0.00 33.73 0.90 53 L C C 89.04 8.76 21.86 30.53 98.66 120.05 -89.19 0.76 93.73 4.91 1.36 47.38 38.47 8.30 0.31 1.07 0.00 3.40 1.06 54 D C C 49.10 12.20 14.46 27.66 110.41 108.89 -82.02 122.50 93.43 1.78 4.79 68.67 22.00 2.68 3.18 1.56 0.00 0.65 1.25 55 K H G 138.88 3.90 16.08 21.83 93.60 -149.26 -63.74 -31.20 25.63 0.22 74.16 3.23 3.40 17.09 37.52 38.48 0.04 0.11 0.12 56 D H G 89.91 4.20 18.51 23.49 92.31 61.24 -67.51 -28.78 22.74 0.22 77.04 2.75 2.47 15.31 39.60 39.62 0.04 0.12 0.10 57 L H H 15.12 21.52 11.66 32.35 94.63 53.17 -75.01 -27.23 19.26 0.42 80.32 4.73 3.15 10.07 41.06 40.58 0.03 0.23 0.16 58 R H H 105.31 12.47 15.64 27.77 95.63 61.64 -77.01 -14.59 41.20 1.47 57.33 17.37 9.24 15.75 39.33 16.69 0.10 0.68 0.83 59 E C T 133.98 2.99 17.31 20.95 108.31 62.81 -80.43 105.68 68.79 1.11 30.10 21.29 16.72 31.86 21.20 7.60 0.04 0.44 0.85 60 G C C 47.15 5.18 15.90 22.04 113.59 9.82 84.48 0.96 89.20 0.65 10.16 42.46 20.61 26.55 5.35 4.27 0.00 0.26 0.50 61 A C C 64.26 8.81 15.10 24.30 106.93 -82.88 -86.78 76.81 90.58 0.84 8.58 60.10 15.34 15.09 2.63 5.84 0.00 0.37 0.62 62 T C C 71.28 10.09 16.70 26.95 112.09 52.12 -88.38 127.02 90.73 1.21 8.06 48.54 18.58 24.02 2.35 5.18 0.00 0.54 0.80 63 G C C 34.29 13.27 17.54 29.95 101.99 -47.17 81.28 8.47 91.22 1.59 7.19 45.72 29.18 16.89 2.26 4.35 0.00 0.66 0.95 64 N C C 67.75 8.69 21.36 30.42 117.06 130.85 -94.21 137.80 86.26 2.83 10.91 50.55 33.05 2.26 10.20 0.95 0.00 0.62 2.36 65 I H H 56.57 17.74 17.21 33.87 93.94 -136.31 -63.34 -35.78 4.82 0.03 95.15 1.29 1.09 2.25 94.81 0.54 0.01 0.01 0.01 66 D H H 88.27 3.56 26.12 29.86 91.91 53.16 -64.47 -40.74 2.27 0.01 97.72 0.59 0.27 1.26 97.33 0.54 0.00 0.01 0.00 67 A H H 11.09 15.85 21.76 38.20 91.33 50.64 -64.30 -42.06 0.52 0.00 99.48 0.11 0.04 0.27 99.22 0.35 0.00 0.00 0.00 68 A H H 1.18 27.20 19.58 47.27 91.16 51.45 -63.64 -42.58 0.33 0.00 99.67 0.05 0.02 0.19 99.54 0.19 0.00 0.00 0.00 69 K H H 74.49 14.23 27.05 40.45 91.57 51.06 -63.81 -41.80 0.45 0.00 99.55 0.04 0.02 0.29 99.55 0.09 0.00 0.00 0.00 70 K H H 86.88 6.91 30.21 38.72 91.38 50.24 -64.22 -41.82 0.30 0.00 99.70 0.02 0.01 0.19 99.73 0.04 0.00 0.00 0.00 71 V H H 1.84 25.83 26.00 51.37 91.66 49.71 -63.88 -43.98 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 72 G H H 0.63 27.23 24.67 51.94 91.32 51.21 -63.04 -42.83 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 73 Q H H 69.92 10.50 29.60 41.14 91.53 50.43 -63.91 -41.78 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 74 L H H 34.77 11.46 28.99 41.96 91.40 49.96 -64.07 -42.81 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.00 0.00 0.00 0.00 75 V H H 0.83 27.54 25.64 53.22 91.43 49.11 -64.36 -43.91 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 76 A H H 2.63 24.75 23.39 47.68 91.14 51.24 -62.69 -43.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 77 E H H 92.66 4.67 29.29 34.77 91.15 49.83 -63.40 -42.42 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 78 R H H 65.50 12.08 25.87 38.01 91.89 49.13 -64.73 -41.84 0.03 0.00 99.97 0.00 0.00 0.03 99.97 0.01 0.00 0.00 0.00 79 A H H 0.71 27.86 16.09 45.21 90.80 50.73 -63.21 -43.10 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 80 K H H 97.81 11.98 21.08 32.69 91.15 50.29 -62.52 -41.50 0.30 0.00 99.70 0.01 0.01 0.27 99.56 0.15 0.00 0.00 0.00 81 A H H 83.98 1.72 22.85 23.82 90.11 53.54 -64.72 -28.85 3.64 0.00 96.36 0.03 0.05 3.89 95.80 0.23 0.00 0.00 0.00 82 A C T 33.49 13.98 15.82 30.45 92.30 55.44 -84.62 -4.97 75.49 0.01 24.50 0.17 0.51 74.77 24.09 0.46 0.00 0.00 0.01 83 G C T 42.27 4.01 23.93 28.64 98.04 -104.47 90.29 12.45 99.90 0.00 0.09 0.61 0.47 98.88 0.03 0.01 0.00 0.00 0.00 84 V C C 7.30 25.00 11.67 36.89 111.81 150.51 -81.33 121.95 88.98 10.97 0.05 89.52 0.38 0.05 0.01 0.02 0.00 9.52 0.50 85 T C C 73.36 6.81 24.48 32.15 101.74 171.36 -108.47 -11.47 81.95 18.00 0.05 68.60 11.46 0.28 0.01 0.05 0.00 19.29 0.32 86 Q E E 67.37 10.93 25.81 37.53 130.07 43.41 -133.32 141.17 10.13 89.80 0.07 8.48 1.31 0.13 0.01 0.04 0.00 89.80 0.22 87 V E E 3.33 26.70 19.17 46.50 126.92 -170.48 -128.18 137.63 1.36 98.62 0.02 1.29 0.06 0.01 0.01 0.01 0.00 98.54 0.09 88 A E E 16.86 17.21 27.61 44.32 123.76 -164.31 -115.91 137.01 2.21 97.76 0.02 2.12 0.08 0.01 0.01 0.01 0.00 97.64 0.12 89 F E E 12.49 24.10 20.62 44.26 124.09 -165.70 -117.56 135.47 16.87 83.08 0.05 16.32 0.43 0.05 0.02 0.02 0.00 82.82 0.34 90 D C C 47.24 12.79 23.05 35.83 109.39 -137.30 -94.29 115.32 56.94 42.80 0.27 50.26 4.50 0.56 0.07 0.20 0.00 43.55 0.86 91 R C C 62.14 17.09 14.78 31.71 100.32 -173.24 -98.04 7.67 86.73 7.86 5.41 69.06 9.57 7.59 1.13 4.78 0.00 5.95 1.92 92 S C T 72.57 5.64 15.41 22.56 105.63 127.55 -65.94 108.62 88.94 3.08 7.98 20.08 16.40 52.12 1.06 7.30 0.01 1.86 1.18 93 G C T 59.32 1.89 15.95 17.73 97.76 7.01 82.86 -0.31 89.39 1.49 9.12 10.87 24.28 53.99 0.94 8.41 0.00 0.84 0.67 94 F C C 90.32 11.77 10.07 22.05 121.05 96.98 -99.85 146.45 88.03 4.97 7.00 47.76 29.85 10.06 1.59 5.53 0.00 2.37 2.84 95 K C C 146.82 2.34 18.24 20.83 113.15 -124.72 -87.11 134.04 92.98 3.64 3.38 61.71 21.14 10.08 0.97 2.46 0.00 2.02 1.62 96 Y C C 97.48 15.53 11.09 25.80 115.52 -123.25 -90.90 128.29 92.29 3.89 3.82 69.86 14.79 7.37 1.63 2.14 0.00 1.81 2.40 97 H C C 97.86 5.74 16.64 23.83 131.17 166.29 -138.14 158.42 93.25 1.41 5.33 79.27 10.63 2.81 4.91 0.90 0.00 0.52 0.97 98 G H H 44.65 3.54 19.84 23.79 112.53 -30.16 63.72 -134.72 22.00 0.15 77.85 4.56 9.46 8.41 76.17 1.24 0.03 0.04 0.10 99 R H H 80.68 15.30 19.34 33.94 93.10 -3.01 -67.04 -33.73 5.40 0.04 94.56 1.07 0.87 3.34 93.75 0.93 0.01 0.01 0.02 100 V H H 6.23 24.75 17.68 42.16 91.85 54.97 -64.05 -41.57 1.84 0.03 98.13 0.55 0.22 0.97 97.59 0.64 0.00 0.01 0.00 101 K H H 90.74 10.12 25.25 35.38 91.49 52.34 -62.88 -41.31 0.48 0.00 99.51 0.13 0.04 0.23 99.39 0.21 0.00 0.00 0.00 102 A H H 27.91 8.76 25.92 35.94 91.55 50.97 -63.90 -42.39 0.25 0.00 99.75 0.04 0.01 0.13 99.72 0.09 0.00 0.00 0.00 103 L H H 4.51 24.82 23.77 47.92 91.91 49.50 -64.57 -42.98 0.16 0.00 99.84 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 104 A H H 5.82 22.20 23.04 44.69 91.15 50.35 -62.36 -43.52 0.15 0.00 99.85 0.01 0.01 0.08 99.86 0.03 0.00 0.00 0.00 105 D H H 71.55 4.48 28.80 33.79 91.42 50.17 -63.71 -41.79 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 106 A H H 13.56 13.55 23.06 37.60 91.50 50.62 -63.35 -42.97 0.28 0.00 99.72 0.03 0.01 0.17 99.71 0.07 0.00 0.00 0.00 107 A H H 2.21 25.59 16.88 43.00 91.31 50.34 -63.37 -42.89 0.56 0.00 99.43 0.09 0.04 0.37 99.33 0.18 0.00 0.00 0.00 108 R H H 117.69 9.79 20.91 30.96 91.69 49.99 -63.07 -41.28 1.89 0.02 98.09 0.31 0.16 1.34 97.69 0.46 0.01 0.01 0.01 109 E H H 136.45 2.26 21.63 23.73 90.58 53.07 -64.93 -29.16 8.81 0.02 91.17 0.30 0.35 8.25 90.55 0.53 0.01 0.00 0.01 110 G C T 23.62 13.72 14.70 28.99 93.19 54.24 -86.66 -0.26 81.60 0.03 18.37 0.48 1.14 78.73 19.06 0.57 0.00 0.01 0.02 111 G C T 49.00 2.99 21.62 24.74 97.81 -100.20 87.78 9.16 99.41 0.08 0.51 2.65 1.76 95.19 0.23 0.09 0.00 0.04 0.03 112 L C C 17.69 22.72 9.55 31.49 117.20 142.09 -84.88 137.71 95.27 4.44 0.28 93.30 1.93 0.50 0.11 0.13 0.00 3.25 0.77 113 E C C 128.87 2.93 22.58 25.80 114.15 -139.35 -93.42 129.25 67.14 32.52 0.34 67.15 0.68 0.68 0.15 0.14 0.00 23.45 7.75 114 F C C 49.82 21.73 13.92 34.19 116.97 -158.89 -100.28 130.30 95.80 4.19 0.01 96.68 0.10 0.01 0.00 0.00 0.00 3.03 0.18