# 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 R C C 145.54 4.32 14.18 20.29 119.81 -166.70 -108.60 136.17 99.15 0.84 0.01 99.25 0.08 0.02 0.00 0.00 0.00 0.63 0.02 1 M C C 115.06 5.37 11.50 18.69 116.74 -141.50 -96.82 130.35 58.78 40.79 0.43 57.31 0.85 0.61 0.20 0.19 0.00 36.22 4.63 2 I C C 72.52 10.15 9.23 20.44 116.41 -153.00 -100.16 127.89 54.49 44.70 0.81 47.07 4.92 1.25 0.36 0.52 0.00 41.34 4.54 3 T C C 93.90 3.95 13.98 19.36 106.76 -168.40 -96.43 13.97 66.52 32.77 0.71 49.92 13.52 2.18 0.16 0.55 0.00 32.52 1.16 4 K C C 125.30 4.63 14.82 20.80 120.08 46.25 -104.66 136.70 69.39 29.68 0.93 44.62 22.22 2.36 0.19 0.70 0.00 28.91 1.00 5 H C C 87.59 12.50 13.05 25.74 117.29 -126.81 -85.21 139.63 68.62 30.41 0.97 62.56 3.62 0.96 0.23 0.62 0.00 30.97 1.04 6 T E E 54.21 9.44 17.32 27.86 126.73 -168.55 -125.57 143.74 45.00 53.61 1.39 37.23 6.27 1.73 0.50 0.97 0.00 50.30 2.99 7 F E E 70.91 13.79 14.60 28.90 117.03 -138.09 -99.30 129.28 35.20 63.66 1.14 29.15 4.61 1.29 0.58 0.73 0.00 57.88 5.75 8 V C C 69.40 8.66 15.76 25.55 122.16 -173.10 -117.88 133.40 55.73 43.37 0.90 43.22 10.58 2.14 0.33 0.70 0.00 39.36 3.67 9 G C C 30.29 7.02 13.94 22.23 131.57 67.03 121.42 -173.82 82.95 15.14 1.91 44.70 32.60 6.48 0.43 1.57 0.00 11.79 2.43 10 E C T 158.52 1.28 14.52 15.80 108.56 -48.11 -66.40 129.77 92.89 3.85 3.26 4.46 14.18 74.13 0.36 3.03 0.00 2.92 0.91 11 G C T 58.73 1.88 14.59 16.68 97.87 15.29 81.50 -0.15 94.75 3.04 2.21 7.63 13.51 73.34 0.22 2.16 0.00 2.70 0.44 12 F C C 68.24 14.48 7.74 21.61 117.15 122.88 -90.06 137.22 79.02 19.36 1.62 65.07 10.18 2.96 0.46 1.32 0.00 15.31 4.69 13 T C C 82.89 3.53 15.17 19.99 124.32 -168.51 -119.06 144.31 72.34 26.55 1.12 59.53 8.84 2.73 0.39 0.85 0.00 22.13 5.53 14 R C C 140.36 7.93 10.95 20.21 115.84 -142.33 -102.20 128.44 70.83 28.20 0.96 47.27 22.20 2.18 0.42 0.68 0.00 20.06 7.18 15 R C C 146.14 3.35 12.48 17.53 120.77 -159.48 -109.57 138.88 87.80 11.59 0.62 58.21 28.86 1.25 0.29 0.32 0.00 9.23 1.85 16 P C C 97.61 3.82 11.94 17.35 113.38 -102.48 -66.57 144.72 93.40 4.06 2.55 82.91 8.17 2.50 1.21 1.20 0.00 3.15 0.87 17 V C C 79.35 9.11 8.73 18.80 113.60 -113.45 -79.96 139.88 76.49 5.99 17.52 62.50 7.22 6.70 5.04 12.69 0.00 4.35 1.50 18 K C C 144.26 2.69 12.51 16.44 111.84 -138.36 -92.56 127.76 60.71 14.05 25.25 35.83 15.53 10.64 8.75 15.90 0.06 10.84 2.47 19 M C C 102.08 7.91 10.42 19.51 113.62 -151.65 -95.53 125.01 47.13 22.92 29.95 31.15 10.25 7.48 12.47 16.84 0.07 19.10 2.63 20 E C C 108.26 6.56 12.69 20.63 116.43 -166.25 -100.59 133.41 47.28 28.93 23.78 35.04 8.23 4.41 13.86 9.49 0.03 26.85 2.08 21 R C E 138.81 6.02 13.87 21.36 115.71 -133.64 -94.73 129.31 40.25 37.45 22.30 28.90 7.06 4.70 14.19 7.95 0.05 34.89 2.27 22 I E E 78.15 10.50 13.54 24.65 112.57 -151.18 -96.04 124.07 40.51 42.73 16.77 28.27 7.70 4.96 11.68 5.83 0.06 38.23 3.27 23 I C C 69.91 11.57 12.93 25.14 115.81 -159.57 -104.53 124.92 49.13 41.19 9.68 34.77 10.88 3.95 7.83 3.00 0.09 34.14 5.34 24 R C C 124.68 6.66 15.01 22.98 118.95 -160.97 -103.31 137.09 74.96 18.72 6.31 54.29 16.42 3.92 4.43 2.22 0.02 16.55 2.14 25 P C C 74.43 7.82 14.37 23.20 108.68 -98.01 -68.88 139.75 67.02 8.31 24.67 32.23 12.26 23.07 9.51 14.64 0.05 6.80 1.45 26 S C C 59.91 8.69 14.14 23.59 101.30 -131.93 -75.36 -10.53 63.98 5.70 30.32 27.29 12.33 25.58 9.70 19.59 0.08 3.81 1.63 27 A C C 51.64 9.77 14.97 25.44 101.13 77.60 -76.94 -15.03 57.48 7.83 34.69 27.43 13.83 17.92 8.79 24.66 0.09 5.21 2.07 28 L C C 65.87 13.15 14.16 27.33 107.97 78.76 -86.96 105.40 58.20 14.21 27.60 30.47 13.91 16.02 7.62 18.73 0.13 10.29 2.84 29 R C C 126.88 7.78 17.41 25.92 108.56 115.93 -94.97 73.80 60.15 19.89 19.96 36.61 12.23 12.56 6.49 13.14 0.10 14.54 4.32 30 Q C C 60.84 14.70 13.47 28.12 120.05 123.01 -102.66 137.73 75.64 21.30 3.06 62.52 9.40 3.03 1.12 1.84 0.00 19.49 2.59 31 K C C 119.79 6.78 18.82 26.45 99.87 -162.70 -88.46 -20.50 73.94 25.34 0.72 35.74 34.71 3.00 0.15 0.55 0.00 25.05 0.80 32 K E E 98.38 8.39 19.79 29.03 135.25 8.79 -140.33 148.56 19.68 79.84 0.47 16.13 3.29 0.73 0.12 0.31 0.00 78.63 0.80 33 A E E 13.43 19.49 15.28 34.83 133.63 -174.29 -139.05 151.88 7.20 92.69 0.10 6.44 0.50 0.09 0.03 0.05 0.00 92.64 0.24 34 N E E 72.75 7.97 23.06 31.44 117.02 -128.72 -100.60 133.08 3.12 96.86 0.02 2.73 0.16 0.02 0.00 0.01 0.00 97.01 0.06 35 V E E 14.74 20.94 15.25 36.23 128.26 -171.94 -127.86 141.66 1.88 98.11 0.01 1.63 0.12 0.01 0.00 0.00 0.00 98.19 0.04 36 T E E 60.75 6.96 20.80 28.76 117.99 -143.46 -107.50 128.71 2.76 97.23 0.01 2.51 0.17 0.02 0.00 0.01 0.00 96.96 0.33 37 H E E 30.02 15.20 11.23 27.67 109.27 -148.50 -99.49 111.71 38.84 61.08 0.08 37.02 0.93 0.13 0.02 0.05 0.00 61.06 0.78 38 P C T 94.97 3.12 14.20 18.94 92.74 -157.74 -63.79 -30.47 91.51 0.17 8.32 0.42 2.37 87.27 0.10 9.70 0.00 0.10 0.04 39 E C T 146.84 1.43 13.92 15.43 94.09 52.04 -69.74 -37.26 92.62 0.10 7.28 0.23 1.82 90.25 0.10 7.51 0.00 0.05 0.03 40 L C T 81.18 6.22 11.70 19.57 97.89 28.37 -99.96 -12.58 94.38 0.11 5.51 0.46 2.52 90.70 0.09 6.13 0.00 0.06 0.03 41 G C T 52.85 2.69 14.61 18.50 94.84 -124.68 67.98 21.52 98.69 0.92 0.39 24.64 5.19 68.85 0.07 0.27 0.00 0.89 0.09 42 V E E 49.88 9.29 13.94 25.09 129.46 123.25 -121.57 152.02 37.11 62.86 0.03 32.89 2.62 0.19 0.00 0.02 0.00 63.82 0.46 43 T E E 63.17 10.83 16.80 28.44 123.26 -144.41 -116.12 136.04 2.07 97.93 0.00 1.93 0.06 0.00 0.00 0.00 0.00 97.95 0.06 44 V E E 23.79 16.91 17.44 34.84 126.31 -170.58 -124.29 139.57 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.62 0.02 45 F E E 93.16 10.66 22.76 33.48 117.21 -142.68 -102.37 128.19 2.37 97.63 0.00 2.19 0.09 0.00 0.00 0.00 0.00 97.53 0.18 46 L E E 8.55 23.08 17.04 40.28 122.63 -170.69 -117.89 136.28 33.91 66.09 0.01 31.67 0.98 0.02 0.00 0.00 0.00 67.11 0.21 47 P E E 50.38 7.77 26.04 34.81 113.87 -113.99 -71.11 141.04 34.42 65.57 0.01 31.92 1.21 0.05 0.00 0.01 0.00 66.53 0.29 48 I E E 11.08 24.27 14.81 39.68 109.82 -121.14 -79.30 123.40 9.42 90.55 0.02 9.73 0.21 0.02 0.01 0.01 0.00 88.96 1.06 49 L E E 70.15 7.82 23.21 31.77 100.96 176.36 -96.75 -31.38 10.74 89.20 0.06 7.04 3.53 0.32 0.00 0.05 0.00 88.89 0.17 50 A E E 33.36 7.91 25.10 34.04 143.17 -7.63 -161.54 157.32 4.82 95.13 0.04 3.27 1.01 0.18 0.00 0.03 0.00 95.42 0.08 51 V E E 23.87 23.14 14.20 36.76 125.09 -153.40 -128.66 133.48 3.02 96.97 0.01 2.60 0.23 0.02 0.00 0.01 0.00 97.04 0.10 52 K E E 83.71 8.05 23.34 31.65 124.32 -169.18 -121.39 139.98 6.37 93.61 0.01 5.26 0.88 0.07 0.00 0.01 0.00 93.37 0.41 53 K E E 104.63 10.80 16.73 28.01 118.40 -129.74 -90.36 138.33 25.03 74.93 0.04 21.29 3.21 0.18 0.01 0.04 0.00 74.02 1.27 54 N C C 33.64 14.11 10.64 25.59 110.12 -119.50 -82.53 124.00 90.70 9.24 0.06 88.10 2.44 0.30 0.01 0.05 0.00 8.21 0.89 55 P C T 107.29 2.41 13.99 17.62 93.02 -144.57 -65.40 -21.06 99.33 0.37 0.31 2.15 23.03 74.13 0.01 0.33 0.00 0.29 0.06 56 Q C T 141.89 1.18 13.74 14.50 98.38 45.64 -87.82 -17.55 99.13 0.54 0.33 1.64 25.18 72.38 0.02 0.33 0.00 0.35 0.09 57 S C C 38.61 9.59 9.78 20.84 115.29 37.54 -128.42 102.84 90.96 8.70 0.34 49.61 40.58 1.67 0.10 0.27 0.00 5.05 2.73 58 P C S 90.83 5.17 14.06 21.05 94.28 -167.90 -67.71 -17.93 88.15 5.26 6.60 23.22 37.23 27.81 2.93 3.55 0.01 4.39 0.86 59 M C S 97.29 7.39 16.69 24.91 95.31 69.69 -79.55 -12.24 72.32 18.27 9.41 18.52 31.47 23.51 4.50 4.43 0.16 14.56 2.85 60 Y C C 53.88 16.71 13.44 29.80 109.43 85.82 -86.51 104.94 52.71 37.58 9.71 34.93 8.68 8.48 5.41 4.93 0.06 28.88 8.64 61 T E E 50.72 12.35 16.99 29.59 115.23 100.24 -105.47 130.93 43.89 47.03 9.08 32.52 7.31 4.49 5.93 3.90 0.03 39.43 6.40 62 Q E E 92.89 8.33 18.50 27.34 115.58 -8.13 -104.58 122.52 40.86 49.26 9.89 25.52 10.37 8.83 5.46 4.83 0.13 38.38 6.48 63 L C T 82.41 11.47 17.42 28.65 102.27 -109.62 -76.53 37.85 67.61 23.17 9.22 19.44 15.92 34.28 4.42 4.48 0.10 18.07 3.29 64 G C T 33.93 10.33 19.45 29.81 98.95 -19.77 83.96 -0.71 86.23 8.62 5.15 15.52 27.76 43.46 2.32 2.64 0.01 7.16 1.12 65 V C C 50.49 12.47 21.38 34.04 114.87 95.73 -100.54 118.08 67.69 27.63 4.69 28.68 24.90 16.53 2.47 2.35 0.07 19.92 5.08 66 L C C 22.90 22.46 16.78 38.74 115.15 -140.29 -91.20 127.64 58.67 39.21 2.12 48.03 8.52 1.71 1.64 0.76 0.02 24.47 14.85 67 T C C 45.04 10.91 24.05 34.86 133.14 174.20 -125.39 161.33 80.23 17.97 1.80 72.05 6.41 1.54 1.17 0.74 0.00 13.22 4.88 68 K C T 106.54 10.72 21.47 32.07 110.00 -73.63 -62.90 134.13 93.08 5.61 1.31 1.34 6.37 86.91 0.28 0.84 0.00 3.52 0.76 69 G C T 20.42 12.34 22.62 35.31 97.76 23.21 87.24 -5.53 96.72 2.75 0.53 2.25 8.11 86.30 0.05 0.45 0.00 2.70 0.13 70 T C C 10.99 19.32 21.00 40.65 118.68 135.57 -81.64 143.75 71.63 28.31 0.06 68.75 1.84 0.13 0.01 0.04 0.00 28.85 0.38 71 I E E 14.42 20.52 25.37 45.15 119.75 -149.07 -112.23 129.18 0.64 99.36 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.26 0.08 72 I E E 6.42 23.76 23.26 46.71 122.34 -167.27 -116.23 131.18 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 73 E E E 55.36 12.81 26.04 38.95 117.02 -150.08 -103.23 126.05 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 74 V E E 8.91 22.77 16.63 39.54 125.56 -172.47 -121.18 140.86 3.92 96.06 0.02 3.56 0.17 0.01 0.01 0.01 0.00 96.18 0.07 75 N E E 60.96 6.89 22.94 30.49 109.20 -128.38 -85.14 119.18 35.53 64.05 0.42 32.61 1.69 0.27 0.13 0.20 0.00 64.64 0.45 76 V H G 37.04 17.92 13.45 31.24 94.71 -151.63 -66.64 -26.05 39.24 4.01 56.75 11.93 6.59 20.56 25.67 31.31 0.13 3.01 0.77 77 S H G 73.70 3.25 17.78 21.75 92.24 65.63 -67.21 -26.36 38.81 2.00 59.18 8.25 5.84 22.78 29.03 31.97 0.19 1.24 0.70 78 E H G 99.87 6.54 15.96 23.52 95.85 53.04 -80.99 -17.84 38.17 1.91 59.92 10.33 6.95 19.82 28.66 32.29 0.11 1.12 0.71 79 L C C 46.57 17.61 11.79 28.09 100.96 63.72 -77.07 -9.78 60.18 3.11 36.71 33.25 10.51 17.01 26.07 10.05 0.06 1.81 1.23 80 V C C 83.91 6.94 17.49 25.11 100.36 75.66 -77.89 -23.26 75.28 7.26 17.46 37.55 14.84 23.04 11.69 5.88 0.05 4.85 2.10 81 W C T 137.89 7.09 17.40 25.06 107.36 30.66 -92.54 18.40 74.85 12.23 12.91 28.27 19.23 28.61 5.72 6.50 0.07 9.32 2.27 82 G C C 24.19 11.74 17.35 29.57 110.82 -91.93 92.04 68.22 73.33 20.59 6.07 38.92 14.99 19.75 1.39 4.26 0.01 19.39 1.29 83 K C E 65.99 14.79 19.76 34.04 114.08 -117.90 -99.73 129.26 52.89 43.67 3.45 39.11 8.86 4.39 0.95 2.26 0.01 43.15 1.27 84 Y E E 57.73 16.09 22.67 38.20 128.12 -152.37 -121.61 146.18 18.99 80.53 0.48 14.85 3.10 0.82 0.14 0.24 0.00 80.33 0.51 85 A E E 4.96 23.58 20.00 43.54 132.25 -169.05 -132.60 149.07 3.52 96.44 0.04 3.06 0.31 0.04 0.01 0.01 0.00 96.49 0.08 86 Q E E 52.16 13.29 27.08 40.55 122.29 -144.84 -115.05 134.56 0.66 99.33 0.01 0.63 0.02 0.00 0.00 0.00 0.00 99.31 0.03 87 V E E 7.32 24.48 18.57 43.34 118.45 -153.47 -108.97 127.53 1.99 97.97 0.03 1.87 0.08 0.01 0.01 0.00 0.00 97.91 0.12 88 T E E 42.25 10.99 24.46 35.76 122.46 -174.04 -115.88 144.94 17.76 82.11 0.12 15.24 1.77 0.20 0.03 0.07 0.00 82.25 0.45 89 N E E 55.22 15.42 17.26 32.18 116.71 -145.99 -101.35 128.14 48.38 51.35 0.27 34.12 13.89 1.22 0.05 0.25 0.00 49.17 1.30 90 E C C 68.94 8.94 17.13 27.38 109.67 -157.43 -108.04 105.37 82.94 16.71 0.35 71.27 10.27 1.01 0.11 0.30 0.00 14.62 2.42 91 P C T 76.86 9.19 12.94 23.62 93.14 -160.57 -63.09 -25.05 74.65 1.08 24.27 6.46 9.32 56.37 1.87 24.86 0.00 0.68 0.44 92 D C T 117.17 1.85 16.20 17.36 93.83 56.84 -79.95 -12.75 73.94 0.88 25.19 3.95 9.94 58.04 2.21 24.86 0.01 0.53 0.45 93 R C T 114.55 7.32 13.86 22.32 108.28 40.64 -115.63 66.25 66.49 8.47 25.04 14.97 20.79 32.39 2.52 21.77 0.05 4.95 2.55 94 D C T 77.37 9.11 17.54 27.18 102.23 -156.58 -74.81 37.72 87.85 8.53 3.62 31.83 14.80 41.83 0.84 2.60 0.00 6.42 1.67 95 G C T 19.11 15.24 18.26 33.12 97.52 -36.20 83.56 2.17 82.23 15.83 1.94 20.90 26.16 35.47 0.22 1.78 0.00 14.25 1.22 96 C E E 29.40 13.50 21.88 36.15 122.81 114.57 -107.91 143.54 47.06 52.15 0.79 31.54 13.09 3.80 0.15 0.70 0.00 49.00 1.72 97 V E E 8.57 23.80 18.59 42.43 124.34 -157.31 -118.05 135.57 17.60 82.27 0.12 15.38 1.78 0.26 0.04 0.08 0.00 81.61 0.87 98 N E E 46.24 11.78 27.10 39.32 120.59 -155.87 -108.01 134.43 8.52 91.42 0.05 7.23 0.80 0.12 0.01 0.03 0.00 91.69 0.12 99 A E E 4.93 25.15 17.59 42.95 131.44 -171.89 -129.59 147.53 2.29 97.70 0.01 2.00 0.13 0.01 0.00 0.00 0.00 97.82 0.02 100 V E E 42.00 11.12 25.86 37.60 124.90 -163.98 -124.34 135.53 0.40 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.01 101 L E E 38.97 17.82 17.50 35.23 113.03 -124.11 -80.53 129.51 1.33 98.67 0.01 1.23 0.05 0.00 0.00 0.00 0.00 98.63 0.08 102 L E E 45.83 13.67 14.72 29.13 116.39 -151.45 -93.74 142.82 39.79 60.10 0.11 38.58 0.66 0.15 0.02 0.06 0.00 59.92 0.60 103 D C C 109.09 3.16 18.66 22.48 107.33 -100.64 -74.35 117.05 99.16 0.84 0.01 99.01 0.20 0.04 0.00 0.00 0.00 0.73 0.02