# 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 D C C 101.60 3.83 20.35 24.38 103.41 -137.10 -82.16 52.93 99.85 0.15 0.00 99.77 0.10 0.02 0.00 0.00 0.00 0.10 0.00 1 I C C 38.23 20.17 10.71 29.61 118.34 142.02 -100.86 130.31 58.75 41.13 0.12 57.77 0.56 0.20 0.03 0.06 0.00 40.48 0.89 2 Q E E 100.31 4.97 21.17 27.12 123.16 -168.63 -117.79 136.75 23.93 75.87 0.20 21.58 1.79 0.33 0.07 0.12 0.00 75.20 0.90 3 M E E 51.01 19.86 13.21 32.04 122.31 -157.80 -112.57 135.17 14.02 85.83 0.15 13.06 0.83 0.17 0.06 0.08 0.00 84.54 1.26 4 T E E 63.25 7.98 20.80 29.46 124.61 -170.97 -122.09 142.23 20.27 79.54 0.19 17.93 1.91 0.31 0.07 0.11 0.00 77.89 1.79 5 Q E E 74.22 14.43 15.61 29.77 126.22 -160.88 -122.67 141.32 49.62 50.13 0.25 37.84 11.19 0.93 0.06 0.22 0.00 48.34 1.41 6 S C C 53.59 10.39 16.76 27.74 119.98 -140.47 -101.67 146.58 84.87 14.92 0.21 62.18 21.01 1.20 0.03 0.21 0.00 14.60 0.77 7 P C C 57.39 8.84 16.69 26.45 116.76 6.83 -73.19 153.67 86.61 8.34 5.05 49.05 24.84 12.14 0.43 5.24 0.00 7.65 0.65 8 S C S 71.53 7.98 16.53 25.47 97.03 -143.43 -81.05 -20.44 76.85 18.23 4.92 25.13 38.86 12.95 0.38 4.57 0.01 17.09 1.01 9 S E E 57.91 6.42 19.85 27.48 134.17 22.33 -144.00 149.05 32.13 61.73 6.13 22.22 7.72 4.52 0.74 4.81 0.01 59.04 0.93 10 L E E 34.19 19.54 14.33 33.20 130.32 -174.81 -136.70 142.45 13.00 86.51 0.49 11.13 1.85 0.41 0.19 0.27 0.00 85.26 0.87 11 S E E 66.44 6.24 22.85 30.43 125.03 -159.34 -120.42 143.16 8.48 91.29 0.23 7.36 1.01 0.23 0.10 0.12 0.00 90.39 0.78 12 A E E 14.83 19.07 14.32 33.40 138.19 167.66 -146.88 159.20 22.10 77.56 0.34 18.58 2.95 0.51 0.11 0.22 0.00 76.81 0.82 13 S E E 55.93 4.81 23.41 28.06 123.70 -115.20 -92.64 157.06 40.79 58.53 0.67 33.05 6.31 1.61 0.23 0.55 0.00 54.34 3.91 14 V C T 60.43 15.25 13.95 29.09 109.34 -84.64 -61.17 134.46 91.08 6.74 2.18 3.67 11.72 76.33 0.23 1.89 0.00 5.18 0.99 15 G C T 45.13 4.87 19.64 25.22 96.39 22.64 88.93 -6.37 96.50 1.87 1.63 4.52 15.46 76.45 0.13 1.62 0.00 1.54 0.29 16 D C S 63.00 8.51 17.57 27.07 123.47 114.64 -85.26 155.78 91.22 7.54 1.24 37.01 48.77 5.75 0.15 1.16 0.00 6.25 0.92 17 R C C 128.86 7.89 19.39 28.30 118.02 -118.61 -90.11 136.14 68.42 31.50 0.08 65.02 2.02 0.20 0.01 0.06 0.00 32.20 0.49 18 V E E 12.79 22.29 14.16 36.44 126.83 -168.11 -124.24 140.35 2.94 97.06 0.00 2.85 0.07 0.00 0.00 0.00 0.00 96.92 0.15 19 T E E 63.39 7.69 25.08 33.25 118.01 -147.93 -107.81 128.52 0.64 99.36 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.35 0.01 20 I E E 5.37 25.50 16.27 42.54 120.48 -167.01 -114.78 129.17 1.79 98.21 0.00 1.65 0.05 0.00 0.00 0.00 0.00 98.28 0.02 21 T E E 43.84 9.15 26.94 36.86 120.98 -164.23 -112.08 133.82 6.72 93.28 0.00 6.12 0.21 0.01 0.00 0.00 0.00 93.60 0.06 22 C E E 4.15 25.83 16.49 42.87 126.80 -170.48 -124.51 140.51 8.36 91.63 0.01 7.68 0.29 0.01 0.00 0.00 0.00 91.89 0.12 23 R E E 102.62 7.43 27.31 35.52 121.48 -162.42 -117.31 131.68 5.53 94.46 0.01 5.29 0.22 0.02 0.00 0.01 0.00 93.81 0.64 24 T E E 13.62 23.49 14.25 37.23 125.03 -163.30 -108.56 146.59 29.62 70.27 0.11 28.47 1.11 0.15 0.03 0.07 0.00 67.88 2.28 25 S C C 45.85 8.14 19.94 28.71 116.43 -133.79 -87.34 161.37 77.65 21.72 0.62 59.79 15.09 2.27 0.10 0.62 0.00 20.68 1.44 26 E C S 122.62 5.14 17.32 23.26 103.20 -82.41 -80.26 -13.40 92.15 5.51 2.34 13.42 48.59 30.44 0.19 2.14 0.00 4.49 0.72 27 N C C 102.26 4.28 18.95 23.81 111.14 42.11 -92.97 112.03 93.83 4.12 2.05 40.53 25.18 28.06 0.21 2.19 0.00 3.17 0.66 28 V C C 38.01 18.89 12.61 30.38 115.12 -148.83 -93.97 128.02 87.61 9.92 2.48 58.83 19.05 9.48 0.44 2.43 0.00 6.82 2.95 29 N C C 83.68 7.65 21.54 29.35 108.66 -158.80 -95.95 81.54 89.52 9.37 1.11 58.22 21.53 9.64 0.14 1.21 0.00 8.23 1.04 30 N C S 52.78 14.64 19.01 33.17 115.50 112.66 -104.32 140.18 77.27 22.16 0.57 36.31 37.57 3.23 0.06 0.55 0.00 21.41 0.86 31 C E E 32.18 13.01 23.74 37.04 127.88 -104.15 -122.92 147.45 26.39 73.47 0.14 23.31 2.36 0.28 0.02 0.11 0.00 73.27 0.63 32 L E E 4.33 25.79 18.77 45.13 122.52 -153.89 -116.01 135.66 3.82 96.17 0.01 3.54 0.22 0.01 0.00 0.00 0.00 96.07 0.15 33 N E E 33.23 14.16 27.53 41.83 124.31 -165.75 -115.64 140.73 1.08 98.91 0.00 0.98 0.04 0.00 0.00 0.00 0.00 98.95 0.02 34 W E E 10.48 24.21 20.71 44.94 124.28 -157.67 -113.25 139.71 0.80 99.20 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.22 0.01 35 Y E E 30.52 15.19 23.69 39.25 131.09 -173.96 -129.69 150.55 0.63 99.37 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.39 0.03 36 Q E E 39.05 15.16 20.49 35.91 124.54 -151.22 -117.14 137.55 3.06 96.93 0.00 2.52 0.27 0.01 0.00 0.00 0.00 97.11 0.09 37 Q E E 56.55 12.87 15.74 29.40 119.58 -151.89 -106.87 134.80 32.44 67.54 0.02 29.15 2.15 0.09 0.00 0.02 0.00 67.64 0.94 38 K C C 96.88 6.34 14.87 22.64 118.98 -137.26 -92.37 144.53 97.50 2.46 0.04 94.79 2.68 0.24 0.01 0.03 0.00 1.84 0.40 39 P C T 104.06 3.69 11.14 16.87 109.63 -86.41 -58.96 134.24 99.52 0.14 0.34 0.62 4.36 94.55 0.01 0.34 0.00 0.09 0.03 40 G C T 69.29 0.27 12.64 10.27 96.25 17.29 82.94 -2.65 99.54 0.10 0.36 0.73 4.31 94.48 0.01 0.39 0.00 0.07 0.02 41 K C S 110.81 4.17 10.32 16.65 128.64 92.07 -114.42 159.78 94.04 5.56 0.40 32.49 60.19 1.52 0.08 0.34 0.00 2.01 3.37 42 A C C 76.00 2.45 16.23 19.02 116.04 -96.15 -70.10 148.08 97.16 2.81 0.03 87.28 9.93 0.17 0.01 0.03 0.00 2.22 0.37 43 P C C 46.03 17.46 10.72 27.38 115.04 -103.98 -65.19 145.32 90.38 9.58 0.03 88.67 1.77 0.14 0.00 0.03 0.00 9.08 0.31 44 K E E 102.12 6.74 20.82 28.42 123.12 -152.34 -116.96 136.92 12.35 87.57 0.08 10.69 1.56 0.15 0.02 0.05 0.00 86.82 0.72 45 L E E 64.71 15.35 17.43 32.45 110.93 -118.21 -75.40 126.02 1.22 98.77 0.01 1.11 0.05 0.01 0.00 0.00 0.00 98.79 0.04 46 L E E 27.17 17.01 20.22 37.35 101.41 175.82 -95.79 -34.66 2.76 97.22 0.02 1.78 0.80 0.03 0.00 0.00 0.00 97.36 0.02 47 I E E 17.80 19.45 20.79 40.10 136.34 5.26 -147.83 142.34 0.38 99.62 0.01 0.31 0.02 0.00 0.00 0.00 0.00 99.65 0.01 48 Y E E 61.53 17.34 20.61 37.10 126.54 -171.39 -130.39 134.77 1.66 98.31 0.03 1.43 0.08 0.01 0.01 0.00 0.00 98.40 0.06 49 R E E 71.58 14.30 20.89 34.74 122.83 -171.42 -121.30 131.65 23.86 75.40 0.74 18.91 3.99 0.86 0.32 0.35 0.00 75.05 0.51 50 T C C 46.38 13.21 17.61 31.01 122.25 -164.44 -118.97 142.24 58.71 31.21 10.08 37.71 14.27 7.76 2.62 6.72 0.02 29.47 1.43 51 S C S 61.58 8.46 17.69 26.39 104.90 -127.97 -90.37 -10.32 70.66 9.91 19.42 23.69 25.66 23.49 5.27 12.51 0.10 7.40 1.87 52 T C C 77.27 6.42 18.30 25.42 113.95 41.38 -107.73 113.06 66.16 12.81 21.03 30.52 17.10 20.61 6.49 13.20 0.13 9.31 2.65 53 L C C 57.64 15.77 12.11 27.35 116.29 -142.16 -96.30 130.34 66.24 16.91 16.85 46.87 11.41 8.24 7.43 9.41 0.05 12.72 3.88 54 Q C C 94.92 7.88 15.37 24.33 117.68 -162.83 -102.07 133.62 70.83 17.86 11.31 50.53 10.11 9.73 5.45 5.89 0.02 13.78 4.50 55 R C T 160.89 4.08 15.09 20.92 113.30 -129.69 -88.00 131.87 77.81 14.92 7.27 25.20 16.91 37.13 2.94 3.82 0.05 10.78 3.17 56 G C T 51.12 4.05 16.52 21.65 102.32 18.07 85.62 -0.51 91.87 6.00 2.13 25.77 28.18 38.45 0.39 1.68 0.00 4.51 1.04 57 V C C 46.05 14.63 11.38 26.28 117.46 114.71 -99.69 130.00 88.71 10.66 0.63 59.14 28.33 1.83 0.22 0.45 0.00 6.13 3.90 58 P C C 66.66 7.94 17.10 26.06 108.27 -110.62 -66.62 146.36 87.30 7.07 5.63 47.37 18.43 21.59 1.05 4.89 0.00 5.40 1.28 59 S C C 60.08 11.54 16.08 27.49 99.84 -113.98 -81.74 1.70 80.38 11.81 7.81 38.55 20.25 22.58 1.19 6.66 0.02 9.32 1.44 60 R C C 111.16 9.46 19.66 29.34 112.54 99.09 -104.40 104.11 62.86 29.05 8.09 39.04 17.01 8.16 1.60 5.98 0.02 26.35 1.83 61 F E E 35.09 21.61 13.65 34.27 122.23 110.78 -109.83 136.86 26.25 72.47 1.28 21.63 4.20 1.29 0.64 0.73 0.00 68.79 2.72 62 S E E 56.21 6.95 22.73 30.87 132.73 -176.17 -136.21 155.17 15.93 83.65 0.42 13.54 1.96 0.53 0.19 0.21 0.00 82.32 1.24 63 G E E 24.00 16.84 15.80 31.72 138.31 131.73 -152.39 167.91 18.86 80.84 0.30 15.03 3.43 0.80 0.08 0.19 0.00 79.47 0.99 64 T E E 83.91 5.07 20.78 27.36 130.01 -149.47 -134.80 149.52 28.22 71.45 0.33 23.15 4.32 1.05 0.09 0.26 0.00 69.81 1.34 65 G C E 30.07 12.07 14.97 27.32 136.37 140.78 108.73 168.31 52.48 47.08 0.44 34.38 15.58 3.56 0.06 0.47 0.00 44.58 1.36 66 S C S 75.11 3.84 20.50 24.97 116.66 -115.03 -119.32 107.56 68.35 30.14 1.52 25.71 28.93 15.31 0.18 1.55 0.01 25.32 3.00 67 G C S 32.26 10.62 18.49 29.01 109.91 -43.06 68.52 -129.35 96.35 2.30 1.35 5.53 51.29 39.67 0.06 1.41 0.00 1.70 0.35 68 T C S 58.45 13.58 17.19 30.63 98.74 -6.90 -99.12 -2.93 94.49 4.43 1.08 6.73 52.81 35.05 0.05 1.12 0.00 3.77 0.46 69 D E E 60.72 8.85 22.14 32.04 119.01 86.09 -103.14 130.36 42.13 57.47 0.40 28.08 12.67 2.41 0.07 0.44 0.00 52.34 3.98 70 Y E E 11.68 23.98 16.29 40.40 129.32 -175.22 -129.40 143.83 21.38 78.60 0.02 19.81 0.90 0.07 0.00 0.01 0.00 78.52 0.69 71 T E E 36.77 10.65 26.97 38.53 124.91 -163.11 -119.79 137.11 7.49 92.51 0.00 6.60 0.45 0.01 0.00 0.00 0.00 92.72 0.22 72 L E E 3.32 25.95 19.03 45.81 119.95 -161.80 -112.86 129.00 0.88 99.12 0.00 0.95 0.01 0.00 0.00 0.00 0.00 99.03 0.01 73 T E E 41.60 10.09 27.18 38.03 120.08 -163.19 -114.77 129.50 0.26 99.74 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.69 0.02 74 I E E 7.30 24.16 16.28 41.06 117.24 -165.95 -113.47 124.86 3.38 96.62 0.00 3.48 0.04 0.00 0.00 0.00 0.00 95.90 0.59 75 S C C 49.91 6.98 23.05 30.19 121.48 -170.49 -101.35 156.89 93.71 6.20 0.09 49.82 36.94 5.94 0.00 0.15 0.00 6.87 0.27 76 S C S 67.32 4.46 24.06 28.62 99.09 10.91 60.41 62.44 99.18 0.77 0.04 9.71 82.69 6.82 0.00 0.06 0.00 0.64 0.08 77 L C C 16.45 24.14 10.18 33.85 113.35 -143.32 -74.64 131.86 99.41 0.58 0.01 98.02 1.46 0.03 0.00 0.00 0.00 0.21 0.28 78 Q C C 81.22 4.31 23.95 28.04 131.50 -174.85 -126.77 159.16 99.78 0.20 0.01 99.44 0.38 0.01 0.00 0.00 0.00 0.03 0.13 79 S H G 61.39 11.69 15.17 27.22 91.05 -103.88 -59.00 -32.12 3.13 0.02 96.85 0.16 0.19 1.95 0.19 97.49 0.00 0.01 0.00 80 E H G 128.43 3.30 21.36 25.31 89.75 63.01 -70.29 -16.82 2.69 0.03 97.28 0.09 0.15 1.79 0.13 97.82 0.00 0.02 0.00 81 D H G 11.76 21.35 15.80 37.62 93.66 60.41 -87.85 -3.88 3.54 0.05 96.40 0.41 0.33 1.61 0.18 97.42 0.00 0.04 0.00 82 F C C 50.20 17.37 19.27 36.61 118.11 106.62 -74.15 139.77 91.52 8.39 0.08 88.98 2.55 0.05 0.01 0.07 0.00 8.11 0.22 83 G E E 10.64 12.17 23.41 37.02 144.05 110.15 159.26 -171.71 2.89 97.10 0.00 2.70 0.16 0.01 0.00 0.00 0.00 96.92 0.21 84 T E E 38.98 12.65 25.25 38.37 121.85 -54.90 -109.22 137.71 0.52 99.48 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 85 Y E E 7.59 25.05 19.66 44.92 123.63 -164.73 -117.46 137.66 0.47 99.53 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.01 86 Y E E 34.04 15.93 27.18 42.97 129.86 -170.50 -125.07 145.96 1.97 98.03 0.01 1.70 0.10 0.01 0.00 0.00 0.00 98.12 0.06 87 C E E 2.96 25.31 21.34 46.95 123.32 -158.79 -115.79 135.90 9.66 90.11 0.22 8.30 0.88 0.19 0.09 0.10 0.00 90.23 0.22 88 Q E E 35.13 14.50 25.85 40.30 126.80 -169.56 -121.72 141.46 6.85 92.81 0.34 5.97 0.59 0.16 0.13 0.15 0.00 92.74 0.25 89 H E E 29.25 19.35 18.78 37.70 122.68 -155.59 -109.69 134.98 9.15 90.44 0.40 7.49 1.25 0.35 0.14 0.21 0.00 90.16 0.39 90 Y E E 87.36 10.35 19.20 30.26 119.70 -162.23 -113.20 131.50 20.89 78.64 0.47 16.95 3.15 0.83 0.14 0.30 0.00 77.52 1.12 91 Y C E 100.01 10.46 13.58 24.89 115.01 -175.77 -114.27 112.90 55.14 44.09 0.76 30.44 17.91 8.15 0.11 0.70 0.00 41.39 1.31 92 G C S 52.92 2.42 15.60 18.50 112.61 -28.39 89.58 -154.19 94.86 4.40 0.74 16.01 50.05 28.80 0.06 0.80 0.00 3.81 0.48 93 T C S 96.74 2.79 13.94 18.05 118.64 -14.87 -101.86 135.24 94.66 4.70 0.64 18.44 57.76 18.45 0.06 0.70 0.00 3.97 0.63 94 P C C 79.15 5.94 15.39 22.58 114.55 -50.78 -71.08 147.90 73.02 26.50 0.49 44.48 22.59 5.31 0.06 0.51 0.00 26.10 0.95 95 L E E 56.25 15.56 13.25 28.76 115.73 -126.34 -86.06 136.32 43.68 56.13 0.19 38.59 3.00 0.63 0.03 0.15 0.00 56.90 0.70 96 T E E 56.78 10.28 20.61 31.38 126.18 -166.04 -122.05 142.23 12.55 87.36 0.09 11.15 0.94 0.16 0.04 0.05 0.00 84.98 2.68 97 F E E 57.03 18.56 16.03 33.75 119.57 -152.57 -105.18 133.65 18.29 81.56 0.15 15.32 2.35 0.47 0.05 0.10 0.00 78.91 2.80 98 G C C 24.83 12.53 19.29 31.57 122.43 -153.23 -86.85 -170.48 61.23 38.59 0.18 46.45 11.78 1.86 0.03 0.17 0.00 38.94 0.78 99 G C C 43.31 7.16 22.01 29.14 105.33 -61.21 -73.59 3.14 74.77 25.09 0.13 59.16 12.30 1.43 0.01 0.14 0.00 26.52 0.44 100 G C C 19.78 16.76 16.06 31.86 126.34 -134.65 99.23 177.28 62.39 37.54 0.07 55.03 4.73 0.37 0.01 0.07 0.00 39.31 0.48 101 T E E 40.13 14.39 19.41 33.95 128.28 -107.30 -125.23 144.01 9.08 90.91 0.01 8.31 0.36 0.01 0.00 0.00 0.00 91.13 0.18 102 M E E 90.47 10.03 22.06 32.30 119.17 -141.01 -103.04 132.06 0.75 99.25 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.29 0.02 103 V E E 15.56 21.60 14.78 36.29 119.63 -163.56 -113.31 128.10 0.60 99.40 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 104 D E E 75.88 5.67 22.99 29.12 117.43 -158.70 -104.98 128.29 2.17 97.83 0.00 2.14 0.06 0.00 0.00 0.00 0.00 97.70 0.10 105 I E E 31.19 20.20 10.97 30.33 115.68 -158.98 -101.58 126.06 23.86 76.11 0.04 23.73 0.25 0.04 0.01 0.01 0.00 75.26 0.70 106 K C C 132.15 3.71 19.67 24.18 115.61 -155.35 -96.00 129.43 99.46 0.54 0.00 99.51 0.06 0.02 0.00 0.00 0.00 0.40 0.01