# 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 E C C 114.74 5.72 20.70 27.19 116.96 -151.54 -97.12 131.26 99.49 0.51 0.00 99.43 0.11 0.02 0.00 0.00 0.00 0.42 0.01 1 I C C 38.03 19.51 12.68 31.55 117.53 -150.27 -102.14 128.59 51.66 48.22 0.12 50.80 0.53 0.16 0.02 0.06 0.00 47.79 0.63 2 V E E 65.25 7.47 21.20 29.53 119.20 -164.81 -113.64 127.87 13.81 86.05 0.14 12.59 1.04 0.22 0.05 0.09 0.00 85.23 0.77 3 L E E 33.64 20.19 13.34 33.04 116.44 -153.85 -99.65 127.25 10.67 89.21 0.12 9.74 0.75 0.15 0.04 0.06 0.00 88.58 0.68 4 T E E 70.69 7.01 20.73 28.33 113.00 -169.86 -109.97 105.02 22.51 77.25 0.24 19.23 2.67 0.49 0.06 0.16 0.00 76.52 0.88 5 Q C E 72.97 12.92 15.24 28.30 125.15 38.13 -119.53 138.50 50.77 48.90 0.32 36.95 12.94 1.36 0.06 0.29 0.00 47.33 1.07 6 S C C 61.05 7.80 17.57 26.33 120.06 -132.96 -95.85 142.06 80.93 18.88 0.20 51.60 26.98 1.89 0.03 0.21 0.00 18.43 0.87 7 P C S 70.98 8.24 17.11 26.02 112.07 -20.44 -70.10 148.94 87.69 11.91 0.40 29.59 44.46 12.55 0.03 0.51 0.00 12.39 0.48 8 G E E 31.29 11.44 17.40 28.74 111.78 -158.82 -86.49 -132.60 48.89 50.72 0.38 24.52 18.57 6.09 0.03 0.46 0.00 49.79 0.55 9 I E E 87.47 8.74 19.56 29.02 127.25 -12.39 -126.23 136.55 15.08 84.85 0.06 13.44 1.22 0.13 0.01 0.05 0.00 84.76 0.38 10 L E E 25.40 20.05 15.10 34.79 125.03 -170.54 -123.09 137.35 2.80 97.19 0.00 2.58 0.13 0.01 0.00 0.00 0.00 97.17 0.11 11 S E E 65.39 6.47 23.65 31.10 120.72 -155.90 -111.99 132.75 2.47 97.53 0.00 2.19 0.15 0.01 0.00 0.00 0.00 97.57 0.08 12 L E E 18.40 20.84 13.51 34.07 133.46 174.66 -137.71 153.34 14.78 85.21 0.01 14.06 0.60 0.02 0.00 0.01 0.00 84.26 1.05 13 S C C 54.05 4.52 23.13 27.31 121.76 -122.97 -86.36 157.11 93.31 6.66 0.03 92.26 1.26 0.11 0.01 0.02 0.00 5.86 0.49 14 P C T 65.83 12.83 14.27 27.39 109.68 -80.57 -59.60 135.64 99.23 0.38 0.39 0.30 2.98 96.14 0.02 0.27 0.00 0.21 0.07 15 G C T 49.51 3.46 19.01 23.15 96.11 22.60 87.88 -6.10 99.33 0.30 0.36 0.52 3.44 95.50 0.02 0.28 0.00 0.21 0.03 16 E C C 82.39 8.22 17.20 26.63 122.66 117.69 -86.77 152.64 90.41 9.38 0.21 68.32 21.73 0.49 0.04 0.19 0.00 8.36 0.89 17 T C C 74.32 9.47 18.79 29.23 124.64 -137.48 -111.47 142.71 56.71 43.26 0.02 56.27 0.66 0.05 0.00 0.02 0.00 42.26 0.74 18 A E E 9.34 21.32 15.76 37.07 131.25 -171.10 -131.25 147.20 2.19 97.81 0.00 2.07 0.06 0.00 0.00 0.00 0.00 97.77 0.10 19 T E E 60.21 9.15 24.98 34.58 121.11 -145.95 -113.73 131.31 0.71 99.29 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.01 20 L E E 4.76 25.58 17.34 43.54 121.32 -167.08 -114.93 131.65 1.99 98.00 0.00 1.75 0.11 0.01 0.00 0.00 0.00 98.09 0.03 21 F E E 73.00 9.79 27.11 37.47 121.27 -162.66 -113.79 133.39 7.67 92.32 0.01 6.67 0.47 0.02 0.00 0.00 0.00 92.75 0.08 22 C E E 3.12 26.07 16.82 43.57 128.04 -172.61 -127.06 142.26 11.10 88.88 0.02 9.88 0.65 0.04 0.00 0.01 0.00 89.26 0.15 23 K E E 89.65 7.59 27.49 35.99 121.58 -162.26 -116.84 132.95 5.59 94.36 0.05 5.05 0.40 0.05 0.02 0.03 0.00 93.61 0.84 24 A E E 8.35 23.96 13.58 37.26 123.84 -166.07 -113.01 141.31 28.41 71.22 0.36 26.49 1.60 0.35 0.11 0.25 0.00 69.12 2.08 25 S C C 63.76 5.59 21.91 27.64 100.77 -152.47 -83.02 -24.07 79.74 19.48 0.78 43.34 29.80 6.41 0.07 0.87 0.00 18.67 0.84 26 Q C S 111.01 4.46 20.02 25.01 123.23 10.93 -119.22 148.14 86.82 11.30 1.88 17.36 47.61 22.16 0.14 1.89 0.00 9.62 1.20 27 G C C 40.14 8.29 18.76 27.55 119.76 -49.00 102.42 163.98 91.52 6.54 1.95 35.60 31.79 24.27 0.15 2.26 0.00 4.98 0.95 28 G C C 23.03 14.09 17.65 31.48 128.42 118.86 145.57 173.11 89.26 9.12 1.61 46.17 30.04 13.13 0.13 1.96 0.00 7.27 1.31 29 N C S 79.87 10.94 21.78 32.51 102.49 -124.36 -95.77 -4.30 83.29 15.67 1.04 38.00 39.92 5.09 0.09 1.05 0.00 15.08 0.78 30 A E E 26.05 13.96 24.07 38.11 131.29 36.57 -134.73 148.52 32.10 67.37 0.53 25.79 5.01 0.88 0.06 0.48 0.00 67.16 0.61 31 M E E 4.34 26.08 19.78 46.19 128.31 -169.53 -128.00 141.02 4.87 95.10 0.02 4.36 0.36 0.03 0.00 0.01 0.00 95.05 0.18 32 T E E 19.20 16.68 27.86 44.42 128.25 -167.57 -125.54 143.79 1.22 98.78 0.00 1.08 0.04 0.00 0.00 0.00 0.00 98.85 0.02 33 W E E 8.52 24.50 22.38 46.78 122.35 -154.87 -110.37 138.64 0.82 99.18 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.23 0.01 34 Y E E 27.07 16.56 23.84 40.50 131.48 -173.45 -129.99 149.45 0.89 99.10 0.00 0.78 0.04 0.00 0.00 0.00 0.00 99.12 0.05 35 Q E E 39.23 15.03 20.76 36.02 121.81 -146.76 -111.08 134.59 4.05 95.94 0.01 3.33 0.47 0.03 0.00 0.01 0.00 96.03 0.12 36 K E E 72.08 12.89 15.91 29.30 118.82 -151.60 -101.96 131.72 30.19 69.74 0.07 27.02 2.27 0.18 0.02 0.05 0.00 69.49 0.98 37 R C C 110.39 6.89 14.50 22.83 119.83 -144.98 -97.26 145.71 90.98 8.87 0.15 86.69 3.55 0.71 0.04 0.12 0.00 7.55 1.34 38 R C T 175.60 2.61 11.27 15.82 108.82 -82.18 -59.08 131.10 99.07 0.44 0.49 0.99 5.93 92.18 0.02 0.49 0.00 0.31 0.08 39 G C T 68.88 0.30 12.86 10.62 95.98 15.49 82.63 -2.56 99.45 0.14 0.41 0.98 5.63 92.79 0.01 0.46 0.00 0.10 0.02 40 Q C S 90.36 5.54 10.00 17.62 128.74 96.51 -113.37 158.80 93.27 6.28 0.45 32.70 59.25 1.76 0.09 0.34 0.00 2.37 3.49 41 V C C 105.18 2.51 17.44 20.20 115.10 -99.31 -73.96 142.44 96.59 3.38 0.03 85.22 11.42 0.17 0.01 0.03 0.00 2.77 0.39 42 P C C 38.65 18.80 11.48 29.58 114.98 -104.98 -66.44 144.39 88.49 11.47 0.03 86.46 1.93 0.13 0.00 0.03 0.00 11.07 0.38 43 R E E 99.93 8.78 22.02 31.31 124.06 -158.95 -120.02 137.69 8.07 91.86 0.06 7.12 0.77 0.08 0.02 0.03 0.00 91.33 0.64 44 L E E 51.62 17.19 18.67 35.32 110.91 -116.89 -76.65 126.39 1.34 98.65 0.01 1.19 0.06 0.01 0.00 0.00 0.00 98.67 0.06 45 L E E 19.18 19.03 21.74 40.55 101.46 176.80 -96.23 -35.08 3.06 96.92 0.03 1.75 1.12 0.05 0.01 0.01 0.00 97.04 0.03 46 I E E 14.10 20.48 22.49 42.57 134.84 6.37 -146.80 142.07 0.91 99.08 0.01 0.70 0.08 0.01 0.01 0.00 0.00 99.18 0.02 47 Y E E 45.98 18.80 21.14 38.95 126.48 -172.21 -130.69 134.06 5.40 94.55 0.05 4.50 0.56 0.07 0.02 0.02 0.00 94.61 0.21 48 D E E 28.31 13.46 20.86 34.96 115.34 -173.13 -120.70 116.41 39.12 60.07 0.81 30.89 6.81 1.52 0.26 0.55 0.00 59.06 0.91 49 T C T 48.54 15.11 16.52 31.45 95.03 -159.07 -71.50 -17.15 71.39 10.58 18.03 18.99 17.78 36.21 4.79 11.89 0.08 8.52 1.74 50 S C T 73.39 4.10 19.09 23.62 97.71 57.22 -80.40 -20.97 74.38 2.97 22.65 14.08 18.94 42.43 6.85 14.47 0.07 1.89 1.27 51 R C T 123.11 7.22 16.55 24.48 107.98 38.62 -104.98 61.70 64.47 10.35 25.18 23.38 19.39 24.05 8.50 14.78 0.25 6.54 3.09 52 R C C 113.63 11.59 14.26 26.03 109.72 93.73 -78.40 116.22 62.02 20.87 17.11 36.32 12.40 14.29 9.27 7.86 0.18 14.58 5.10 53 A C C 54.27 11.31 14.05 25.66 106.78 -137.43 -82.20 79.01 64.53 19.69 15.77 35.78 13.05 17.26 6.65 8.71 0.19 13.68 4.69 54 S C T 78.23 3.99 16.96 22.00 112.47 52.81 -92.56 122.47 75.01 13.62 11.37 23.48 17.75 35.60 3.72 6.78 0.09 9.92 2.66 55 G C T 43.44 6.35 17.91 24.94 104.91 13.56 89.42 -0.81 86.49 9.17 4.34 29.84 25.48 32.35 0.76 3.43 0.01 6.48 1.64 56 V C C 29.47 20.94 11.06 30.76 116.39 118.88 -93.44 130.53 90.81 8.78 0.40 68.74 21.53 0.93 0.16 0.26 0.00 5.21 3.17 57 P C C 50.78 9.52 16.29 27.13 113.94 -111.82 -66.50 152.65 90.90 5.03 4.08 80.06 5.15 5.30 0.69 3.77 0.00 3.80 1.23 58 D C T 119.54 2.43 17.97 21.28 93.46 -109.97 -64.63 -22.45 80.39 3.23 16.38 8.86 19.80 51.40 1.11 15.80 0.01 2.28 0.74 59 R C T 102.35 10.75 17.66 28.64 94.95 62.41 -85.32 -8.47 73.45 9.30 17.25 9.04 17.88 46.93 1.03 16.08 0.02 8.16 0.85 60 F E E 18.59 23.40 13.25 35.98 114.83 75.87 -102.29 118.20 21.43 71.02 7.54 15.45 4.94 3.20 1.34 5.10 0.01 68.74 1.22 61 V E E 69.12 8.56 23.22 32.54 130.15 154.48 -127.44 144.96 7.59 92.17 0.23 6.50 0.98 0.21 0.12 0.10 0.00 91.34 0.75 62 G E E 20.24 19.00 15.65 33.30 139.74 167.84 -154.00 170.06 8.45 91.44 0.10 7.23 0.90 0.19 0.03 0.05 0.00 91.24 0.36 63 S E E 63.66 5.19 21.88 28.69 136.09 -167.65 -146.70 155.92 19.13 80.75 0.12 16.45 2.07 0.35 0.03 0.08 0.00 80.55 0.48 64 G E E 29.99 11.56 15.44 27.62 139.87 135.44 113.28 163.55 38.80 60.99 0.21 28.98 8.96 1.45 0.03 0.22 0.00 59.16 1.20 65 S C C 77.95 3.07 20.63 24.19 118.01 -110.74 -122.55 124.71 62.07 37.23 0.70 40.18 18.35 5.13 0.12 0.73 0.00 32.17 3.30 66 G C S 34.83 9.24 18.82 28.46 109.85 -42.57 64.06 -129.92 97.77 1.39 0.84 3.02 55.63 39.32 0.03 0.83 0.00 0.99 0.18 67 T C S 56.36 13.94 16.48 30.48 97.80 -6.07 -99.04 -1.28 97.74 1.59 0.68 2.80 56.31 38.84 0.03 0.63 0.00 1.25 0.15 68 D E E 59.01 9.20 22.21 32.48 118.98 86.71 -105.01 129.28 34.67 65.09 0.24 24.98 9.20 1.43 0.03 0.28 0.00 62.46 1.61 69 F E E 7.42 24.47 16.44 41.37 128.60 -175.23 -126.07 142.62 10.46 89.53 0.00 9.94 0.31 0.01 0.00 0.00 0.00 89.51 0.23 70 F E E 51.69 10.81 27.20 39.03 121.81 -160.74 -118.35 131.43 1.50 98.49 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.58 0.02 71 L E E 2.53 26.31 19.43 46.70 120.24 -164.06 -113.00 128.64 0.14 99.86 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 72 T E E 35.32 10.51 27.26 38.73 119.46 -164.83 -115.37 127.67 0.09 99.91 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 73 I E E 6.49 24.25 16.52 41.48 118.04 -168.05 -115.20 125.40 2.09 97.91 0.00 2.13 0.02 0.00 0.00 0.00 0.00 97.65 0.19 74 N C S 69.49 7.12 23.14 30.50 125.58 -169.53 -111.51 151.87 83.29 16.57 0.14 35.64 41.00 4.60 0.01 0.16 0.00 18.32 0.27 75 K C S 127.72 3.73 23.59 27.46 95.05 9.28 57.78 54.85 97.03 2.92 0.05 9.83 81.64 5.39 0.00 0.06 0.00 2.94 0.14 76 L C C 15.48 24.21 10.32 34.07 114.42 -153.74 -76.45 135.30 96.62 3.36 0.02 95.36 1.67 0.03 0.00 0.01 0.00 2.10 0.83 77 D C C 65.96 4.31 24.47 28.36 132.40 -170.24 -127.79 162.42 99.21 0.76 0.03 99.14 0.31 0.01 0.01 0.00 0.00 0.16 0.37 78 R H G 119.58 13.03 15.25 28.20 91.15 -101.23 -59.57 -30.96 4.44 0.04 95.52 0.35 0.35 3.00 0.94 95.33 0.00 0.03 0.00 79 E H G 125.25 3.79 21.47 25.94 90.40 62.76 -71.61 -17.52 3.48 0.05 96.47 0.20 0.26 2.48 0.78 96.24 0.00 0.05 0.00 80 D H G 17.90 19.51 16.76 36.53 95.48 58.89 -92.09 -0.96 4.10 0.09 95.81 0.67 0.48 2.00 0.90 95.87 0.00 0.09 0.00 81 F C C 32.69 19.54 20.01 39.38 119.13 101.43 -90.89 137.85 72.32 24.14 3.55 66.64 5.21 0.97 1.43 1.99 0.00 21.58 2.17 82 A E E 11.27 19.25 23.67 42.04 134.37 153.19 -133.23 159.86 17.92 80.09 1.99 15.26 2.38 0.92 1.34 0.81 0.00 77.07 2.21 83 V E E 26.88 17.37 25.59 42.50 120.33 -126.33 -109.53 132.16 7.91 90.83 1.26 6.72 0.79 0.37 0.76 0.40 0.00 90.55 0.42 84 Y E E 10.25 23.90 21.96 45.49 124.30 -167.65 -116.33 137.06 6.23 92.31 1.45 5.09 0.72 0.39 0.85 0.44 0.00 92.24 0.28 85 Y E E 34.15 16.82 26.05 42.47 126.15 -166.91 -120.55 140.72 10.21 87.89 1.90 8.52 1.04 0.54 1.19 0.58 0.00 87.68 0.44 86 C E E 7.70 22.76 19.86 42.47 119.69 -154.88 -108.42 132.39 25.78 70.42 3.81 21.16 3.01 1.44 2.22 1.25 0.00 70.05 0.86 87 Q E E 56.59 12.55 22.06 34.57 121.78 -172.26 -116.49 138.86 41.14 51.92 6.94 28.63 9.39 4.20 4.01 2.74 0.04 49.53 1.47 88 Q C C 74.08 12.12 18.12 30.23 109.31 -137.44 -91.77 93.62 55.32 31.73 12.95 36.84 12.00 6.88 7.61 5.10 0.06 29.70 1.81 89 F C C 88.80 10.55 15.81 26.84 112.59 57.47 -100.45 124.34 61.60 14.81 23.59 34.36 13.99 14.07 11.89 11.26 0.12 12.54 1.77 90 E C C 109.69 6.99 16.54 24.30 110.12 -58.17 -90.57 117.01 62.22 13.58 24.19 34.50 13.45 14.92 11.61 12.16 0.10 11.58 1.67 91 F C C 97.12 10.60 16.24 27.15 113.41 -116.45 -101.05 120.24 53.03 25.54 21.43 30.85 11.10 12.22 10.42 10.61 0.19 21.79 2.83 92 F C C 74.24 13.88 15.83 29.68 114.40 -164.25 -104.23 121.48 53.35 33.69 12.96 30.64 11.37 12.40 7.50 5.49 0.32 27.54 4.73 93 G C C 23.79 12.16 18.47 30.76 124.89 -154.59 91.85 169.58 69.29 27.16 3.55 38.57 18.41 13.57 1.26 2.06 0.02 23.94 2.16 94 L C C 86.10 10.24 20.76 30.74 111.47 -82.42 -88.98 124.31 72.03 25.55 2.42 47.61 16.16 8.20 0.76 1.57 0.01 23.75 1.94 95 G C C 15.73 17.94 16.77 33.59 126.61 -142.54 -111.50 172.03 69.45 29.65 0.89 49.76 14.05 4.79 0.18 0.72 0.00 29.46 1.04 96 S E E 26.02 15.49 20.05 35.50 128.43 -116.12 -121.44 147.99 36.92 62.40 0.68 31.36 4.34 1.01 0.25 0.41 0.00 61.41 1.23 97 E E E 90.14 11.04 22.44 33.44 123.24 -137.73 -111.50 135.79 15.08 84.34 0.58 12.98 1.90 0.50 0.26 0.26 0.00 83.22 0.88 98 L E E 16.36 22.14 15.25 37.18 122.58 -163.75 -115.60 134.62 12.83 86.51 0.66 11.38 1.05 0.40 0.30 0.26 0.00 86.10 0.51 99 E E E 95.29 6.02 23.72 30.16 118.05 -152.50 -104.87 128.93 12.24 87.09 0.67 10.89 0.88 0.39 0.34 0.25 0.00 86.49 0.76 100 V E E 21.47 21.40 11.49 32.24 117.35 -157.63 -104.64 127.55 26.60 72.72 0.68 25.71 0.56 0.30 0.41 0.20 0.00 71.40 1.41 101 H C C 110.37 5.37 20.45 26.45 118.78 -164.06 -107.85 129.74 97.44 2.53 0.03 97.55 0.08 0.03 0.01 0.00 0.00 2.30 0.04