# 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 117.11 5.47 14.26 21.10 116.55 -157.35 -97.65 127.09 98.84 1.16 0.01 99.00 0.11 0.03 0.00 0.00 0.00 0.80 0.05 1 V C C 69.23 9.86 10.15 21.04 121.92 -170.13 -112.92 136.92 60.80 38.96 0.24 59.66 0.91 0.43 0.10 0.11 0.00 34.41 4.39 2 N C C 117.83 2.21 15.15 18.09 112.24 -139.59 -92.68 119.28 59.90 39.84 0.26 48.39 8.68 1.64 0.07 0.25 0.00 35.93 5.04 3 V C C 54.02 14.08 9.13 23.17 118.65 -163.08 -102.73 131.12 76.44 23.50 0.06 66.87 9.42 0.23 0.02 0.05 0.00 21.77 1.63 4 P C C 52.44 7.48 13.02 22.48 114.32 -109.04 -65.24 149.31 86.02 13.45 0.54 83.13 2.28 0.83 0.12 0.36 0.00 11.82 1.46 5 K C S 156.57 2.48 13.75 17.61 94.01 -132.99 -70.14 -24.78 92.85 5.57 1.58 11.94 59.44 21.54 0.16 1.37 0.00 4.83 0.72 6 T C S 83.96 3.84 15.22 20.14 121.63 43.63 -120.54 138.77 76.10 22.20 1.70 19.18 35.49 22.01 0.14 1.59 0.00 20.53 1.06 7 R C C 98.99 10.67 12.74 24.29 124.76 -176.87 -122.30 142.61 59.51 39.78 0.71 51.59 6.17 0.95 0.10 0.67 0.00 39.53 1.00 8 R E E 115.12 8.43 15.66 25.24 118.64 -137.41 -99.12 138.17 20.39 79.58 0.03 20.03 0.51 0.03 0.01 0.02 0.00 78.78 0.62 9 T E E 44.54 10.79 15.41 27.60 127.57 -167.99 -123.71 146.06 3.75 96.24 0.01 3.29 0.24 0.01 0.00 0.00 0.00 96.35 0.11 10 F E E 92.41 7.61 15.24 24.52 116.55 -124.62 -95.60 131.90 2.70 97.29 0.01 2.60 0.18 0.01 0.00 0.00 0.00 95.57 1.64 11 C C C 22.61 12.47 9.76 24.11 109.18 -132.07 -86.26 118.41 60.70 39.26 0.03 60.47 0.67 0.06 0.01 0.02 0.00 37.49 1.28 12 K C T 150.48 2.21 13.44 17.01 93.66 -158.79 -68.59 -28.33 99.26 0.14 0.60 0.30 3.53 95.47 0.01 0.56 0.00 0.10 0.03 13 K C T 160.54 0.95 13.16 13.66 96.93 47.74 -75.57 -38.45 99.23 0.06 0.71 0.08 2.01 97.28 0.01 0.57 0.00 0.02 0.01 14 C C T 72.49 3.83 11.27 16.58 101.48 22.80 -105.44 -14.15 99.52 0.04 0.44 0.21 2.09 97.28 0.00 0.39 0.00 0.02 0.01 15 G C C 47.18 3.74 12.22 17.70 96.29 -122.79 78.17 5.59 99.04 0.77 0.19 60.35 5.73 32.93 0.03 0.17 0.00 0.60 0.19 16 K C C 115.49 2.97 15.54 19.61 120.84 128.15 -89.17 149.25 74.28 25.70 0.02 70.74 2.83 0.13 0.00 0.02 0.00 25.75 0.52 17 H E E 87.81 12.63 11.78 24.75 116.20 -115.39 -83.56 136.78 1.70 98.30 0.00 1.64 0.08 0.00 0.00 0.00 0.00 96.56 1.72 18 Q E E 71.74 7.70 16.96 26.18 127.60 -171.90 -133.06 144.15 6.90 93.09 0.00 6.36 0.35 0.01 0.00 0.00 0.00 93.17 0.11 19 P E E 77.04 7.58 16.90 25.43 114.72 -105.41 -66.83 144.91 17.62 82.36 0.02 16.26 1.04 0.07 0.00 0.02 0.00 82.05 0.57 20 H C E 47.68 16.05 12.33 28.49 127.02 -167.70 -122.11 151.50 50.46 49.45 0.09 45.22 4.32 0.24 0.02 0.07 0.00 49.36 0.76 21 K E E 130.56 3.66 20.33 24.72 117.63 -125.99 -97.68 135.67 37.03 62.90 0.08 33.77 2.62 0.16 0.02 0.05 0.00 61.15 2.23 22 V E E 44.57 17.49 10.76 27.67 116.93 -136.86 -93.80 133.38 32.61 67.25 0.14 31.21 1.05 0.11 0.06 0.07 0.00 63.30 4.21 23 T E E 71.77 5.35 17.78 23.96 114.06 -167.48 -98.85 139.00 45.40 54.32 0.28 33.05 11.59 0.79 0.07 0.24 0.00 53.18 1.08 24 Q E E 107.94 5.84 15.98 23.02 118.73 -103.05 -109.57 135.96 34.77 64.76 0.47 27.91 5.97 0.87 0.14 0.37 0.00 61.64 3.10 25 Y E E 87.23 13.38 10.08 23.54 121.58 -159.48 -111.83 138.68 43.56 56.00 0.44 40.07 2.35 0.40 0.23 0.25 0.00 50.06 6.65 26 K C C 119.82 4.16 14.11 19.60 116.46 -126.49 -89.88 145.35 77.76 20.81 1.42 58.74 14.49 4.31 0.38 1.19 0.00 18.10 2.77 27 K C T 149.67 3.10 12.35 17.15 109.12 -99.68 -70.24 136.11 87.68 7.61 4.71 17.27 27.00 43.97 0.76 3.89 0.01 5.37 1.73 28 G C T 50.15 4.62 12.05 17.67 107.31 29.79 83.20 -4.43 92.21 3.07 4.71 25.31 25.14 41.88 0.60 4.29 0.00 1.75 1.04 29 K C C 115.21 5.81 11.43 18.66 112.05 110.10 -89.67 124.99 87.66 4.97 7.37 42.86 24.95 19.99 1.31 6.18 0.01 2.43 2.28 30 D C C 110.02 3.14 14.01 18.30 102.99 -142.75 -90.22 17.05 89.07 4.20 6.73 46.50 23.35 19.30 1.40 5.38 0.00 2.09 1.97 31 S C C 36.42 8.77 12.20 22.76 128.06 105.81 -115.71 159.71 82.22 8.08 9.70 47.46 28.82 5.48 5.90 3.57 0.02 2.75 6.01 32 L C T 91.63 7.75 15.03 24.02 92.92 -110.81 -64.08 -29.38 53.07 1.55 45.38 6.21 9.47 35.59 21.61 24.96 0.23 0.85 1.08 33 Y C T 112.75 8.87 15.48 25.16 94.99 57.53 -79.50 -16.14 51.46 2.48 46.07 6.58 8.03 34.73 22.32 25.11 0.40 1.53 1.30 34 A C H 38.59 10.38 13.77 25.39 100.13 65.55 -77.83 -4.61 47.66 5.62 46.72 16.26 11.40 20.86 23.04 22.48 0.34 3.16 2.46 35 Q C T 96.93 7.22 15.36 23.51 106.45 70.48 -88.88 49.86 65.22 5.62 29.17 20.76 14.20 30.93 20.38 8.00 0.24 3.06 2.44 36 G C C 31.89 9.15 13.58 23.68 120.78 -132.75 91.88 173.21 73.65 7.25 19.09 31.55 16.90 26.25 11.37 7.10 0.14 4.28 2.42 37 K C C 130.43 4.88 14.89 21.03 112.28 -96.68 -93.23 129.76 62.71 13.26 24.03 39.57 13.10 9.99 15.28 9.18 0.11 9.38 3.41 38 R C C 127.07 7.57 12.40 21.24 117.44 -134.60 -96.18 133.05 52.80 21.11 26.09 33.11 10.81 9.18 16.20 10.13 0.15 16.77 3.67 39 R C C 130.82 6.52 13.52 21.44 114.78 -154.58 -96.97 129.88 46.67 27.52 25.82 28.62 9.63 9.05 16.53 9.81 0.16 22.16 4.06 40 Y C C 100.26 9.55 10.58 21.28 119.57 -156.23 -108.21 135.74 48.56 27.76 23.69 30.17 11.24 7.47 16.69 7.56 0.16 21.91 4.79 41 D C C 83.52 5.05 12.57 19.21 113.15 -150.77 -97.04 128.54 61.02 18.37 20.61 42.72 10.04 7.98 14.35 6.87 0.06 15.39 2.59 42 R C C 151.49 4.93 10.93 17.55 103.01 -141.52 -79.97 9.30 59.67 15.07 25.27 33.91 13.54 13.07 14.47 10.67 0.15 11.52 2.68 43 K C C 143.25 2.33 11.79 15.29 106.40 104.14 -85.42 67.19 59.84 17.29 22.88 35.99 12.40 11.82 12.82 10.37 0.16 12.69 3.77 44 Q C C 108.20 5.22 9.22 16.07 109.30 90.81 -87.81 108.96 65.45 19.14 15.40 44.88 11.16 8.31 9.15 6.73 0.13 11.70 7.93 45 S C C 74.55 4.09 9.97 15.59 109.46 135.91 -94.32 101.51 79.83 11.23 8.94 52.02 14.32 13.32 4.23 4.53 0.02 6.74 4.83 46 G C T 53.45 2.51 10.44 14.27 111.62 -6.02 77.02 -12.48 86.35 3.89 9.75 22.06 30.41 34.76 2.04 6.93 0.01 2.18 1.60 47 Y C T 168.31 2.59 9.19 13.15 106.44 -1.12 -94.27 67.24 83.89 4.31 11.81 15.70 25.23 43.35 2.10 9.04 0.02 2.30 2.25 48 G C T 58.28 1.88 10.95 13.64 105.56 -14.88 69.35 2.11 86.65 3.74 9.61 18.01 26.23 42.38 1.29 8.34 0.01 2.15 1.59 49 G C C 51.15 3.67 10.31 15.55 107.27 -58.36 74.82 12.55 88.25 5.86 5.89 37.96 27.95 22.45 0.82 5.44 0.00 3.34 2.03 50 Q C C 110.76 4.65 10.19 16.47 115.15 122.39 -88.06 137.20 83.32 13.75 2.93 56.88 20.61 5.42 0.85 2.31 0.00 7.92 6.01 51 T C C 94.05 4.36 11.11 17.09 108.25 -133.74 -93.54 64.79 80.46 18.25 1.29 60.45 16.55 2.80 0.43 1.00 0.00 12.29 6.47 52 K C C 123.37 4.42 12.11 18.17 119.10 -141.45 -102.81 136.03 82.25 17.51 0.24 65.86 16.11 0.64 0.10 0.18 0.00 14.79 2.32 53 P C C 78.47 6.81 11.48 19.93 113.76 -109.33 -67.35 145.41 72.67 26.72 0.61 68.46 3.13 0.73 0.31 0.34 0.00 19.90 7.13 54 I C C 98.89 6.85 11.26 19.49 112.03 -140.62 -93.48 126.48 76.94 20.54 2.52 47.32 27.70 2.57 1.69 1.03 0.01 16.42 3.27 55 F C C 117.00 6.39 11.20 19.05 121.15 -143.59 -112.82 137.81 61.55 35.11 3.35 43.19 16.37 2.19 2.34 1.33 0.02 26.92 7.65 56 R C C 146.44 5.25 11.24 18.32 117.55 -156.51 -103.96 133.06 69.75 25.81 4.44 60.76 6.14 2.02 2.95 1.75 0.00 21.99 4.38 57 K C C 128.13 5.09 11.34 18.06 117.11 -143.82 -95.26 141.52 75.31 13.54 11.14 52.85 15.66 6.71 6.50 4.83 0.01 10.26 3.18 58 K C C 136.09 4.36 12.27 18.33 113.37 -123.44 -85.81 137.38 75.49 9.97 14.53 49.94 16.98 8.67 7.45 7.23 0.02 6.58 3.14 59 A C C 56.87 8.93 9.90 19.92 114.22 -120.26 -78.95 143.10 75.59 6.74 17.68 55.32 12.28 8.05 7.87 9.85 0.01 4.35 2.28 60 K C C 135.26 4.09 13.09 18.61 110.14 -135.75 -86.26 128.38 76.04 7.08 16.87 51.11 14.79 10.33 7.34 9.42 0.02 4.31 2.69 61 T C C 83.85 6.56 12.31 20.05 110.81 -141.08 -92.31 112.38 77.47 7.95 14.58 46.35 17.99 13.55 5.98 8.38 0.03 4.72 3.00 62 T C C 76.99 7.15 12.91 21.11 109.68 111.88 -97.29 86.06 83.06 7.77 9.16 48.88 21.45 13.15 3.63 5.38 0.01 4.91 2.57 63 K C C 114.32 7.06 14.99 23.12 109.17 83.30 -89.53 97.17 87.12 9.47 3.42 46.57 34.19 7.17 0.95 2.35 0.00 7.17 1.58 64 K C C 91.63 9.95 16.89 27.35 119.56 70.10 -104.37 140.81 72.57 26.71 0.72 48.57 21.22 2.38 0.14 0.59 0.00 26.01 1.09 65 I E E 34.98 16.14 16.41 33.09 119.71 -145.64 -106.46 132.07 17.55 82.40 0.05 16.54 0.86 0.07 0.01 0.04 0.00 81.74 0.74 66 V E E 32.36 12.45 20.88 34.57 119.67 -159.27 -110.85 131.17 5.34 94.65 0.01 5.03 0.19 0.01 0.00 0.00 0.00 94.64 0.12 67 L E E 21.40 19.02 18.35 37.81 119.23 -157.93 -105.81 129.89 1.59 98.41 0.00 1.43 0.07 0.00 0.00 0.00 0.00 98.49 0.02 68 R E E 71.94 11.57 23.15 35.10 119.50 -164.44 -111.68 130.58 0.79 99.21 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.26 0.01 69 L E E 17.23 20.77 17.34 38.44 120.16 -156.38 -106.31 133.73 0.74 99.25 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.32 0.01 70 E E E 63.32 9.47 23.04 33.18 123.39 -164.78 -115.75 137.30 1.33 98.66 0.00 1.15 0.10 0.01 0.00 0.00 0.00 98.69 0.05 71 C E E 20.48 17.31 12.96 31.06 113.39 -119.36 -77.29 131.76 16.84 83.13 0.03 15.06 1.10 0.08 0.00 0.03 0.00 83.25 0.48 72 V C S 75.29 6.40 17.86 25.58 97.64 -161.42 -87.59 -22.83 81.26 18.69 0.06 20.89 58.37 1.35 0.00 0.07 0.00 18.99 0.34 73 E C S 86.66 5.64 13.04 20.55 121.07 70.04 -104.64 138.15 82.00 17.70 0.31 9.60 67.80 5.21 0.04 0.27 0.00 15.74 1.34 74 P C T 99.94 3.30 12.79 17.46 104.97 -101.73 -61.75 135.65 97.74 0.38 1.87 1.57 9.18 86.77 0.10 2.00 0.00 0.25 0.11 75 N C T 130.97 1.24 14.31 15.08 95.10 18.89 59.10 13.23 97.33 0.61 2.06 2.39 8.55 86.10 0.14 2.25 0.00 0.44 0.13 76 C C C 46.87 12.52 8.20 20.72 112.63 107.91 -97.00 110.71 77.11 19.68 3.21 51.12 17.01 8.41 0.67 3.23 0.01 13.24 6.31 77 R C C 168.46 2.43 14.25 17.63 100.25 135.40 -97.55 -4.93 80.23 18.69 1.08 64.09 12.90 2.62 0.47 0.71 0.00 17.40 1.82 78 S C C 58.67 5.16 13.68 20.44 121.90 93.79 -97.80 147.96 66.82 31.47 1.71 56.11 8.26 1.58 1.10 0.73 0.00 30.93 1.30 79 K E E 114.16 9.73 12.72 23.35 120.05 -148.30 -107.48 138.17 44.18 53.15 2.67 32.28 10.47 1.02 2.08 0.58 0.00 52.99 0.60 80 R E E 113.04 7.57 16.09 25.00 126.65 -168.19 -124.85 142.36 10.42 86.63 2.95 8.75 1.00 0.35 2.61 0.47 0.00 86.36 0.46 81 M E E 89.16 11.71 14.87 27.06 120.29 -142.28 -106.82 134.28 7.40 89.89 2.72 6.76 0.37 0.15 2.61 0.31 0.00 89.24 0.56 82 L E E 52.47 12.48 15.63 29.06 120.80 -165.31 -110.13 137.40 20.65 76.96 2.38 18.99 0.89 0.19 2.22 0.34 0.00 76.96 0.40 83 A E E 54.33 8.20 18.76 27.79 117.44 -133.63 -92.08 137.07 34.22 63.16 2.62 30.11 2.55 0.44 2.21 0.52 0.00 63.58 0.60 84 I E E 40.63 17.45 12.66 30.13 122.01 -162.51 -111.96 135.20 43.70 53.03 3.27 40.01 2.53 0.68 2.56 0.87 0.00 51.74 1.60 85 K C E 123.35 4.74 19.43 24.95 118.45 -148.07 -95.74 142.89 52.04 43.82 4.14 37.07 13.02 2.40 2.83 1.44 0.01 42.05 1.18 86 R C E 124.06 8.68 16.40 25.67 114.57 -96.01 -81.70 135.32 50.11 44.53 5.35 35.89 11.78 3.40 3.21 2.33 0.02 39.68 3.69 87 C C C 34.23 16.00 10.57 26.41 120.76 -157.52 -109.88 143.58 50.35 44.33 5.32 43.42 4.60 1.95 2.58 2.95 0.01 39.64 4.84 88 K C S 141.98 3.13 17.13 20.87 98.38 -158.58 -83.10 -27.74 62.50 32.69 4.81 17.03 35.55 11.44 1.30 2.93 0.04 30.32 1.39 89 H C E 108.70 4.75 17.87 23.52 131.17 18.16 -139.78 142.65 51.03 44.27 4.69 24.23 19.20 9.47 1.22 3.01 0.01 41.89 0.96 90 F E E 69.78 16.79 11.21 27.30 125.41 -167.97 -125.79 135.54 44.84 51.23 3.92 39.93 3.62 1.30 1.94 2.08 0.00 48.21 2.92 91 E E E 102.34 5.59 17.70 24.41 118.19 -158.95 -109.69 125.80 47.66 50.05 2.29 43.36 2.65 1.21 1.34 1.08 0.00 46.63 3.72 92 L C C 84.00 10.64 12.91 24.21 113.71 -149.27 -88.41 132.27 62.18 33.59 4.23 34.77 12.64 16.25 1.62 2.58 0.02 29.81 2.31 93 G C C 42.78 4.85 15.08 20.93 110.29 23.94 97.56 -39.24 79.37 15.00 5.63 29.94 25.74 24.87 2.02 3.28 0.03 12.34 1.78 94 G C S 37.60 5.98 13.12 20.40 115.70 33.69 72.42 -163.95 76.52 6.80 16.67 27.33 32.44 17.86 7.86 7.82 0.06 4.78 1.85 95 D C C 88.08 5.36 12.40 19.04 103.49 -26.58 -81.67 38.96 66.17 6.20 27.63 35.52 16.13 15.19 13.71 13.49 0.04 4.06 1.86 96 K C C 126.83 5.03 11.32 17.89 96.54 100.03 -71.16 -20.55 55.62 7.18 37.20 30.63 12.81 12.86 19.08 17.76 0.07 4.92 1.87 97 K C C 142.84 2.47 12.61 16.08 97.16 67.69 -74.29 -17.77 55.61 7.64 36.75 33.21 11.49 11.34 20.11 16.56 0.06 5.24 1.99 98 R C C 135.04 5.03 10.75 17.24 100.56 60.05 -86.04 4.34 61.41 6.46 32.13 40.59 10.50 10.33 18.40 13.91 0.03 4.12 2.11 99 K C T 133.98 4.36 10.13 16.35 107.47 115.42 -75.11 106.62 68.88 4.56 26.56 24.75 10.53 33.81 15.63 10.55 0.08 2.80 1.85 100 G C T 53.53 3.32 11.75 16.26 101.87 22.98 63.19 -1.18 74.94 2.74 22.32 21.43 13.85 40.13 10.58 11.21 0.04 1.71 1.06 101 Q C C 116.00 3.91 10.04 15.72 109.90 114.10 -87.20 122.21 74.71 7.77 17.53 43.57 17.88 13.99 7.26 9.93 0.03 5.14 2.21 102 V C C 104.45 3.81 8.98 14.63 110.73 88.87 -91.11 118.58 70.19 19.54 10.27 44.13 16.38 9.45 5.73 4.80 0.08 12.83 6.61 103 I C C 110.75 4.71 7.82 14.27 114.04 -149.01 -95.83 126.71 81.24 14.05 4.71 72.97 2.88 5.03 2.49 1.92 0.00 10.90 3.80 104 Q C C 134.78 2.47 11.81 15.88 112.45 -145.16 -91.51 125.66 99.49 0.46 0.04 99.41 0.13 0.08 0.02 0.01 0.00 0.32 0.03