# 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 95.42 5.06 15.71 21.86 110.61 -151.75 -90.59 115.35 99.44 0.48 0.08 99.33 0.17 0.11 0.04 0.01 0.00 0.30 0.06 1 V C C 75.00 9.50 11.27 21.70 112.39 -160.75 -95.07 119.32 64.14 17.08 18.78 55.64 2.80 5.00 14.52 4.23 0.01 13.20 4.59 2 V C C 73.69 8.45 11.28 21.05 113.99 -161.00 -96.65 126.70 58.41 20.48 21.12 41.21 9.04 7.71 15.14 6.50 0.10 16.16 4.13 3 N C C 93.68 6.49 12.61 20.39 110.33 -150.67 -90.48 109.03 63.69 13.47 22.84 47.20 8.24 8.20 13.23 9.51 0.02 10.83 2.77 4 A C T 69.08 6.05 12.87 20.16 104.45 -151.57 -78.91 5.79 64.14 7.75 28.11 20.80 13.42 31.22 14.20 12.62 0.17 5.44 2.13 5 A C T 67.14 6.13 14.64 21.75 103.35 70.50 -86.61 15.99 68.38 7.13 24.50 19.43 16.67 33.52 11.25 11.88 0.22 4.82 2.23 6 Y C S 84.37 13.19 11.38 24.81 117.40 98.14 -95.77 131.26 92.72 4.42 2.85 36.71 54.30 2.31 1.45 1.11 0.00 2.23 1.89 7 P C C 59.22 9.42 13.56 24.22 112.39 -110.53 -68.45 146.02 90.29 3.76 5.95 78.75 5.47 6.40 2.58 2.96 0.00 2.57 1.27 8 K C C 138.22 4.62 14.68 20.83 103.65 -140.44 -84.70 4.71 79.36 8.88 11.76 33.96 27.48 19.27 4.63 6.43 0.07 5.28 2.87 9 N C C 96.46 5.86 14.59 21.62 110.02 51.44 -97.31 93.61 71.04 15.81 13.15 34.54 21.84 16.32 5.39 7.22 0.13 10.87 3.70 10 I C C 73.18 11.74 12.70 25.02 114.69 128.70 -98.29 125.01 69.13 16.90 13.97 48.22 12.20 8.82 6.40 7.50 0.03 13.58 3.27 11 K C C 111.87 7.53 16.73 25.16 110.89 -156.51 -94.59 118.45 68.71 19.03 12.26 41.39 13.58 14.45 5.03 7.05 0.04 15.04 3.40 12 N C C 66.55 12.62 16.25 28.89 112.81 -3.43 -99.66 113.41 71.60 20.30 8.10 38.67 19.00 15.40 2.62 5.20 0.04 16.32 2.76 13 K C C 93.24 11.15 20.43 31.39 117.72 96.55 -104.14 135.95 67.92 27.95 4.12 44.06 17.48 6.94 1.55 2.80 0.04 20.92 6.22 14 A C C 20.50 18.78 18.35 36.62 119.74 -141.28 -97.77 138.06 78.47 21.22 0.31 57.83 19.63 0.99 0.07 0.27 0.00 19.96 1.26 15 P C C 27.06 16.70 21.63 38.04 114.02 -115.62 -70.91 146.48 71.01 28.82 0.17 59.10 9.21 0.72 0.02 0.16 0.00 30.21 0.58 16 V E E 27.70 18.31 21.64 39.36 125.09 -154.84 -118.61 137.21 12.20 87.69 0.11 10.55 1.33 0.22 0.02 0.08 0.00 87.07 0.72 17 I E E 24.03 19.40 21.31 40.19 121.81 -161.80 -116.09 132.43 3.12 96.83 0.05 2.85 0.17 0.03 0.01 0.02 0.00 96.75 0.16 18 S E E 28.25 14.21 22.05 36.30 127.22 -170.85 -122.57 143.65 3.21 96.70 0.09 2.77 0.22 0.06 0.03 0.04 0.00 96.76 0.10 19 F E E 46.06 16.45 16.58 33.05 121.80 -159.04 -118.23 133.51 11.03 88.74 0.22 9.05 1.53 0.36 0.06 0.14 0.00 88.48 0.39 20 D E E 74.93 6.72 18.58 26.12 107.03 -164.14 -101.74 84.99 47.69 51.37 0.93 35.37 8.95 3.25 0.14 0.81 0.00 50.65 0.82 21 G C T 38.81 9.54 13.80 23.82 102.21 -118.05 68.23 -26.31 91.02 5.82 3.16 8.50 28.76 53.80 0.24 3.02 0.00 5.03 0.65 22 K C T 151.66 2.09 15.97 18.23 99.51 44.25 -84.04 -28.58 96.07 0.88 3.04 5.05 29.07 62.03 0.25 2.75 0.00 0.57 0.28 23 K C T 126.38 4.50 16.49 21.64 104.25 21.45 -104.96 0.14 91.95 4.61 3.44 8.53 32.03 51.63 0.41 2.86 0.00 3.84 0.70 24 G E E 16.21 11.00 17.12 29.17 127.98 -68.65 115.77 -174.53 44.17 54.60 1.23 27.55 10.85 6.56 0.38 0.88 0.00 52.76 1.02 25 V E E 29.30 17.89 16.51 34.28 122.40 -54.41 -112.72 135.99 13.44 86.19 0.37 12.03 0.98 0.25 0.19 0.16 0.00 85.85 0.55 26 K E E 70.77 11.85 22.71 34.60 122.65 -163.66 -114.82 135.09 3.97 95.63 0.40 3.33 0.32 0.12 0.25 0.10 0.00 95.74 0.15 27 L E E 22.48 21.38 18.10 39.03 122.22 -159.90 -112.08 132.41 3.43 96.17 0.40 2.93 0.21 0.08 0.25 0.08 0.00 96.35 0.09 28 E E E 56.37 11.76 24.26 36.18 126.55 -168.70 -121.39 140.01 7.70 91.67 0.63 6.11 0.77 0.23 0.35 0.15 0.00 92.23 0.15 29 M E E 39.59 19.49 18.39 37.13 120.33 -140.92 -104.18 133.45 17.64 80.66 1.69 13.71 2.60 0.66 1.07 0.46 0.00 81.12 0.37 30 V E E 33.35 13.47 20.95 35.10 126.39 -172.53 -121.30 142.29 26.02 70.74 3.24 21.48 3.18 0.88 2.45 0.89 0.00 70.29 0.83 31 T E E 51.31 10.65 21.93 32.90 113.07 -110.47 -73.02 140.11 31.04 64.58 4.38 27.16 2.56 0.94 3.55 1.27 0.00 62.43 2.08 32 L H H 35.40 19.69 15.24 34.01 102.83 -137.25 -75.94 -21.66 35.30 15.05 49.65 24.15 5.80 5.82 33.43 15.49 0.07 13.70 1.54 33 Q H H 96.63 7.66 19.80 27.79 100.59 85.59 -77.28 -23.78 31.00 14.55 54.44 18.06 5.89 7.93 34.82 18.76 0.18 12.67 1.69 34 T H H 63.17 8.81 18.78 27.95 101.18 56.50 -83.43 -7.96 31.03 13.25 55.73 17.46 5.99 8.47 34.66 20.36 0.20 11.00 1.86 35 F H H 47.61 17.76 13.80 30.72 104.60 69.41 -88.71 23.92 41.15 12.70 46.16 22.60 8.15 11.54 32.01 13.23 0.36 8.88 3.23 36 A C C 52.27 10.36 15.92 26.65 104.60 69.88 -83.76 51.75 67.10 7.72 25.19 27.60 12.66 27.02 20.03 5.34 0.14 4.96 2.25 37 G C T 46.14 5.68 15.44 22.21 110.05 -49.84 86.96 -12.46 86.86 4.40 8.74 30.94 23.36 33.49 5.16 3.02 0.02 2.61 1.40 38 D C C 88.89 6.23 13.47 20.97 111.09 73.18 -91.27 119.89 91.38 3.71 4.91 54.09 24.04 13.51 2.11 2.60 0.00 2.02 1.63 39 D C C 93.88 6.38 13.12 20.82 103.30 -149.68 -86.50 25.95 90.22 3.42 6.36 59.54 15.90 14.74 1.70 4.71 0.00 1.99 1.43 40 S C C 62.88 7.59 13.01 21.75 107.09 106.19 -90.54 54.03 85.83 4.66 9.51 42.56 20.16 23.56 1.99 7.39 0.00 2.75 1.58 41 E C C 121.68 5.59 15.16 21.78 103.94 110.92 -88.98 11.12 79.63 8.85 11.52 33.99 23.72 23.01 2.49 8.49 0.02 5.70 2.58 42 D C C 69.82 9.53 16.08 26.30 114.84 117.36 -92.15 129.84 80.96 10.80 8.24 42.39 30.83 8.71 2.00 5.82 0.01 7.80 2.44 43 T C C 51.09 13.25 18.17 31.44 117.25 -131.85 -89.14 140.94 77.03 18.46 4.51 64.78 7.79 3.75 1.12 3.30 0.00 17.09 2.16 44 L C S 29.95 18.82 19.04 37.03 100.52 -160.72 -87.82 -24.28 66.69 32.18 1.13 31.08 32.88 3.19 0.20 0.91 0.00 30.55 1.18 45 F E E 29.76 18.56 17.30 35.83 131.37 15.73 -136.72 145.57 12.54 86.76 0.71 9.55 3.03 0.89 0.23 0.49 0.00 84.54 1.26 46 D E E 54.15 9.82 20.35 30.91 124.87 -161.44 -120.93 140.63 6.50 93.22 0.27 5.78 0.66 0.19 0.10 0.16 0.00 92.25 0.87 47 Y E E 80.70 14.54 12.64 27.20 113.66 -151.92 -100.34 123.04 19.65 79.88 0.47 14.74 4.11 1.32 0.09 0.38 0.00 78.63 0.72 48 S E E 70.18 4.49 13.82 19.66 108.30 155.57 -98.92 78.16 38.68 60.06 1.26 13.90 13.93 13.21 0.13 1.24 0.00 56.52 1.08 49 S C T 93.14 1.48 14.01 15.37 97.24 0.09 16.45 27.09 98.10 1.18 0.72 4.52 22.80 70.68 0.04 0.83 0.00 0.98 0.15 50 G C T 45.28 6.59 12.94 20.73 96.87 -68.31 82.39 3.50 98.12 1.29 0.60 5.16 32.32 60.61 0.02 0.69 0.00 1.07 0.13 51 K E E 102.34 5.73 17.86 24.78 126.19 103.69 -114.77 145.18 27.43 72.43 0.14 18.94 8.24 1.21 0.02 0.14 0.00 70.28 1.16 52 F E E 39.79 19.38 12.92 32.09 116.58 -127.47 -92.10 131.68 7.36 92.61 0.03 6.50 0.62 0.08 0.01 0.02 0.00 91.92 0.85 53 M E E 73.60 8.71 21.43 30.80 124.17 -169.62 -120.60 135.22 9.85 90.13 0.02 8.76 0.64 0.04 0.00 0.01 0.00 90.23 0.31 54 P E E 41.96 16.69 14.67 31.09 114.62 -110.45 -66.64 145.85 16.42 83.43 0.15 14.30 1.62 0.30 0.03 0.11 0.00 81.62 2.00 55 Q C C 82.90 10.38 17.33 28.25 108.67 -138.52 -88.79 119.53 78.76 20.68 0.57 42.16 34.83 2.57 0.12 0.51 0.00 18.01 1.81 56 K C C 116.56 6.33 17.72 25.21 118.47 -90.53 -101.65 132.52 88.16 11.52 0.32 44.12 43.34 1.39 0.08 0.26 0.00 9.04 1.79 57 P C C 59.45 12.88 13.08 26.18 113.34 -109.96 -67.37 147.10 91.51 6.99 1.49 76.94 9.73 4.60 0.33 1.31 0.00 5.02 2.08 58 A C C 60.19 8.87 14.22 23.84 106.88 -119.51 -74.62 139.90 91.90 4.45 3.65 58.16 22.35 11.06 0.61 3.50 0.00 2.58 1.75 59 D C C 100.83 4.60 16.50 22.20 106.38 -92.29 -84.02 91.27 90.19 5.15 4.66 58.64 19.73 11.57 0.79 4.36 0.00 3.23 1.67 60 M C C 83.28 12.12 13.87 26.10 106.81 135.18 -86.21 79.48 86.32 9.41 4.27 50.21 20.82 15.62 0.79 3.68 0.00 6.98 1.90 61 G C C 32.56 9.85 17.31 27.66 116.30 -139.13 135.69 167.72 67.78 29.93 2.29 38.27 19.49 11.12 0.42 2.03 0.00 26.51 2.15 62 I E E 67.25 12.33 17.17 29.83 119.50 -103.72 -104.69 135.57 35.96 62.66 1.38 27.16 7.09 1.92 0.57 0.98 0.01 55.96 6.29 63 A E E 41.37 12.99 17.58 30.81 119.74 -151.46 -101.55 138.72 32.19 66.81 1.00 25.74 4.57 1.08 0.49 0.65 0.01 60.28 7.18 64 W C C 71.62 13.78 15.77 30.12 120.65 -151.20 -107.41 137.81 55.57 43.49 0.93 44.52 8.59 1.86 0.25 0.77 0.00 41.36 2.66 65 P C C 67.37 8.53 16.75 26.13 109.13 -114.55 -70.91 144.89 68.64 27.52 3.84 38.01 17.43 14.04 0.55 3.47 0.01 24.41 2.07 66 S C C 57.44 9.10 14.07 23.83 109.19 -112.03 -92.13 96.26 77.45 17.01 5.53 27.48 26.02 25.64 0.74 4.88 0.02 12.13 3.09 67 G C T 47.83 5.68 13.94 20.65 103.56 -30.62 56.18 -30.44 87.88 5.36 6.76 15.19 34.15 38.96 0.67 6.11 0.00 3.42 1.50 68 D C T 99.78 4.24 14.38 19.49 101.04 43.07 -88.79 7.89 89.43 3.53 7.04 12.81 30.04 46.77 0.80 6.18 0.01 2.24 1.15 69 G C S 42.17 7.75 13.61 22.24 101.06 -95.96 81.55 4.52 79.61 15.01 5.38 23.23 31.74 25.99 0.86 4.36 0.02 11.40 2.40 70 R C C 115.27 7.59 14.93 23.63 115.82 129.45 -93.14 136.15 63.91 32.61 3.47 44.25 12.95 6.80 1.00 2.67 0.01 28.62 3.69 71 Q E E 90.52 10.88 15.33 26.46 114.82 -148.78 -93.59 129.47 43.64 53.32 3.04 31.57 8.85 4.15 1.23 2.12 0.02 46.73 5.32 72 A E E 37.91 11.86 15.97 28.69 121.33 -157.32 -106.31 139.80 38.87 59.15 1.98 32.46 4.97 1.47 0.96 1.07 0.00 56.41 2.67 73 E E E 111.43 6.61 19.47 26.96 114.95 -114.73 -79.10 138.15 33.50 64.48 2.02 28.58 3.04 1.20 1.15 1.05 0.01 58.86 6.13 74 M C C 40.84 19.38 10.67 29.06 114.96 -132.43 -89.53 130.94 68.52 29.41 2.07 58.41 6.04 2.66 0.71 1.41 0.00 26.92 3.85 75 K C C 139.87 3.59 18.22 22.58 109.48 -160.75 -99.57 99.09 77.34 19.32 3.34 32.63 22.12 24.32 0.72 2.55 0.02 14.46 3.17 76 G C T 46.59 5.19 15.81 21.96 114.08 0.37 93.16 -12.81 86.73 10.32 2.94 13.85 36.12 37.41 0.36 2.51 0.01 8.19 1.55 77 G C C 36.86 8.50 15.49 24.66 120.82 -4.41 109.78 -173.70 80.53 17.34 2.12 35.38 30.46 15.75 0.33 2.00 0.01 13.56 2.52 78 K C C 122.62 7.00 16.97 25.00 117.88 -77.49 -98.97 139.11 69.56 28.73 1.71 43.73 18.71 7.57 0.42 1.57 0.01 22.82 5.18 79 G C C 26.81 12.35 15.93 28.36 128.47 152.33 -147.93 172.24 63.09 35.65 1.25 37.74 19.91 6.77 0.25 1.16 0.00 31.52 2.65 80 S C E 55.90 9.82 19.82 30.00 125.83 -122.03 -119.24 147.68 51.46 47.19 1.36 38.44 9.29 3.46 0.39 1.14 0.00 43.08 4.18 81 F E E 49.99 18.27 14.31 31.92 122.62 -154.76 -114.45 138.37 44.65 54.10 1.25 34.37 6.88 2.34 0.52 0.93 0.01 47.13 7.83 82 N C C 91.52 6.98 20.28 27.97 113.38 -157.49 -103.94 113.59 67.55 31.55 0.91 48.40 16.68 2.55 0.32 0.73 0.00 26.95 4.37 83 Q C C 73.15 13.65 15.87 29.41 118.31 -139.94 -97.84 131.92 85.83 12.32 1.85 65.35 18.31 2.33 0.87 1.03 0.00 9.67 2.43 84 P C C 52.02 11.62 15.36 27.72 113.39 -113.39 -68.58 151.33 83.64 6.07 10.29 55.18 13.51 15.21 5.04 5.05 0.01 4.30 1.70 85 D C C 74.00 6.65 17.71 25.31 107.65 -112.85 -83.60 112.63 85.16 4.36 10.48 68.69 6.15 10.35 5.89 4.30 0.00 2.58 2.03 86 L H G 49.18 17.09 11.22 27.79 95.05 -167.92 -73.03 -18.65 33.63 2.53 63.85 20.66 5.48 8.60 27.06 35.84 0.02 1.65 0.70 87 R H G 150.10 4.54 15.14 21.16 93.17 71.70 -69.06 -23.66 24.54 2.52 72.94 7.41 4.53 12.80 28.76 43.98 0.12 1.86 0.54 88 K H G 137.16 3.06 16.09 19.83 96.74 55.37 -80.93 -13.06 25.07 3.72 71.20 7.91 4.96 12.86 27.04 43.53 0.21 2.70 0.80 89 Y H H 83.56 12.86 11.94 24.88 103.70 57.19 -95.78 2.87 45.03 7.04 47.93 19.92 13.07 14.61 24.63 20.54 0.38 3.41 3.43 90 G C C 28.34 7.11 17.00 25.28 128.93 -122.78 106.43 -175.12 91.51 6.22 2.28 48.36 34.18 9.55 0.75 1.45 0.00 3.64 2.07 91 P C C 84.24 5.98 17.50 24.22 112.24 -31.74 -71.54 143.42 91.12 5.82 3.06 45.67 35.58 10.34 1.13 1.80 0.00 3.04 2.44 92 F C C 55.26 17.13 12.69 29.36 117.46 -129.36 -92.12 136.01 88.06 6.08 5.86 64.28 20.62 2.78 4.57 1.52 0.01 2.36 3.86 93 P C C 54.61 9.93 16.71 27.69 107.78 -109.08 -67.47 146.91 76.81 3.00 20.19 55.87 8.73 11.15 17.25 4.09 0.00 1.74 1.16 94 D C C 73.98 8.06 17.92 26.53 104.66 -108.19 -78.37 90.25 62.97 3.98 33.06 45.58 7.37 9.66 28.36 5.24 0.01 2.31 1.47 95 F H H 60.52 14.02 14.96 29.23 95.50 97.85 -68.56 -33.96 28.86 4.82 66.33 15.96 6.00 9.46 52.92 10.69 0.17 3.68 1.10 96 L H H 60.88 12.14 14.93 27.45 94.58 57.84 -68.99 -32.68 23.45 6.30 70.25 11.85 4.91 8.83 55.72 11.89 0.24 5.51 1.06 97 K H H 114.15 5.41 16.34 22.68 95.70 56.70 -71.11 -33.06 23.48 5.75 70.77 12.74 4.88 8.05 56.48 11.76 0.17 4.89 1.03 98 R H H 117.55 6.87 14.47 22.40 97.22 55.02 -75.36 -23.14 28.49 5.18 66.33 15.60 5.77 9.48 54.53 9.33 0.15 3.97 1.16 99 S H H 53.43 9.16 12.70 22.75 99.18 63.14 -80.85 -13.80 38.81 5.61 55.59 18.61 7.15 14.74 46.57 7.26 0.18 4.00 1.49 100 M C H 98.98 7.66 11.27 20.06 102.91 69.92 -86.30 8.84 52.98 7.11 39.91 22.29 10.62 21.45 32.26 6.51 0.20 4.60 2.07 101 D C C 100.64 3.62 11.78 16.95 105.62 114.06 -86.30 80.62 72.71 5.01 22.29 49.97 2.49 18.86 19.77 3.68 0.00 3.17 2.05 102 L C C 94.83 8.12 11.52 20.70 105.75 116.05 -85.86 45.35 99.82 0.13 0.05 99.66 0.11 0.10 0.03 0.00 0.00 0.07 0.02