# 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 102.58 6.26 10.99 18.50 107.13 84.03 -84.75 75.39 99.89 0.03 0.07 99.78 0.08 0.06 0.05 0.00 0.00 0.01 0.01 1 N C C 98.40 2.88 10.70 14.74 107.69 -121.44 -80.90 133.94 71.47 0.38 28.16 66.31 0.88 3.30 28.47 0.74 0.00 0.12 0.19 2 E H H 137.92 1.63 10.33 12.81 95.53 -93.94 -66.36 -35.97 16.14 0.11 83.75 9.33 2.62 4.17 82.59 1.20 0.00 0.04 0.05 3 K H H 136.08 1.53 12.01 13.89 93.08 52.89 -65.83 -39.92 7.44 0.06 92.51 3.53 1.17 2.75 91.30 1.20 0.00 0.02 0.02 4 K H H 105.97 3.91 12.47 17.71 92.87 49.40 -66.10 -40.43 4.07 0.04 95.89 1.98 0.62 1.57 94.78 1.01 0.00 0.02 0.01 5 Q H H 90.77 3.19 14.18 18.34 92.18 50.40 -64.74 -41.04 2.43 0.02 97.55 1.05 0.33 0.96 97.22 0.43 0.00 0.01 0.01 6 S H H 53.65 2.32 15.62 18.18 91.84 50.47 -64.05 -41.62 2.18 0.01 97.81 0.88 0.24 0.87 97.76 0.24 0.00 0.01 0.00 7 R H H 112.49 4.69 15.99 21.56 92.33 49.91 -64.78 -41.02 1.31 0.01 98.68 0.44 0.13 0.57 98.68 0.16 0.00 0.00 0.00 8 L H H 68.16 7.41 15.27 24.01 92.08 50.41 -64.83 -41.28 1.05 0.01 98.94 0.33 0.10 0.47 98.96 0.13 0.00 0.00 0.00 9 R H H 139.57 1.98 18.71 20.09 92.07 50.29 -64.27 -41.47 1.07 0.01 98.92 0.30 0.10 0.51 98.97 0.11 0.00 0.00 0.00 10 R H H 130.77 2.63 19.03 21.41 92.19 49.24 -65.04 -41.07 1.33 0.01 98.66 0.35 0.13 0.67 98.73 0.12 0.00 0.00 0.00 11 A H H 27.81 11.26 15.04 27.58 92.07 50.62 -64.36 -41.54 1.33 0.00 98.67 0.33 0.12 0.65 98.77 0.12 0.00 0.00 0.00 12 K H H 109.13 4.79 18.67 24.24 91.79 50.61 -64.24 -41.09 1.38 0.00 98.61 0.32 0.12 0.71 98.71 0.13 0.00 0.00 0.00 13 S H H 60.33 2.09 20.51 21.33 91.70 49.92 -64.37 -41.42 1.66 0.01 98.34 0.37 0.15 0.89 98.43 0.16 0.00 0.00 0.00 14 T H H 42.76 9.37 17.67 28.11 92.09 49.52 -65.32 -41.37 1.82 0.01 98.17 0.42 0.17 0.95 98.27 0.18 0.00 0.00 0.00 15 R H H 83.77 13.39 16.47 29.74 91.64 52.20 -62.75 -41.35 1.55 0.01 98.44 0.40 0.14 0.77 98.49 0.19 0.00 0.00 0.00 16 L H H 88.80 2.74 20.12 22.39 91.55 50.83 -63.78 -40.92 1.15 0.01 98.84 0.30 0.10 0.57 98.80 0.23 0.00 0.00 0.00 17 H H H 107.61 3.21 19.63 22.79 92.06 50.36 -64.95 -41.10 1.45 0.01 98.53 0.36 0.14 0.79 98.32 0.38 0.00 0.01 0.00 18 I H H 28.51 16.60 13.42 30.27 92.37 49.85 -65.39 -41.56 1.97 0.03 98.00 0.47 0.21 1.13 97.51 0.66 0.00 0.01 0.00 19 R H H 128.82 7.51 16.35 24.94 91.85 51.85 -63.62 -38.88 4.00 0.03 95.97 0.79 0.38 2.59 94.93 1.27 0.01 0.02 0.01 20 A H H 85.12 1.40 17.41 18.13 92.06 53.22 -67.71 -28.56 14.05 0.04 85.90 1.19 0.97 11.45 84.96 1.36 0.02 0.02 0.02 21 L H H 85.58 7.08 15.04 23.22 95.11 52.52 -82.89 -10.03 47.98 0.20 51.82 4.57 5.49 36.78 51.04 1.88 0.03 0.07 0.14 22 G C T 42.46 5.45 18.96 25.19 100.06 -114.36 81.19 12.30 97.86 0.46 1.68 28.21 9.36 60.68 0.86 0.50 0.00 0.24 0.13 23 A C C 26.79 15.57 16.64 32.46 119.03 143.85 -92.53 143.81 94.68 5.01 0.31 80.28 12.85 1.34 0.07 0.22 0.00 4.91 0.34 24 T C C 24.34 17.99 20.57 38.28 117.98 -130.81 -92.51 135.24 59.56 40.29 0.16 54.14 2.63 0.35 0.03 0.10 0.00 42.39 0.36 25 R E E 57.96 17.30 25.10 41.12 125.60 -160.01 -119.05 137.68 6.05 93.94 0.01 5.72 0.28 0.01 0.00 0.00 0.00 93.76 0.22 26 L E E 4.59 25.54 21.60 47.16 121.61 -161.88 -113.10 133.35 1.20 98.80 0.00 1.14 0.04 0.00 0.00 0.00 0.00 98.80 0.02 27 C E E 18.41 15.38 27.62 43.24 122.59 -166.44 -117.52 133.30 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 28 V E E 7.25 24.63 20.37 44.95 119.42 -164.25 -114.78 126.04 0.31 99.69 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.71 0.00 29 N E E 48.55 11.34 26.41 37.86 121.72 -172.52 -120.41 131.13 0.61 99.39 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 30 R E E 80.83 17.45 18.28 34.55 118.10 -155.96 -105.73 127.35 7.00 92.99 0.01 6.07 0.49 0.03 0.00 0.00 0.00 93.27 0.13 31 T C C 35.83 9.04 18.53 28.81 131.62 171.55 -122.74 175.28 81.75 18.23 0.02 79.76 1.18 0.06 0.00 0.01 0.00 18.72 0.26 32 P C S 92.80 5.67 17.02 23.92 91.52 -92.88 -63.82 -27.84 99.68 0.20 0.12 2.62 76.76 20.35 0.01 0.09 0.00 0.13 0.04 33 R C S 136.23 5.16 17.44 23.31 103.37 27.65 -106.56 -18.44 99.60 0.28 0.12 1.90 77.96 19.81 0.01 0.09 0.00 0.20 0.04 34 H E E 58.04 10.45 20.42 31.56 142.84 11.53 -156.09 159.64 36.45 63.52 0.03 28.28 6.74 0.27 0.00 0.03 0.00 64.31 0.37 35 I E E 8.33 23.64 17.14 41.46 119.50 -131.88 -111.18 129.78 1.45 98.55 0.00 1.38 0.02 0.00 0.00 0.00 0.00 98.58 0.02 36 Y E E 42.73 13.06 26.84 40.44 124.30 -169.10 -120.20 137.87 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 37 A E E 2.08 26.23 20.05 46.85 127.96 -170.59 -125.92 143.05 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 38 Q E E 32.54 15.10 28.59 43.88 127.39 -170.45 -125.61 140.83 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 39 V E E 3.24 25.15 22.45 48.11 117.97 -151.18 -105.54 127.07 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 40 I E E 17.61 15.22 23.32 39.38 128.62 -175.23 -125.26 145.92 0.61 99.39 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.35 0.08 41 S E E 17.53 12.91 19.18 33.35 118.79 -117.39 -73.50 160.28 38.97 60.97 0.06 36.74 1.11 0.12 0.01 0.04 0.00 61.54 0.43 42 A C T 49.55 14.12 14.96 29.27 91.09 -104.33 -62.61 -25.52 96.67 0.43 2.90 1.16 8.60 86.90 0.13 2.79 0.00 0.29 0.12 43 D C T 110.80 1.79 18.14 19.39 94.52 56.63 -85.90 0.78 96.05 0.37 3.58 0.99 7.34 87.57 0.17 3.54 0.00 0.22 0.17 44 G C T 41.20 8.46 14.05 23.22 97.69 -97.22 86.13 4.96 95.85 0.58 3.57 7.43 25.05 62.52 0.22 4.20 0.00 0.34 0.24 45 G C C 42.58 6.28 16.48 23.71 98.25 111.52 -72.87 -14.74 98.57 0.73 0.70 54.60 19.58 24.39 0.10 0.68 0.00 0.47 0.18 46 K C C 118.56 4.47 19.62 24.99 120.75 62.51 -105.91 139.57 71.18 28.61 0.22 59.84 10.73 0.56 0.06 0.19 0.00 25.49 3.13 47 V E E 62.82 15.69 15.67 30.93 111.00 -126.39 -80.13 123.57 1.82 98.17 0.00 1.77 0.07 0.00 0.00 0.00 0.00 97.69 0.47 48 L E E 43.33 14.96 20.12 35.17 99.59 177.56 -92.80 -31.21 2.12 97.88 0.00 1.05 0.92 0.01 0.00 0.00 0.00 98.00 0.02 49 A E E 9.05 19.55 20.71 40.55 142.60 -1.38 -158.53 152.97 0.21 99.78 0.00 0.16 0.02 0.00 0.00 0.00 0.00 99.82 0.00 50 Q E E 72.10 16.05 23.39 38.41 134.97 -169.16 -142.46 145.52 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 51 A E E 8.91 22.62 20.43 42.37 134.08 -175.77 -138.98 147.79 0.67 99.33 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.02 52 S E E 32.05 13.60 25.15 38.48 136.13 -174.80 -139.05 153.62 6.82 93.17 0.02 6.27 0.36 0.03 0.01 0.01 0.00 92.99 0.34 53 T C C 21.66 21.30 16.60 37.04 103.05 -132.94 -86.84 6.12 69.47 28.86 1.67 38.38 24.55 7.09 0.28 1.40 0.00 27.21 1.08 54 L C C 91.78 8.76 21.43 30.11 97.03 111.31 -86.42 -4.77 92.29 4.64 3.06 41.08 38.42 13.33 0.68 2.33 0.00 2.97 1.19 55 D C C 56.63 11.02 15.11 27.17 110.14 101.63 -82.28 119.24 91.21 2.02 6.76 63.38 23.54 4.27 3.61 2.99 0.00 0.78 1.42 56 A H G 73.35 5.25 15.52 22.59 93.43 -150.41 -63.28 -30.73 29.03 0.27 70.70 3.93 4.07 19.24 26.58 45.87 0.02 0.13 0.16 57 S H G 69.36 4.21 18.71 23.74 91.52 63.79 -67.93 -23.74 26.53 0.25 73.21 3.19 3.03 18.17 27.62 47.71 0.02 0.13 0.13 58 L H G 16.50 21.30 11.80 32.35 95.34 54.80 -79.75 -17.39 23.91 0.65 75.44 6.30 4.27 12.53 29.49 46.77 0.03 0.36 0.26 59 R C H 106.36 12.62 15.40 27.69 98.06 69.52 -81.76 -4.09 53.55 2.18 44.27 25.65 12.54 17.01 27.16 15.24 0.07 0.95 1.37 60 S C T 78.85 3.45 16.81 21.13 110.27 79.81 -87.99 119.94 79.31 1.26 19.44 30.05 19.49 30.67 12.02 6.33 0.01 0.51 0.91 61 G C C 50.19 4.33 15.51 20.99 113.11 7.76 93.14 -16.43 93.72 0.73 5.55 47.19 25.65 21.09 2.25 3.00 0.00 0.30 0.53 62 T C C 89.18 5.95 15.45 22.48 109.74 -38.82 -94.03 109.98 94.38 0.97 4.65 62.30 18.20 13.85 1.47 3.09 0.00 0.44 0.66 63 T C C 70.87 10.08 15.93 26.29 111.30 54.15 -90.05 127.58 93.58 1.32 5.10 50.34 20.60 22.86 1.72 3.06 0.00 0.58 0.83 64 G C C 32.88 13.76 17.04 29.88 103.51 -6.10 80.00 10.81 92.70 1.59 5.71 47.19 29.01 16.92 2.23 3.04 0.00 0.65 0.95 65 N C C 68.74 8.53 21.14 30.02 117.26 138.17 -93.37 141.37 85.32 2.49 12.19 51.15 31.15 2.64 11.42 1.07 0.00 0.57 1.99 66 I H H 60.66 17.30 17.21 33.38 93.83 -127.25 -63.07 -36.04 5.22 0.04 94.75 1.59 1.28 2.20 94.36 0.54 0.01 0.01 0.02 67 E H H 114.55 3.41 25.84 29.42 91.73 53.22 -64.06 -40.99 1.90 0.01 98.09 0.50 0.23 1.01 97.75 0.50 0.00 0.01 0.00 68 A H H 11.89 15.71 21.82 38.06 91.35 50.15 -64.53 -42.07 0.57 0.00 99.42 0.13 0.05 0.30 99.15 0.38 0.00 0.00 0.00 69 A H H 1.28 26.99 19.78 47.15 91.36 51.10 -63.86 -42.19 0.41 0.00 99.59 0.07 0.03 0.23 99.42 0.25 0.00 0.00 0.00 70 T H H 43.23 14.82 26.82 40.87 91.68 50.99 -63.63 -42.15 0.51 0.00 99.49 0.06 0.03 0.32 99.49 0.10 0.00 0.00 0.00 71 K H H 90.49 6.59 30.33 38.53 91.35 50.28 -64.15 -41.82 0.34 0.00 99.66 0.03 0.01 0.21 99.70 0.04 0.00 0.00 0.00 72 V H H 2.03 25.62 26.22 51.36 91.56 49.68 -64.03 -43.97 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 73 G H H 0.66 27.13 25.09 52.21 91.32 51.30 -62.95 -42.89 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 74 A H H 35.52 11.17 29.32 41.59 91.58 50.65 -64.14 -41.76 0.13 0.00 99.87 0.00 0.00 0.09 99.90 0.01 0.00 0.00 0.00 75 L H H 37.32 10.97 29.16 41.73 91.46 50.05 -64.07 -42.71 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 76 I H H 1.10 27.26 25.59 52.81 91.44 49.17 -64.35 -43.90 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 77 A H H 2.96 24.60 23.22 47.32 91.15 51.49 -62.63 -43.45 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 78 E H H 94.88 4.49 29.10 34.30 91.26 49.83 -63.37 -42.34 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 79 R H H 68.57 11.66 25.73 37.48 91.84 49.05 -64.78 -41.75 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 80 A H H 0.79 27.66 15.81 44.68 90.83 50.76 -63.20 -43.02 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 81 K H H 99.21 11.66 20.85 32.28 91.16 50.34 -62.34 -41.38 0.27 0.00 99.73 0.01 0.01 0.25 99.58 0.15 0.00 0.00 0.00 82 A H H 84.70 1.61 22.66 23.39 90.15 53.39 -64.77 -29.02 3.40 0.00 96.60 0.03 0.05 3.66 96.04 0.23 0.00 0.00 0.00 83 A C T 34.27 13.68 15.66 30.06 92.19 55.45 -84.49 -4.70 74.04 0.01 25.95 0.16 0.50 73.38 25.48 0.46 0.00 0.00 0.01 84 G C T 42.93 3.85 23.79 28.23 97.82 -104.83 89.76 13.02 99.91 0.00 0.09 0.62 0.46 98.88 0.03 0.01 0.00 0.00 0.00 85 V C C 8.13 24.78 11.34 36.20 111.84 150.48 -80.88 122.26 89.64 10.31 0.05 90.13 0.38 0.05 0.01 0.02 0.00 8.97 0.45 86 T C C 75.49 6.31 24.08 31.25 101.54 171.75 -108.44 -12.32 81.88 18.07 0.06 68.11 11.95 0.30 0.01 0.05 0.00 19.25 0.33 87 K E E 85.19 9.51 25.41 35.86 130.11 42.43 -133.31 141.00 10.48 89.45 0.07 8.83 1.29 0.13 0.01 0.04 0.00 89.47 0.22 88 V E E 4.31 26.30 18.03 44.87 126.76 -170.47 -127.81 136.98 1.49 98.48 0.02 1.44 0.06 0.01 0.01 0.01 0.00 98.37 0.10 89 A E E 20.80 15.30 27.23 42.38 123.05 -163.84 -115.41 136.64 2.50 97.48 0.03 2.40 0.09 0.01 0.01 0.01 0.00 97.34 0.14 90 F E E 15.90 23.57 19.22 42.30 123.89 -164.85 -117.72 134.53 17.80 82.14 0.05 17.30 0.44 0.05 0.02 0.02 0.00 81.81 0.36 91 D C C 53.07 11.30 22.26 33.82 109.24 -139.07 -94.44 113.78 58.97 40.79 0.24 51.79 4.87 0.58 0.06 0.18 0.00 41.72 0.81 92 R C C 69.85 16.16 13.73 29.79 101.33 172.99 -98.16 10.08 86.40 8.86 4.73 67.39 10.90 7.66 1.03 4.13 0.00 6.69 2.20 93 S C T 76.95 4.48 14.76 20.86 103.79 130.10 -66.00 90.03 89.98 3.10 6.92 18.61 17.85 53.17 0.91 6.38 0.01 1.91 1.16 94 G C T 60.92 1.49 15.34 16.46 97.72 0.05 83.60 -0.46 90.73 1.49 7.77 10.22 25.86 54.45 0.77 7.23 0.00 0.86 0.61 95 F C C 93.39 10.76 9.70 21.00 121.98 98.54 -100.69 147.75 88.47 5.71 5.83 50.23 29.63 8.27 1.42 4.53 0.00 2.79 3.12 96 K C C 147.14 2.27 17.93 20.42 113.70 -121.63 -86.50 131.91 92.90 4.11 2.99 72.18 14.14 6.49 0.96 2.03 0.00 2.43 1.77 97 Y C C 94.34 16.00 10.44 25.52 114.27 -128.60 -90.20 127.38 92.83 3.75 3.42 76.29 11.41 4.86 1.71 1.65 0.00 1.78 2.31 98 H C C 100.67 4.97 16.60 23.03 130.50 166.36 -137.06 158.69 93.92 1.21 4.86 80.77 10.15 2.48 4.60 0.75 0.00 0.44 0.80 99 G H H 46.12 3.14 19.33 22.85 111.78 -32.02 61.88 -132.67 20.47 0.12 79.41 4.24 8.76 7.78 77.94 1.14 0.03 0.03 0.08 100 R H H 86.74 14.51 18.68 32.61 93.17 -3.70 -67.24 -33.92 4.76 0.03 95.21 0.93 0.75 2.89 94.56 0.85 0.01 0.01 0.01 101 I H H 10.02 23.87 17.37 40.76 91.87 54.84 -64.18 -41.69 1.50 0.02 98.48 0.43 0.17 0.79 97.96 0.63 0.00 0.01 0.00 102 K H H 92.91 9.66 24.77 34.52 91.53 52.32 -62.89 -41.30 0.41 0.00 99.59 0.10 0.03 0.19 99.43 0.24 0.00 0.00 0.00 103 A H H 29.16 8.38 25.56 35.12 91.56 51.00 -63.86 -42.24 0.26 0.00 99.74 0.04 0.01 0.15 99.68 0.12 0.00 0.00 0.00 104 L H H 5.76 24.19 23.50 46.96 92.14 49.37 -64.69 -42.92 0.20 0.00 99.80 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 105 A H H 6.41 21.71 22.72 43.94 91.14 50.41 -62.27 -43.56 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 106 D H H 72.03 4.31 28.55 33.25 91.41 50.23 -63.64 -41.79 0.34 0.00 99.66 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 107 A H H 14.32 13.22 22.83 37.08 91.55 50.74 -63.25 -42.89 0.35 0.00 99.65 0.05 0.02 0.22 99.61 0.10 0.00 0.00 0.00 108 A H H 2.62 25.10 16.67 42.28 91.25 50.36 -63.39 -42.73 0.68 0.00 99.31 0.11 0.05 0.44 99.12 0.27 0.00 0.00 0.00 109 R H H 120.66 9.08 20.79 30.34 91.71 49.85 -63.21 -41.07 2.35 0.03 97.62 0.43 0.22 1.64 97.05 0.62 0.01 0.01 0.02 110 E H H 137.01 2.18 21.20 23.17 90.59 53.17 -65.39 -28.97 9.46 0.02 90.52 0.38 0.43 8.72 89.81 0.63 0.01 0.01 0.01 111 G C T 24.54 13.32 14.34 28.27 93.20 54.93 -86.73 -0.93 79.95 0.04 20.01 0.64 1.40 76.39 20.87 0.67 0.00 0.01 0.03 112 G C T 50.82 2.61 21.13 23.70 97.78 -101.06 87.37 9.67 99.25 0.14 0.62 3.70 2.19 93.59 0.29 0.13 0.00 0.07 0.04 113 L C C 20.93 21.98 9.26 30.42 116.82 143.36 -84.24 137.88 95.41 4.24 0.35 93.28 2.00 0.58 0.13 0.17 0.00 3.11 0.73 114 E C C 131.09 2.73 22.15 25.11 114.04 -138.08 -92.24 129.14 69.25 30.39 0.36 69.51 0.64 0.69 0.15 0.15 0.00 21.16 7.69 115 F C C 53.92 21.30 13.70 33.46 116.52 -159.09 -99.60 130.05 96.87 3.12 0.01 97.60 0.07 0.01 0.00 0.00 0.00 2.17 0.14