# 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 A C C 54.07 10.56 13.25 24.35 113.54 -131.63 -82.04 137.85 99.87 0.10 0.02 99.77 0.11 0.05 0.01 0.00 0.00 0.05 0.02 1 R C C 144.99 5.20 11.51 18.49 113.89 -129.87 -88.87 132.29 92.91 3.76 3.32 89.76 1.29 2.66 1.25 1.35 0.00 1.82 1.86 2 L C C 122.87 3.43 10.96 16.30 111.81 -135.41 -85.66 130.24 88.86 3.92 7.21 56.52 14.72 17.03 1.01 6.82 0.00 2.26 1.62 3 G C C 45.93 4.21 12.28 17.99 119.55 10.78 89.98 172.27 91.47 2.28 6.25 40.61 27.03 23.29 0.47 6.54 0.00 1.27 0.79 4 A C C 78.23 4.92 12.83 19.33 107.35 -76.06 -84.17 106.51 91.50 3.26 5.24 55.57 25.39 9.99 0.43 5.40 0.00 1.96 1.24 5 R C C 128.33 6.61 15.51 23.51 121.27 91.52 -106.19 136.98 94.46 5.37 0.17 61.77 32.57 0.66 0.05 0.12 0.00 2.82 2.01 6 P C C 65.87 10.07 18.57 28.96 115.26 -106.69 -68.90 149.61 93.93 5.75 0.32 58.04 28.02 7.99 0.04 0.41 0.00 4.55 0.95 7 C C C 14.86 22.57 14.67 36.66 116.06 -106.03 -81.50 139.75 71.88 27.70 0.43 48.81 15.45 7.06 0.06 0.53 0.00 26.73 1.36 8 G E E 20.07 10.91 24.44 35.74 132.15 166.18 -140.73 164.99 26.93 72.82 0.25 21.48 5.35 0.76 0.06 0.24 0.00 69.75 2.36 9 L E E 29.47 21.58 15.32 36.13 114.31 -109.04 -87.73 128.03 10.16 89.79 0.05 9.52 0.61 0.06 0.01 0.04 0.00 89.23 0.54 10 R E E 119.41 6.72 20.97 28.28 101.82 -166.84 -91.59 -35.16 11.32 88.65 0.03 6.76 4.28 0.19 0.00 0.02 0.00 88.68 0.07 11 E E E 96.76 8.09 19.30 28.22 133.31 -6.24 -142.58 142.69 1.38 98.61 0.01 1.06 0.14 0.02 0.00 0.00 0.00 98.76 0.01 12 L E E 40.36 17.16 14.87 31.94 126.68 -171.67 -131.62 135.75 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 13 E E E 100.24 7.42 21.36 29.62 117.67 -153.18 -108.43 126.99 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 14 V E E 16.49 18.39 15.08 33.98 131.22 172.26 -133.11 148.48 3.01 96.99 0.00 2.82 0.06 0.00 0.00 0.00 0.00 97.08 0.04 15 R E E 90.25 6.42 24.06 30.54 120.12 -127.51 -89.54 149.32 12.20 87.73 0.07 12.03 0.45 0.03 0.04 0.02 0.00 86.22 1.21 16 V H G 10.12 23.12 13.33 36.75 91.77 -118.43 -59.70 -37.65 11.45 0.51 88.03 1.71 1.51 8.10 19.18 68.95 0.01 0.48 0.05 17 S H G 57.24 6.87 18.11 26.00 91.05 58.64 -63.60 -34.65 5.97 0.08 93.95 0.59 0.53 4.57 15.50 78.73 0.00 0.07 0.01 18 E H G 114.50 4.88 18.62 24.48 90.98 57.31 -67.45 -26.02 6.90 0.08 93.02 0.50 0.63 5.60 12.47 80.73 0.00 0.05 0.01 19 L H G 32.24 17.32 13.56 31.12 93.61 52.13 -89.80 0.05 28.90 0.17 70.93 0.68 2.56 26.18 7.28 63.06 0.03 0.08 0.14 20 G C T 51.27 3.20 21.32 24.45 94.85 -106.32 81.76 12.74 99.36 0.09 0.55 2.20 5.10 92.18 0.09 0.35 0.00 0.04 0.04 21 L C C 33.85 17.02 13.23 30.35 98.34 117.53 -94.66 -2.45 97.10 2.06 0.84 68.91 22.90 4.74 0.22 0.67 0.00 0.76 1.79 22 G C C 27.67 7.40 19.01 27.20 124.92 -129.35 89.73 -153.82 95.46 2.16 2.38 71.25 17.09 6.18 0.45 2.38 0.00 0.86 1.79 23 Y C T 121.53 10.61 14.65 25.43 97.52 -50.96 -70.76 -18.16 91.78 1.57 6.64 10.77 29.52 50.14 0.41 7.58 0.00 0.80 0.79 24 A C T 84.69 2.63 18.42 21.08 97.97 54.94 -84.85 -0.72 91.97 1.71 6.32 19.58 24.39 46.53 0.39 7.54 0.00 0.91 0.66 25 S C C 28.69 13.42 11.74 25.92 122.80 108.68 -90.59 156.15 95.74 2.14 2.12 53.02 38.48 4.20 0.31 1.99 0.00 1.06 0.95 26 D C C 103.53 3.98 19.82 24.66 99.64 -127.35 -85.83 28.34 95.30 4.35 0.34 81.23 11.39 2.53 0.04 0.37 0.00 3.92 0.51 27 E C C 42.63 16.06 14.43 30.76 121.66 138.74 -97.80 143.87 56.18 43.77 0.05 51.41 3.56 0.16 0.01 0.04 0.00 44.21 0.61 28 T E E 49.00 11.18 21.74 33.44 122.74 -155.04 -115.70 135.41 1.70 98.30 0.00 1.55 0.07 0.00 0.00 0.00 0.00 98.30 0.07 29 V E E 12.43 21.80 17.78 39.70 121.95 -163.32 -116.18 130.85 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 30 L E E 46.33 11.08 25.36 37.09 115.28 -153.07 -102.32 123.86 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 31 F E E 9.83 24.31 18.30 42.63 121.19 -166.44 -113.27 131.32 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 32 R E E 77.61 12.77 26.18 38.52 122.58 -169.42 -116.60 132.26 1.06 98.94 0.00 0.87 0.06 0.00 0.00 0.00 0.00 99.05 0.01 33 Y E E 37.46 20.36 22.09 41.23 123.54 -160.07 -111.59 136.26 5.25 94.72 0.02 4.56 0.36 0.03 0.01 0.01 0.00 94.91 0.12 34 C E E 14.92 19.71 20.32 39.64 121.37 -160.00 -112.60 137.09 14.50 85.46 0.04 13.56 0.61 0.06 0.01 0.03 0.00 84.70 1.03 35 A E E 37.26 13.42 21.44 34.61 126.27 -175.74 -119.46 153.71 34.83 65.02 0.15 30.83 2.92 0.35 0.05 0.11 0.00 63.37 2.37 36 G C S 26.80 9.27 19.92 29.81 131.45 49.41 110.69 -169.93 74.63 24.75 0.62 19.47 49.60 5.19 0.10 0.52 0.00 23.85 1.27 37 A C S 74.85 5.38 20.34 26.14 98.99 -42.16 -82.39 1.30 86.97 11.30 1.73 33.33 47.21 7.04 0.46 1.24 0.00 8.42 2.31 38 C C C 27.80 16.93 11.96 28.75 107.63 108.35 -92.46 93.42 90.97 4.69 4.33 81.40 7.57 2.02 2.99 1.30 0.00 2.51 2.21 39 E H H 123.04 4.86 18.31 24.52 94.81 -163.96 -67.11 -37.43 18.67 0.37 80.96 8.12 4.89 7.27 74.33 5.00 0.04 0.17 0.18 40 A H H 59.60 4.54 20.61 25.18 92.85 51.71 -66.09 -40.44 11.40 0.19 88.41 2.84 2.04 6.74 82.28 5.82 0.08 0.11 0.08 41 A H H 21.44 15.42 17.34 32.90 92.64 48.88 -67.14 -38.29 8.86 0.20 90.93 3.78 1.27 4.02 84.83 5.88 0.02 0.13 0.07 42 A H H 20.17 17.57 17.16 34.40 92.07 52.85 -64.04 -40.72 6.53 0.12 93.35 2.69 0.97 3.00 90.25 2.96 0.02 0.07 0.04 43 R H H 131.65 4.45 24.16 28.68 92.00 50.83 -64.99 -40.51 7.86 0.13 92.00 2.10 0.95 4.68 90.23 1.88 0.04 0.07 0.04 44 V H H 55.09 9.14 23.22 32.52 92.17 49.19 -65.69 -41.94 6.95 0.08 92.96 2.05 0.82 3.87 92.06 1.11 0.01 0.04 0.03 45 Y H H 19.52 21.46 19.81 40.58 92.26 50.40 -65.11 -41.57 3.59 0.03 96.37 1.50 0.40 1.52 96.14 0.41 0.00 0.01 0.02 46 D H H 37.47 14.34 22.27 36.35 91.66 51.83 -63.75 -41.84 1.14 0.01 98.86 0.49 0.09 0.43 98.87 0.11 0.00 0.00 0.00 47 L H H 74.23 4.35 25.33 29.50 91.40 50.15 -64.19 -41.92 0.18 0.00 99.82 0.04 0.01 0.10 99.82 0.03 0.00 0.00 0.00 48 G H H 10.85 13.94 21.16 35.84 91.83 50.52 -63.91 -42.43 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 49 L H H 12.80 21.18 18.65 39.60 91.83 49.97 -64.36 -41.88 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 50 R H H 110.00 6.73 22.43 29.41 91.50 51.82 -63.20 -41.32 0.23 0.00 99.77 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 51 R H H 105.75 4.22 21.49 25.67 91.74 50.33 -64.61 -41.36 0.56 0.00 99.44 0.05 0.02 0.39 99.43 0.10 0.00 0.00 0.00 52 L H H 19.56 14.54 15.10 30.98 92.01 50.52 -65.28 -41.28 1.08 0.01 98.92 0.15 0.07 0.73 98.79 0.26 0.00 0.00 0.00 53 R H H 82.83 11.52 14.11 26.21 92.10 51.13 -64.95 -39.60 3.52 0.02 96.46 0.39 0.23 2.69 96.24 0.44 0.01 0.01 0.01 54 Q H H 127.73 1.80 15.58 17.53 92.03 52.51 -66.76 -31.66 12.25 0.04 87.71 0.64 0.66 10.67 87.42 0.55 0.02 0.01 0.02 55 R C T 134.39 3.53 12.95 17.72 95.01 51.28 -86.03 -3.52 69.40 0.19 30.41 2.85 5.45 58.06 32.33 1.10 0.01 0.06 0.14 56 R C T 171.35 3.19 12.87 17.96 95.68 -121.84 59.60 28.18 87.41 0.34 12.25 9.26 11.15 66.18 11.21 1.82 0.00 0.14 0.23 57 R C C 146.53 3.60 14.03 18.93 97.51 126.56 -83.67 -10.55 91.04 1.39 7.58 44.62 28.93 17.58 4.16 3.25 0.00 0.56 0.88 58 L C C 40.68 14.81 9.10 23.78 127.22 45.33 -125.00 148.27 90.28 2.75 6.97 46.67 37.56 6.04 3.85 3.04 0.00 1.16 1.68 59 R C C 138.18 2.54 17.42 19.62 114.36 -112.01 -77.84 143.36 93.96 1.14 4.90 88.98 3.34 2.14 2.51 1.81 0.00 0.55 0.68 60 R H G 133.45 10.32 10.77 21.65 93.66 -121.68 -60.35 -34.26 26.58 1.11 72.31 10.19 4.81 11.66 8.73 63.61 0.01 0.71 0.28 61 E H G 151.02 1.31 15.47 16.54 92.68 63.16 -69.94 -19.66 26.18 0.73 73.09 5.18 4.30 15.93 8.74 65.16 0.01 0.48 0.19 62 R H G 128.46 5.83 14.78 21.75 97.41 54.74 -89.51 -5.67 26.06 1.52 72.41 8.93 5.26 12.31 8.25 63.80 0.01 1.13 0.32 63 V C C 33.68 18.74 9.56 27.15 114.70 95.35 -87.68 126.95 78.94 7.14 13.92 56.41 17.49 4.52 8.13 5.90 0.01 3.05 4.50 64 R C C 118.77 6.57 17.86 25.34 117.31 -160.05 -101.08 135.68 89.27 6.48 4.25 78.06 7.26 3.45 2.45 1.74 0.00 3.30 3.75 65 A C C 67.23 9.59 15.80 26.02 100.05 -136.06 -77.45 2.82 94.44 4.00 1.56 60.33 30.35 4.03 0.55 0.95 0.00 2.13 1.66 66 Q C C 93.25 7.01 20.12 28.00 123.43 97.18 -110.72 139.99 97.02 2.85 0.12 48.93 47.79 0.81 0.03 0.09 0.00 1.70 0.65 67 P C C 44.59 16.17 18.71 34.24 114.10 -104.42 -66.67 147.74 92.96 6.58 0.46 80.02 9.99 2.81 0.09 0.48 0.00 4.83 1.78 68 C C S 22.09 19.12 21.96 39.98 113.18 -152.63 -108.08 -16.02 78.47 20.80 0.72 35.96 38.71 4.54 0.16 0.71 0.00 14.63 5.28 69 C C E 9.24 23.13 20.87 43.43 121.07 40.33 -111.94 137.47 51.54 48.00 0.45 31.89 18.99 1.94 0.13 0.43 0.00 36.55 10.05 70 R C C 74.87 13.87 26.22 39.77 121.90 -163.43 -111.32 132.65 55.23 44.71 0.06 47.40 7.37 0.18 0.02 0.05 0.00 42.91 2.07 71 P E E 15.65 22.44 16.83 39.09 113.92 -110.88 -66.91 143.90 36.88 62.81 0.31 36.29 0.84 0.19 0.18 0.17 0.00 48.10 14.23 72 T C S 68.23 8.31 22.15 30.97 98.54 -158.25 -88.72 -26.15 79.03 18.34 2.63 25.94 44.22 9.63 0.38 2.30 0.01 15.62 1.90 73 A C S 49.22 6.20 23.55 30.24 138.04 7.49 -148.33 155.37 64.32 31.63 4.05 25.75 29.91 10.97 0.69 3.44 0.02 25.15 4.07 74 Y C C 62.70 19.96 12.94 31.55 124.15 -146.53 -118.32 138.23 70.68 22.32 7.00 59.45 7.47 3.46 1.83 5.54 0.00 18.71 3.55 75 E C C 82.02 9.53 16.81 26.97 116.39 -135.38 -90.40 154.58 70.47 8.77 20.76 51.67 8.79 8.87 2.69 19.34 0.00 7.39 1.24 76 D C T 113.25 3.23 17.80 21.99 97.47 -97.43 -75.81 -17.30 68.90 4.46 26.64 11.60 22.27 35.90 2.19 23.71 0.02 3.45 0.86 77 E C T 104.49 6.96 18.79 26.23 103.58 54.75 -96.06 16.34 62.74 13.00 24.27 20.56 13.83 29.76 2.04 21.30 0.01 11.66 0.85 78 V E E 13.37 21.79 13.40 35.00 121.11 117.95 -104.23 136.63 43.49 54.99 1.52 35.96 6.43 1.35 0.32 1.12 0.00 53.89 0.93 79 S E E 25.62 11.21 24.36 36.26 132.33 -161.24 -127.18 154.02 5.22 94.74 0.04 4.93 0.29 0.04 0.01 0.02 0.00 94.49 0.23 80 F E E 19.55 20.81 18.15 38.75 131.84 -162.96 -131.33 147.07 0.79 99.20 0.01 0.72 0.05 0.01 0.00 0.00 0.00 99.17 0.05 81 L E E 45.50 10.99 18.36 30.88 117.92 -138.90 -104.39 132.25 2.12 97.87 0.01 1.95 0.14 0.01 0.01 0.00 0.00 97.33 0.55 82 D C C 36.43 10.67 14.09 26.27 125.86 -144.78 -87.52 176.71 90.34 9.61 0.05 89.80 0.65 0.12 0.01 0.03 0.00 8.87 0.52 83 A C T 78.27 5.90 12.81 20.38 91.71 -86.77 -65.00 -19.55 98.70 0.42 0.88 0.85 6.17 91.57 0.02 0.99 0.00 0.32 0.07 84 H C T 144.78 1.29 13.68 14.46 94.19 51.19 -92.01 6.03 99.01 0.10 0.90 0.72 6.07 92.08 0.02 1.02 0.00 0.06 0.03 85 S C S 65.94 8.08 11.24 20.70 93.96 -110.14 66.23 26.87 98.25 0.82 0.94 26.97 66.01 5.24 0.07 0.96 0.00 0.49 0.26 86 R C C 125.90 3.27 16.38 20.77 119.12 143.92 -93.27 142.92 86.72 13.24 0.04 84.76 2.16 0.12 0.01 0.03 0.00 12.00 0.93 87 Y E E 105.50 12.67 13.43 26.49 116.90 -125.83 -90.45 132.44 1.33 98.67 0.00 1.26 0.05 0.00 0.00 0.00 0.00 98.31 0.37 88 H E E 59.69 11.75 17.23 30.06 128.44 -173.63 -128.53 142.88 0.58 99.42 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.38 0.03 89 T E E 60.34 10.70 19.80 30.95 118.43 -134.89 -99.88 132.58 5.12 94.86 0.02 4.91 0.23 0.03 0.01 0.01 0.00 94.45 0.36 90 V C C 13.67 21.33 13.63 35.12 113.46 -152.54 -104.23 119.31 52.02 46.64 1.34 49.87 1.37 0.50 0.35 0.76 0.00 46.52 0.62 91 H C C 113.26 5.87 21.59 28.08 101.29 -175.05 -84.47 -23.76 62.82 27.53 9.65 31.11 18.10 13.42 1.67 8.20 0.01 26.67 0.83 92 E C C 112.25 6.07 22.57 28.93 100.44 29.12 -82.77 48.66 60.44 29.05 10.51 32.03 14.96 14.13 2.04 8.40 0.01 27.28 1.14 93 L C C 17.65 22.64 15.46 37.64 120.89 138.46 -103.69 138.83 51.08 40.80 8.12 42.05 6.15 3.00 3.50 4.66 0.01 37.29 3.34 94 S C C 25.03 13.56 24.92 38.28 131.30 134.86 -127.16 153.83 51.79 41.66 6.55 40.68 7.33 3.47 3.80 3.13 0.03 35.63 5.92 95 A C C 9.67 23.89 16.73 40.08 112.32 -128.14 -90.76 127.92 51.46 26.95 21.59 36.86 9.29 6.92 5.13 15.92 0.04 23.18 2.67 96 R C T 132.07 7.15 22.73 30.28 95.93 -141.44 -73.44 -27.84 56.01 23.38 20.61 13.94 21.82 23.29 2.87 16.44 0.08 19.62 1.94 97 E C E 113.63 5.48 23.69 29.62 100.71 26.55 -99.88 41.38 50.50 29.01 20.50 16.38 14.86 22.70 2.13 17.27 0.04 25.11 1.49 98 C C E 11.52 24.02 12.69 36.16 121.47 114.55 -97.03 141.37 53.38 43.86 2.76 40.47 10.98 2.71 0.86 2.04 0.01 40.55 2.38 99 A E E 38.91 9.63 25.13 34.95 137.90 170.18 -141.76 162.73 19.74 79.91 0.35 16.45 2.62 0.75 0.17 0.25 0.00 75.84 3.92 100 C E E 34.90 19.39 16.78 35.03 116.93 -107.16 -88.21 137.16 22.51 77.37 0.12 20.98 0.74 0.22 0.05 0.08 0.00 72.66 5.27 101 V C C 48.80 14.89 18.98 33.34 107.01 -143.07 -89.02 106.07 99.02 0.98 0.00 99.12 0.07 0.01 0.00 0.00 0.00 0.77 0.02