# 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 113.91 4.67 11.60 17.68 105.54 67.58 -81.42 66.78 99.66 0.07 0.26 99.49 0.12 0.14 0.19 0.01 0.00 0.03 0.02 1 F C C 130.95 3.88 9.54 15.01 104.13 90.51 -81.25 -14.08 67.78 0.49 31.73 61.09 1.17 4.10 32.31 0.92 0.00 0.19 0.23 2 D H H 96.49 2.29 10.69 14.00 100.86 56.00 -74.91 -32.42 38.28 0.24 61.47 28.82 4.09 4.15 61.73 1.02 0.00 0.08 0.10 3 K H H 137.06 2.35 11.32 14.83 94.64 26.60 -65.37 -38.58 8.72 0.07 91.21 4.84 1.29 2.65 90.18 0.98 0.00 0.03 0.03 4 K H H 119.17 3.20 13.22 17.45 92.75 52.19 -65.86 -40.26 3.97 0.04 95.99 1.93 0.59 1.49 95.20 0.76 0.00 0.02 0.01 5 A H H 50.53 3.38 14.12 18.81 92.20 50.73 -64.60 -40.94 2.22 0.02 97.76 0.97 0.30 0.87 97.43 0.41 0.00 0.01 0.01 6 A H H 47.41 3.34 15.04 19.57 91.71 50.50 -63.96 -41.26 1.76 0.01 98.23 0.75 0.19 0.67 98.16 0.21 0.00 0.01 0.00 7 R H H 110.40 5.42 16.04 22.39 92.28 50.19 -64.73 -41.02 1.18 0.01 98.81 0.43 0.12 0.49 98.81 0.14 0.00 0.00 0.00 8 L H H 74.59 6.13 16.25 23.60 91.95 50.31 -64.53 -41.14 0.97 0.01 99.02 0.32 0.09 0.43 99.04 0.12 0.00 0.00 0.00 9 R H H 130.56 2.47 19.02 21.13 92.04 50.09 -64.36 -41.66 1.01 0.01 98.98 0.29 0.09 0.48 99.04 0.10 0.00 0.00 0.00 10 R H H 119.13 3.73 19.04 23.02 92.01 49.32 -64.75 -41.32 1.18 0.01 98.82 0.32 0.10 0.58 98.88 0.11 0.00 0.00 0.00 11 A H H 28.58 11.01 15.42 27.73 91.92 50.74 -63.94 -41.41 1.47 0.01 98.52 0.37 0.12 0.74 98.63 0.13 0.00 0.00 0.00 12 K H H 112.14 4.47 19.09 24.35 91.93 50.51 -64.28 -41.26 1.49 0.01 98.51 0.36 0.14 0.74 98.62 0.13 0.00 0.00 0.00 13 K H H 117.63 2.21 20.92 22.13 91.86 49.79 -64.56 -41.45 1.54 0.01 98.45 0.40 0.15 0.75 98.52 0.17 0.00 0.00 0.00 14 T H H 42.76 9.72 17.95 28.66 92.05 49.59 -65.00 -41.50 1.97 0.01 98.02 0.50 0.17 1.02 98.05 0.25 0.00 0.00 0.00 15 R H H 83.58 13.08 17.22 30.25 91.90 51.05 -63.88 -40.80 2.02 0.01 97.96 0.50 0.19 1.08 97.87 0.36 0.00 0.00 0.00 16 A H H 50.45 3.85 19.57 23.84 91.53 51.44 -63.55 -40.78 2.86 0.02 97.12 0.74 0.28 1.57 96.48 0.91 0.00 0.01 0.01 17 H H H 101.25 3.86 19.88 23.89 92.06 50.77 -65.04 -40.57 4.71 0.06 95.23 0.97 0.47 3.09 93.98 1.43 0.01 0.03 0.01 18 I H H 30.16 15.77 13.83 30.03 92.51 50.52 -65.71 -40.66 6.14 0.14 93.72 1.83 0.85 3.53 91.33 2.31 0.02 0.08 0.04 19 R H H 124.05 8.26 16.16 25.36 92.30 52.54 -64.00 -39.25 10.55 0.22 89.23 2.98 1.18 6.38 83.57 5.65 0.03 0.15 0.07 20 F H H 155.14 1.60 17.45 18.71 92.46 52.49 -68.14 -29.89 20.66 0.22 79.12 3.01 1.94 15.47 74.35 4.95 0.06 0.12 0.10 21 L H H 84.37 6.96 15.07 23.16 95.19 53.12 -82.25 -9.70 43.45 0.37 56.18 6.95 6.71 30.08 51.93 3.85 0.08 0.15 0.26 22 G C T 41.68 5.66 18.34 25.00 97.78 -114.81 80.43 12.91 97.93 0.65 1.41 29.16 14.61 54.51 0.55 0.63 0.00 0.40 0.15 23 V C C 36.01 14.86 16.60 32.04 121.23 130.18 -101.83 140.04 93.13 6.49 0.38 68.00 23.27 1.68 0.07 0.30 0.00 6.29 0.38 24 Y E E 43.82 17.99 20.48 38.12 116.52 -133.54 -95.70 132.58 48.28 51.53 0.18 43.64 2.24 0.34 0.03 0.12 0.00 53.28 0.35 25 R E E 51.37 17.81 24.96 41.43 126.98 -168.36 -123.61 139.30 5.43 94.56 0.01 5.21 0.22 0.02 0.00 0.01 0.00 94.36 0.19 26 L E E 4.51 25.53 21.75 47.28 120.36 -154.12 -109.00 133.28 1.52 98.48 0.00 1.46 0.05 0.00 0.00 0.00 0.00 98.47 0.02 27 T E E 20.46 15.20 27.76 43.21 122.20 -166.01 -116.63 131.41 0.44 99.56 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 28 V E E 6.22 25.03 20.24 45.38 119.70 -164.02 -114.76 125.98 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 29 N E E 48.08 11.30 26.64 38.12 122.66 -172.03 -120.14 131.64 0.46 99.54 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.57 0.01 30 R E E 79.16 17.84 18.40 35.00 117.90 -155.32 -105.22 126.53 5.68 94.32 0.01 4.92 0.38 0.03 0.00 0.00 0.00 94.56 0.11 31 T C C 36.51 9.01 19.07 29.22 131.75 172.09 -121.72 173.48 77.74 22.23 0.02 75.56 1.13 0.07 0.00 0.01 0.00 22.98 0.25 32 P C S 88.63 6.34 17.47 24.94 91.53 -93.05 -63.07 -29.00 99.66 0.21 0.12 2.85 71.12 25.75 0.01 0.11 0.00 0.14 0.04 33 K C S 114.55 6.38 17.58 24.61 103.19 27.27 -107.73 -14.97 99.52 0.35 0.13 1.95 72.20 25.43 0.01 0.11 0.00 0.25 0.04 34 H E E 55.22 10.83 20.91 32.37 143.06 12.59 -157.27 159.79 26.98 72.99 0.02 21.60 4.15 0.15 0.00 0.02 0.00 73.80 0.28 35 I E E 7.28 23.99 17.45 42.20 120.62 -136.62 -114.04 130.14 0.80 99.20 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.22 0.01 36 Y E E 43.64 12.97 27.19 40.75 123.82 -167.81 -118.63 137.24 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 37 A E E 1.91 26.38 20.15 47.13 128.23 -171.90 -127.11 142.45 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 38 Q E E 32.44 15.16 28.65 44.02 127.15 -167.72 -124.26 139.15 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 39 I E E 3.47 25.31 22.78 48.59 117.33 -153.62 -106.17 126.39 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 40 I E E 16.86 15.86 23.59 40.14 127.40 -173.32 -123.98 143.37 0.59 99.41 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.34 0.09 41 S C C 16.30 13.50 19.43 34.09 117.99 -117.13 -73.08 155.79 65.56 34.42 0.02 64.35 0.67 0.05 0.00 0.01 0.00 34.63 0.29 42 P C T 56.94 14.68 15.17 30.12 90.95 -113.44 -62.36 -25.28 97.26 0.30 2.44 1.11 7.34 88.64 0.09 2.53 0.00 0.20 0.09 43 N C T 118.70 1.82 18.55 19.76 94.36 56.65 -85.31 -0.62 96.63 0.31 3.06 0.79 6.28 89.39 0.11 3.13 0.00 0.17 0.13 44 G C T 40.67 8.57 14.22 23.44 98.95 -99.60 87.03 4.47 95.77 0.62 3.61 8.12 23.41 63.21 0.18 4.46 0.00 0.37 0.24 45 G C C 43.13 6.10 16.76 23.81 98.54 112.65 -72.64 -17.92 98.57 0.73 0.70 57.01 20.59 20.95 0.10 0.69 0.00 0.47 0.19 46 E C C 110.29 4.55 19.94 25.28 121.98 64.59 -108.13 139.17 74.42 25.34 0.24 62.98 10.66 0.62 0.06 0.21 0.00 22.73 2.73 47 V E E 60.97 16.06 16.03 31.59 110.75 -124.52 -80.11 123.42 1.94 98.05 0.00 1.89 0.08 0.00 0.00 0.00 0.00 97.60 0.42 48 I E E 38.98 15.88 20.52 36.38 99.99 176.07 -94.49 -30.99 1.69 98.31 0.00 0.90 0.62 0.01 0.00 0.00 0.00 98.46 0.01 49 A E E 7.85 20.21 20.92 41.42 142.85 1.72 -158.17 152.32 0.18 99.82 0.00 0.13 0.01 0.00 0.00 0.00 0.00 99.85 0.00 50 Q E E 70.09 16.31 23.69 38.86 135.38 -170.87 -142.72 145.75 0.22 99.78 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.00 51 A E E 9.96 22.51 20.75 42.44 134.71 -176.68 -140.96 150.11 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 52 S E E 37.17 13.97 25.11 38.62 137.88 -175.82 -142.15 154.62 3.30 96.69 0.01 2.99 0.17 0.01 0.00 0.00 0.00 96.70 0.13 53 T E E 19.53 21.02 16.84 37.10 122.90 -143.86 -113.52 140.61 44.10 55.44 0.46 37.85 4.99 0.78 0.13 0.34 0.00 54.69 1.22 54 L C C 87.40 9.19 20.84 30.04 101.62 -156.78 -89.20 2.22 86.52 7.67 5.81 40.29 37.15 10.06 2.50 2.95 0.01 5.69 1.37 55 D C C 80.29 8.53 17.78 26.70 109.39 89.31 -86.89 110.90 74.26 2.43 23.31 34.81 24.67 15.56 11.93 10.48 0.03 1.09 1.43 56 G H G 40.70 8.92 15.97 25.50 96.70 -147.00 -60.83 -25.65 45.34 0.86 53.80 12.50 10.10 22.59 19.40 34.46 0.03 0.42 0.49 57 S H G 66.23 5.81 19.80 26.17 94.59 73.93 -73.46 -18.64 41.04 1.13 57.83 13.48 7.40 19.81 21.25 36.91 0.03 0.60 0.51 58 L H G 24.13 20.82 13.00 32.81 95.97 60.41 -80.98 -11.01 43.19 2.07 54.75 21.75 8.90 13.08 22.08 32.19 0.04 1.10 0.87 59 R C C 104.69 12.84 15.94 28.40 106.81 80.78 -87.32 64.29 68.94 2.74 28.32 43.14 12.24 13.78 17.77 10.09 0.02 1.26 1.69 60 S C C 78.40 4.00 16.44 21.68 109.44 119.11 -85.09 93.58 83.71 1.52 14.78 38.49 17.84 27.97 8.86 5.23 0.01 0.67 0.92 61 G C C 54.20 3.26 15.95 20.30 106.59 -15.31 85.85 -4.89 91.71 0.96 7.33 35.12 25.65 31.34 2.67 4.20 0.00 0.43 0.60 62 A C C 63.32 8.79 14.15 23.62 110.83 113.58 -88.10 127.42 89.74 1.58 8.68 49.57 22.75 17.57 2.99 5.36 0.00 0.67 1.10 63 T C C 77.04 8.55 16.47 25.63 112.36 -143.54 -92.87 122.15 89.73 2.04 8.22 39.39 25.50 25.48 3.27 4.26 0.00 0.86 1.24 64 G C C 36.29 11.77 17.67 28.96 105.05 -15.91 83.62 6.41 90.60 1.72 7.68 40.86 30.44 19.83 3.83 3.30 0.00 0.71 1.04 65 N C C 65.87 10.98 20.76 31.57 115.94 133.53 -96.42 138.52 74.06 1.96 23.99 42.63 27.05 4.24 22.64 1.51 0.01 0.47 1.46 66 A H H 36.43 17.74 18.25 34.59 94.63 -131.88 -64.35 -36.07 8.59 0.07 91.35 2.85 2.14 3.66 90.36 0.94 0.01 0.02 0.03 67 D H H 88.32 4.04 26.58 31.09 92.08 53.46 -65.04 -39.72 3.97 0.04 95.99 1.43 0.58 1.93 95.13 0.89 0.00 0.02 0.02 68 A H H 11.89 16.60 22.75 39.46 91.73 50.76 -64.67 -42.03 1.31 0.01 98.69 0.40 0.14 0.65 98.16 0.64 0.00 0.00 0.00 69 A H H 1.25 27.04 21.06 48.30 91.36 51.12 -64.04 -42.65 1.02 0.00 98.97 0.26 0.10 0.55 98.67 0.41 0.00 0.00 0.00 70 T H H 41.17 14.68 27.60 41.77 91.72 50.63 -63.78 -42.09 1.31 0.01 98.69 0.23 0.11 0.80 98.63 0.23 0.00 0.00 0.00 71 S H H 40.54 7.24 30.43 39.63 91.30 50.22 -63.78 -42.28 1.03 0.00 98.96 0.15 0.07 0.67 98.97 0.13 0.00 0.00 0.00 72 V H H 1.95 25.71 26.29 51.50 91.65 49.58 -64.10 -43.82 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.05 0.00 0.00 0.00 73 G H H 0.65 27.22 24.57 51.83 91.29 51.50 -63.06 -42.97 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 74 Q H H 73.70 10.08 29.53 40.67 91.56 50.56 -64.03 -41.69 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 75 L H H 38.39 11.00 28.88 41.36 91.46 49.82 -64.24 -42.69 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 76 I H H 1.00 27.49 25.25 52.77 91.54 49.13 -64.42 -43.78 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 77 A H H 3.23 24.30 23.07 46.85 91.08 51.41 -62.73 -43.54 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 78 E H H 95.69 4.14 29.11 33.76 91.21 49.80 -63.52 -42.26 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 64.84 11.97 25.43 37.43 91.87 48.99 -64.77 -41.73 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 A H H 0.77 27.70 15.71 44.63 90.75 50.67 -63.16 -43.12 0.09 0.00 99.91 0.00 0.00 0.06 99.89 0.03 0.00 0.00 0.00 81 K H H 100.76 11.23 20.82 31.97 91.08 50.37 -62.41 -41.44 0.29 0.00 99.71 0.01 0.01 0.27 99.56 0.16 0.00 0.00 0.00 82 A H H 84.46 1.63 22.50 23.26 90.21 53.45 -64.53 -29.15 3.59 0.00 96.41 0.03 0.05 3.81 95.85 0.25 0.00 0.00 0.00 83 A C T 34.53 13.68 15.55 29.92 92.39 54.73 -85.10 -4.37 75.01 0.01 24.98 0.17 0.50 74.48 24.37 0.47 0.00 0.00 0.01 84 G C T 43.77 3.68 23.71 27.88 97.50 -104.59 89.35 12.92 99.91 0.00 0.09 0.63 0.44 98.89 0.03 0.01 0.00 0.00 0.00 85 I C C 9.52 24.73 11.31 36.08 111.89 147.03 -81.77 122.45 90.40 9.56 0.04 91.06 0.33 0.04 0.01 0.01 0.00 8.14 0.42 86 T C C 75.01 6.33 24.16 31.31 101.61 171.69 -108.47 -12.04 84.75 15.21 0.04 72.72 10.41 0.23 0.00 0.04 0.00 16.32 0.27 87 K E E 83.67 9.73 25.48 36.15 130.77 39.96 -134.53 141.12 10.06 89.89 0.05 8.44 1.22 0.11 0.01 0.03 0.00 89.97 0.22 88 V E E 4.13 26.37 18.30 45.19 127.54 -171.07 -128.96 138.69 1.19 98.80 0.01 1.13 0.04 0.00 0.00 0.00 0.00 98.74 0.08 89 A E E 20.24 15.72 27.42 42.92 124.15 -164.24 -118.18 137.56 1.77 98.21 0.01 1.68 0.06 0.01 0.01 0.00 0.00 98.15 0.09 90 F E E 13.36 24.12 19.58 43.26 126.33 -169.01 -122.34 137.48 12.39 87.58 0.03 11.96 0.34 0.03 0.01 0.01 0.00 87.36 0.27 91 D E E 55.37 11.15 23.29 34.54 110.10 -137.83 -95.50 115.18 49.04 50.80 0.16 42.63 4.59 0.42 0.04 0.12 0.00 51.45 0.74 92 R C C 57.83 17.45 14.17 31.52 100.36 176.02 -102.00 7.48 86.69 10.81 2.50 74.12 8.12 3.98 0.55 2.20 0.00 8.90 2.13 93 S C T 72.51 5.60 15.08 22.41 105.70 136.61 -63.73 116.81 90.96 4.34 4.70 18.39 16.60 55.71 0.59 4.50 0.00 2.95 1.26 94 G C T 62.75 1.19 16.27 16.65 97.01 10.00 83.00 0.32 92.82 1.95 5.23 8.60 25.88 58.14 0.47 5.06 0.00 1.25 0.60 95 F C C 79.17 12.60 9.47 22.29 123.76 100.77 -102.33 148.14 90.48 5.66 3.85 54.87 29.06 6.08 0.88 3.22 0.00 2.83 3.06 96 K C C 149.68 2.02 18.75 20.73 113.55 -122.58 -87.00 130.25 94.93 3.49 1.58 77.51 12.43 4.88 0.48 1.13 0.00 1.99 1.58 97 Y C C 93.84 16.38 10.43 25.81 115.93 -129.49 -92.29 129.44 94.90 3.29 1.81 79.60 11.42 3.60 0.82 0.94 0.00 1.41 2.21 98 H C C 99.11 4.68 17.12 23.24 132.41 167.53 -137.98 161.64 95.57 1.11 3.32 81.26 12.01 1.84 3.19 0.49 0.00 0.36 0.84 99 G H H 47.51 2.99 19.39 22.73 109.71 -34.24 59.85 -131.02 17.10 0.08 82.82 2.75 7.03 7.49 81.58 1.03 0.03 0.02 0.06 100 R H H 86.92 14.09 18.58 32.31 93.06 2.47 -66.87 -33.86 4.63 0.02 95.35 0.74 0.67 2.99 94.76 0.82 0.01 0.01 0.01 101 V H H 8.76 23.66 16.97 40.24 91.78 53.68 -64.20 -41.90 1.45 0.01 98.53 0.38 0.16 0.79 98.06 0.60 0.00 0.01 0.00 102 K H H 93.03 9.15 24.64 34.00 91.55 52.23 -63.01 -41.39 0.38 0.00 99.62 0.09 0.03 0.18 99.49 0.21 0.00 0.00 0.00 103 A H H 29.82 7.94 25.33 34.39 91.48 50.84 -63.75 -42.25 0.22 0.00 99.78 0.03 0.01 0.13 99.73 0.10 0.00 0.00 0.00 104 L H H 7.12 23.49 22.99 45.87 92.06 49.29 -64.58 -42.81 0.15 0.00 99.85 0.01 0.01 0.10 99.81 0.06 0.00 0.00 0.00 105 A H H 7.74 20.87 22.30 42.75 91.26 50.47 -62.33 -43.45 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 106 E H H 95.60 3.69 28.09 31.73 91.47 50.07 -63.49 -41.87 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 107 A H H 15.76 12.11 22.10 35.49 91.54 50.61 -63.28 -43.06 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 108 A H H 3.09 24.18 15.69 40.51 91.29 50.32 -63.36 -42.76 0.39 0.00 99.61 0.05 0.02 0.26 99.54 0.12 0.00 0.00 0.00 109 R H H 122.12 8.62 19.71 28.98 91.73 50.22 -63.16 -41.03 1.41 0.01 98.59 0.20 0.11 1.03 98.30 0.35 0.00 0.00 0.00 110 E H H 141.30 1.74 20.21 21.45 90.57 52.97 -64.69 -29.36 7.39 0.01 92.60 0.21 0.28 6.96 92.13 0.42 0.01 0.00 0.00 111 N C T 62.02 11.32 14.24 26.50 93.50 52.73 -88.87 1.51 77.96 0.03 22.01 0.51 1.16 74.88 22.82 0.59 0.00 0.01 0.02 112 G C T 50.76 2.64 20.59 23.24 97.47 -100.75 86.02 9.85 99.41 0.11 0.48 3.23 1.68 94.69 0.22 0.11 0.00 0.05 0.03 113 L C C 20.42 21.91 9.20 30.26 116.76 143.55 -84.11 137.95 95.70 3.91 0.39 93.93 1.60 0.59 0.15 0.19 0.00 2.86 0.68 114 E C C 129.56 2.88 22.18 25.34 114.14 -139.68 -93.21 129.65 68.48 31.10 0.42 68.33 0.63 0.91 0.17 0.18 0.00 22.32 7.46 115 F C C 49.89 21.51 13.83 33.85 117.06 -159.86 -103.37 130.20 96.38 3.62 0.01 97.20 0.07 0.01 0.00 0.00 0.00 2.56 0.15