# 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 M C C 114.50 5.61 15.18 21.93 117.70 -155.84 -101.69 126.90 99.28 0.71 0.01 99.38 0.09 0.02 0.00 0.00 0.00 0.49 0.03 1 V C C 58.43 11.75 10.40 22.94 122.58 -168.33 -112.67 136.54 66.43 33.40 0.16 66.19 0.58 0.29 0.06 0.07 0.00 30.01 2.79 2 T C C 89.22 3.68 15.91 20.75 115.50 -148.18 -101.83 125.71 56.47 43.30 0.23 47.21 6.94 1.08 0.07 0.21 0.00 38.99 5.49 3 Y C C 83.77 13.31 10.77 24.51 119.20 -164.77 -106.35 131.42 69.26 30.66 0.07 58.73 10.38 0.28 0.02 0.07 0.00 28.79 1.74 4 P C C 48.29 8.75 13.14 23.78 113.84 -109.22 -65.85 148.22 78.74 20.47 0.79 75.33 2.57 0.91 0.17 0.56 0.00 19.02 1.44 5 A C S 80.90 3.82 14.03 19.35 95.39 -132.13 -71.84 -26.27 83.23 10.29 6.48 15.57 50.90 16.97 0.46 5.85 0.01 9.13 1.10 6 E C S 119.04 3.31 16.33 20.45 123.71 37.05 -119.36 144.55 62.96 29.05 7.99 21.14 27.77 14.85 0.48 7.36 0.01 27.26 1.13 7 R C E 99.45 11.48 12.12 24.26 122.28 -162.40 -116.67 135.15 51.72 44.55 3.73 43.08 6.35 1.90 0.38 3.32 0.00 44.08 0.88 8 R E E 113.47 7.88 15.28 24.48 119.04 -145.60 -99.30 136.38 17.44 82.49 0.07 16.86 0.61 0.06 0.02 0.04 0.00 81.89 0.53 9 T E E 49.97 9.98 14.58 26.06 126.30 -166.72 -121.22 147.26 3.11 96.88 0.01 2.84 0.19 0.01 0.00 0.00 0.00 96.84 0.12 10 F E E 95.25 7.06 13.89 22.78 117.91 -130.13 -101.56 131.65 2.98 97.01 0.01 2.95 0.18 0.01 0.00 0.01 0.00 96.05 0.80 11 C E E 29.85 9.80 9.53 21.71 109.22 -137.65 -90.68 117.08 49.12 50.83 0.06 47.98 0.87 0.10 0.01 0.04 0.00 49.95 1.04 12 K C T 150.81 2.07 12.08 15.61 93.76 -160.32 -67.47 -31.00 98.70 0.22 1.08 0.46 3.77 94.53 0.03 1.01 0.00 0.16 0.04 13 R C T 189.60 0.61 12.02 11.62 95.77 49.78 -72.04 -38.11 98.62 0.09 1.29 0.17 2.33 96.29 0.03 1.12 0.00 0.04 0.02 14 E C T 114.66 2.51 10.91 14.46 100.07 25.43 -101.61 -11.25 99.11 0.07 0.82 0.39 2.52 96.24 0.02 0.78 0.00 0.04 0.02 15 G C T 50.30 3.13 11.18 16.16 94.86 -123.44 73.07 11.80 98.95 0.73 0.32 41.21 5.90 51.82 0.05 0.24 0.00 0.67 0.11 16 K C C 113.49 2.96 14.03 18.37 125.14 121.23 -109.27 151.76 54.25 45.72 0.03 51.46 2.19 0.18 0.00 0.02 0.00 45.39 0.76 17 H E E 94.00 11.21 11.13 23.04 118.01 -120.22 -90.73 136.77 2.19 97.81 0.00 2.08 0.10 0.01 0.00 0.00 0.00 96.91 0.89 18 T E E 59.22 6.64 16.56 24.77 127.68 -173.02 -129.60 145.63 4.10 95.90 0.00 3.77 0.19 0.01 0.00 0.00 0.00 95.95 0.08 19 V E E 82.06 8.48 15.50 25.11 115.05 -114.12 -76.48 138.25 10.86 89.11 0.03 9.96 0.62 0.06 0.01 0.02 0.00 88.95 0.40 20 H E E 50.08 14.32 12.94 27.89 127.16 -164.60 -117.04 151.16 36.52 63.29 0.19 31.47 3.51 0.31 0.06 0.11 0.00 64.02 0.53 21 K E E 129.52 4.06 20.06 25.11 118.18 -126.47 -97.52 138.26 31.03 68.76 0.21 28.08 2.24 0.28 0.09 0.12 0.00 67.64 1.55 22 A E E 27.82 18.55 11.34 29.23 120.96 -144.52 -100.33 140.82 32.95 66.56 0.49 30.25 1.86 0.33 0.27 0.24 0.00 64.29 2.77 23 S E E 50.85 6.89 19.09 26.81 123.62 -160.85 -106.78 150.51 37.56 61.60 0.84 28.71 7.74 0.98 0.35 0.49 0.00 60.44 1.30 24 L E E 92.21 8.63 16.06 25.57 116.28 -113.65 -88.85 134.15 32.43 66.28 1.29 25.70 5.73 1.04 0.64 0.68 0.00 63.73 2.48 25 Y E E 81.19 12.88 11.14 24.50 119.41 -151.03 -101.71 138.46 39.65 59.28 1.08 35.83 2.70 0.61 0.74 0.51 0.00 55.46 4.16 26 K C C 120.42 4.56 14.20 20.09 116.62 -136.41 -90.18 141.66 69.05 28.77 2.18 52.88 12.19 4.07 0.84 1.47 0.00 25.77 2.78 27 K C T 144.89 3.68 12.51 17.85 109.39 -102.82 -71.62 135.37 82.83 10.70 6.47 22.72 25.51 35.79 1.56 4.44 0.03 7.89 2.06 28 G C T 48.98 4.88 11.62 17.79 107.22 26.36 74.20 -7.03 88.23 4.17 7.60 25.65 27.30 36.16 1.59 5.54 0.01 2.39 1.37 29 K C C 125.05 4.89 11.64 17.94 106.76 87.28 -86.80 74.73 80.36 5.98 13.66 39.07 25.25 17.07 4.57 8.31 0.03 3.11 2.58 30 D C C 105.35 3.64 13.20 18.04 102.30 58.26 -85.03 7.69 80.04 5.02 14.94 44.20 20.51 15.85 7.03 7.58 0.02 2.75 2.06 31 S C C 42.66 8.19 11.12 20.95 121.42 98.83 -103.35 152.47 67.97 6.19 25.84 42.38 16.78 8.83 17.73 8.12 0.04 3.16 2.94 32 L C H 102.52 6.16 13.67 21.03 94.49 -118.66 -66.24 -26.99 48.33 3.90 47.76 12.25 11.21 25.14 30.16 16.73 0.51 2.39 1.61 33 L H H 94.68 6.18 14.20 21.46 95.90 58.86 -82.11 -14.14 46.51 5.85 47.64 12.40 9.95 24.27 30.50 16.28 0.68 3.93 1.99 34 A C H 45.15 8.70 12.58 22.71 102.52 68.31 -75.42 -6.23 47.16 6.94 45.89 21.97 11.18 15.42 31.02 13.54 0.30 4.26 2.30 35 Q C H 102.35 6.53 14.17 21.70 105.71 74.44 -84.86 40.51 57.57 5.68 36.75 19.48 12.08 26.52 28.85 7.36 0.23 3.61 1.86 36 G C C 34.59 8.39 13.52 22.89 114.21 -89.95 91.99 154.71 64.14 6.30 29.56 26.32 13.95 24.39 22.05 7.22 0.16 4.16 1.75 37 K C C 126.00 5.19 14.40 20.75 113.19 -91.26 -91.54 130.68 48.70 11.44 39.86 30.61 9.91 8.89 30.54 8.92 0.10 8.75 2.28 38 R H H 125.01 7.62 12.52 21.25 113.78 -145.44 -91.05 131.27 36.88 19.22 43.89 22.61 7.61 8.03 32.36 10.50 0.22 16.04 2.63 39 R H H 127.84 6.57 13.91 21.66 112.79 -154.17 -96.44 124.80 32.92 23.12 43.96 19.97 6.79 7.71 32.36 10.58 0.21 19.67 2.71 40 Y H H 97.08 9.47 11.68 22.27 118.32 -150.77 -104.04 134.41 34.89 21.88 43.24 21.31 7.79 7.53 33.71 8.52 0.25 17.62 3.27 41 D C C 71.84 6.21 12.49 20.32 112.42 -146.22 -93.06 123.23 50.33 12.23 37.44 34.28 8.30 7.84 30.64 6.78 0.05 10.21 1.89 42 R C H 146.70 5.23 11.57 18.28 97.73 -147.62 -73.41 -14.10 48.50 9.38 42.12 24.67 10.14 14.51 30.50 10.84 0.14 7.42 1.79 43 K C H 144.57 2.13 12.15 15.17 99.86 66.16 -79.42 -11.39 50.62 11.19 38.19 26.04 10.54 14.95 26.75 10.73 0.19 8.30 2.50 44 Q C C 103.09 5.71 9.22 16.42 107.78 83.61 -86.31 93.33 61.48 11.79 26.74 38.85 11.50 11.17 19.18 7.72 0.11 7.58 3.89 45 R C C 160.58 3.02 10.87 15.32 109.06 -159.69 -91.79 112.59 73.34 9.38 17.28 37.51 15.12 21.31 11.86 5.22 0.10 5.48 3.40 46 G C C 49.22 3.19 10.36 15.04 117.16 22.09 106.04 169.78 83.09 5.25 11.66 30.92 22.80 30.52 4.53 6.30 0.03 2.86 2.02 47 F C T 146.57 3.50 9.06 14.03 108.37 -56.14 -90.36 108.95 77.04 6.94 16.03 24.47 21.10 32.70 4.43 10.35 0.09 3.50 3.36 48 G C T 59.51 1.77 11.10 13.60 104.13 1.20 67.92 9.74 83.92 3.01 13.07 16.24 20.66 47.11 2.37 10.44 0.02 1.78 1.38 49 G C T 53.92 3.15 10.42 15.01 107.30 -46.79 79.95 5.00 85.14 4.58 10.28 28.77 26.41 30.44 1.53 8.62 0.01 2.59 1.62 50 Q C C 111.90 4.41 9.67 15.78 114.35 141.43 -89.45 132.27 83.64 12.18 4.18 55.63 21.02 6.58 1.30 3.12 0.01 6.72 5.62 51 T C C 97.72 3.67 10.66 15.95 107.62 -159.67 -95.36 43.06 82.28 15.77 1.95 59.87 18.55 3.37 0.82 1.31 0.00 10.45 5.62 52 K C C 127.17 4.04 11.38 17.08 119.22 96.36 -102.73 135.11 84.20 15.19 0.62 65.86 17.71 0.84 0.40 0.31 0.00 12.46 2.42 53 P C C 83.84 5.68 10.93 18.35 113.82 -109.09 -67.68 145.88 75.08 23.36 1.56 70.05 3.58 1.10 1.00 0.65 0.00 16.77 6.85 54 I C C 102.57 6.31 10.30 18.13 114.24 -137.46 -94.32 130.90 75.44 19.86 4.70 53.42 19.13 3.08 3.37 1.58 0.01 14.78 4.63 55 F C C 126.40 5.58 10.06 17.22 117.81 -146.71 -101.87 135.76 67.41 26.20 6.39 49.74 14.36 3.16 4.46 2.20 0.02 18.96 7.10 56 R C C 153.71 4.02 10.49 16.43 115.63 -157.26 -102.40 130.79 72.50 18.55 8.95 60.87 7.95 3.45 5.97 3.12 0.01 14.92 3.71 57 R C C 152.39 4.08 10.37 16.23 115.60 -148.77 -96.77 137.20 73.11 11.34 15.55 49.50 15.35 8.41 9.81 5.71 0.02 8.24 2.97 58 K C C 139.06 3.81 11.22 16.78 114.23 -127.39 -89.77 133.22 71.67 9.34 18.99 46.74 15.64 9.65 11.16 7.62 0.04 6.12 3.04 59 A C C 64.06 7.06 9.58 18.04 113.46 -127.37 -82.27 141.13 71.80 7.24 20.95 50.88 12.52 8.69 11.53 9.27 0.02 4.71 2.38 60 K C C 135.92 4.05 12.09 17.66 111.62 -133.45 -90.89 124.76 72.97 8.28 18.75 49.66 13.46 10.10 9.98 8.60 0.03 5.31 2.86 61 T C C 87.97 5.57 11.80 18.73 110.21 -148.02 -93.40 103.23 74.91 9.56 15.53 45.00 17.46 13.05 7.87 7.31 0.05 6.04 3.21 62 T C C 76.43 6.92 12.24 20.41 110.92 -161.08 -98.04 105.03 79.44 10.78 9.78 46.67 20.75 12.63 4.86 4.75 0.03 6.96 3.35 63 K C C 118.07 6.59 14.37 22.13 111.99 90.52 -93.08 119.70 84.45 12.73 2.83 49.00 30.31 5.93 1.17 1.64 0.01 9.83 2.11 64 K C C 93.38 10.17 15.28 26.02 122.14 -149.54 -105.86 141.46 73.40 25.84 0.76 50.68 19.48 2.63 0.18 0.58 0.00 25.23 1.23 65 Q E E 52.54 12.90 16.40 30.11 119.28 -142.24 -103.40 133.70 22.81 77.08 0.11 20.76 1.57 0.21 0.03 0.08 0.00 76.45 0.89 66 V E E 38.55 12.45 18.92 32.54 120.43 -157.64 -110.82 131.84 7.40 92.59 0.01 6.87 0.36 0.02 0.00 0.01 0.00 92.60 0.13 67 I E E 25.69 17.09 17.54 35.52 119.88 -158.17 -109.68 132.31 1.24 98.76 0.00 1.13 0.05 0.00 0.00 0.00 0.00 98.81 0.02 68 R E E 84.20 10.21 21.91 32.77 117.39 -157.43 -107.75 127.75 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 69 L E E 19.76 19.05 16.21 35.70 122.62 -165.74 -112.60 136.51 0.64 99.36 0.00 0.53 0.04 0.00 0.00 0.00 0.00 99.41 0.01 70 T E E 52.31 7.36 20.76 29.24 117.93 -147.28 -107.42 129.02 2.20 97.80 0.00 2.06 0.13 0.01 0.00 0.00 0.00 97.64 0.17 71 C E E 14.85 16.31 10.44 28.05 109.67 -133.50 -81.57 120.75 46.48 53.47 0.04 43.77 1.57 0.14 0.00 0.04 0.00 53.83 0.65 72 S C T 75.50 3.16 15.38 19.71 93.93 -155.50 -68.09 -28.04 98.43 0.56 1.01 1.44 12.06 84.84 0.04 1.08 0.00 0.41 0.13 73 S C T 85.01 1.75 14.21 16.04 98.21 46.99 -77.09 -38.03 98.64 0.16 1.20 0.53 7.10 91.03 0.05 1.14 0.00 0.09 0.06 74 C C T 65.16 5.36 11.67 18.58 101.79 22.51 -106.68 -7.77 98.74 0.34 0.92 2.52 9.47 86.62 0.05 1.03 0.00 0.23 0.09 75 K C C 152.16 2.72 13.34 17.69 94.79 -126.81 62.99 26.15 96.33 3.09 0.58 57.77 8.62 29.95 0.13 0.44 0.00 2.49 0.60 76 C C C 56.48 5.72 13.14 20.79 123.99 132.12 -96.01 155.71 70.37 29.31 0.32 65.87 3.00 0.61 0.11 0.18 0.00 29.41 0.82 77 Q E E 99.54 9.27 13.42 23.96 120.79 -135.15 -106.78 138.04 9.55 89.97 0.49 8.78 0.63 0.16 0.36 0.18 0.00 89.28 0.61 78 T E E 55.95 8.49 16.42 26.39 131.73 -176.87 -134.13 150.42 3.14 96.44 0.42 2.83 0.25 0.11 0.25 0.17 0.00 96.18 0.21 79 F E E 101.04 11.72 14.90 27.13 120.26 -132.66 -103.45 135.09 8.53 90.65 0.82 7.35 0.91 0.32 0.42 0.38 0.00 90.27 0.35 80 Q E E 60.51 11.47 15.86 28.39 123.35 -167.63 -115.91 138.71 37.55 61.40 1.06 33.90 2.09 0.36 0.61 0.38 0.00 62.23 0.42 81 V E E 82.47 7.33 18.55 26.76 115.04 -125.37 -87.23 133.70 44.38 53.55 2.08 38.81 3.77 0.97 1.16 0.84 0.00 53.42 1.02 82 L C C 33.32 18.91 11.74 30.24 118.62 -155.16 -100.93 137.38 59.74 35.40 4.85 53.56 4.20 1.51 2.94 1.90 0.00 33.94 1.94 83 K C C 119.34 5.01 19.87 25.43 116.94 -145.36 -97.15 144.25 60.22 33.09 6.68 44.07 13.08 3.79 3.92 2.82 0.03 30.34 1.96 84 R C C 120.83 8.87 17.21 26.55 115.12 -92.89 -79.95 138.63 54.07 36.88 9.04 40.05 10.17 4.47 5.31 4.07 0.07 30.71 5.15 85 C C C 31.33 16.09 11.86 28.02 122.01 -153.50 -106.50 142.53 57.66 31.86 10.48 49.11 5.04 2.83 6.02 4.67 0.02 27.42 4.89 86 H C C 120.51 4.86 17.68 23.23 101.04 -165.47 -91.49 -27.78 62.41 22.24 15.35 28.95 24.37 11.13 8.21 6.43 0.19 18.51 2.21 87 R C C 122.07 5.67 18.13 24.43 128.96 15.99 -134.77 143.58 56.29 27.93 15.77 33.80 14.48 9.95 8.90 6.76 0.17 23.40 2.55 88 L C C 55.18 15.33 12.74 27.66 117.79 -153.43 -105.81 133.95 55.51 25.30 19.19 45.25 5.91 3.79 13.01 6.31 0.03 22.83 2.86 89 E C C 95.11 6.44 16.41 23.79 114.82 -152.32 -97.57 128.78 57.57 24.68 17.74 48.22 4.71 3.53 13.70 4.42 0.03 22.34 3.05 90 I C C 80.66 9.18 12.37 22.54 108.56 -151.77 -89.31 106.29 59.28 15.42 25.30 46.16 6.41 5.90 20.13 5.49 0.03 13.96 1.93 91 S C C 65.58 5.13 12.76 19.06 108.79 57.23 -87.63 83.39 63.58 9.76 26.67 47.29 6.94 8.85 20.73 6.20 0.02 8.49 1.49 92 R C C 163.30 2.95 11.95 16.12 101.47 -72.22 -79.35 -9.71 61.71 9.50 28.79 38.31 9.33 14.23 21.46 7.22 0.10 7.41 1.93 93 L C C 103.43 5.19 10.55 17.09 102.51 60.25 -87.17 6.71 70.48 7.42 22.09 31.46 12.42 26.86 15.90 6.07 0.13 5.26 1.90 94 G C C 49.04 3.70 12.02 17.07 105.09 -86.03 86.43 7.66 83.90 6.03 10.06 36.49 18.43 30.00 5.92 3.64 0.02 4.07 1.43 95 A C C 61.95 6.27 10.02 17.84 116.23 137.71 -88.67 145.47 79.99 10.40 9.61 48.57 19.97 11.70 5.63 4.08 0.01 7.63 2.41 96 T C C 92.08 4.35 10.93 16.97 114.90 -137.92 -95.38 133.26 72.45 15.10 12.45 49.18 14.35 8.85 7.43 5.13 0.03 11.57 3.46 97 K C C 130.18 5.02 10.57 17.33 114.66 -151.32 -95.41 132.12 70.53 14.69 14.78 48.92 13.60 7.89 9.09 5.84 0.04 11.22 3.40 98 K C C 138.84 3.87 10.88 16.53 113.61 -142.36 -90.70 135.93 72.13 13.07 14.80 50.06 12.79 9.20 8.57 6.30 0.03 10.19 2.85 99 S C C 70.75 5.74 9.65 16.92 113.57 -140.52 -92.38 135.54 76.51 10.43 13.06 54.61 11.37 10.42 6.62 6.49 0.01 7.73 2.73 100 K C C 148.58 3.00 10.72 15.26 110.34 -145.70 -91.44 108.35 76.87 8.85 14.28 32.81 15.23 30.06 5.92 7.59 0.04 6.10 2.25 101 G C T 46.58 5.07 10.11 16.63 116.06 -95.22 71.22 164.14 81.42 6.82 11.77 28.65 20.24 33.92 3.43 7.41 0.02 4.88 1.45 102 S C C 80.58 3.45 10.32 15.34 113.65 -112.36 -92.79 134.11 75.52 14.47 10.01 47.76 16.56 11.68 3.05 6.89 0.01 11.81 2.24 103 V C C 101.90 4.51 8.55 14.84 116.03 -151.87 -97.49 130.47 67.09 26.25 6.66 48.32 11.76 6.81 3.05 3.73 0.03 22.08 4.21 104 V C C 105.48 3.91 8.75 14.43 112.71 -155.15 -97.34 124.73 70.53 25.81 3.66 62.41 2.95 3.81 1.98 1.52 0.00 22.17 5.15 105 F C C 135.43 5.78 10.79 17.81 113.03 -155.64 -97.31 117.63 98.68 1.29 0.03 98.77 0.15 0.06 0.01 0.00 0.00 0.93 0.07