# 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 K C C 150.57 2.89 15.65 19.80 113.05 -129.65 -85.76 129.23 99.76 0.21 0.02 99.63 0.16 0.05 0.01 0.00 0.00 0.12 0.03 1 L C C 77.33 11.46 9.67 21.53 118.13 -158.03 -96.84 135.70 88.43 10.00 1.57 87.43 1.01 1.14 0.82 0.48 0.00 6.32 2.79 2 D C C 91.57 3.57 15.76 20.26 109.35 -143.63 -93.58 109.80 78.81 18.02 3.17 69.51 5.90 2.56 1.57 1.64 0.00 13.13 5.68 3 I C C 49.77 16.70 10.22 26.58 97.50 170.77 -91.48 -3.30 59.71 15.59 24.71 46.41 7.27 6.40 9.96 14.53 0.02 12.16 3.24 4 T C C 78.82 6.27 14.71 22.52 93.35 88.94 -65.00 -29.68 46.18 19.01 34.80 27.01 11.78 10.23 11.77 21.34 0.17 14.94 2.76 5 T C C 87.75 3.92 15.93 20.71 94.20 57.87 -79.76 -14.51 45.26 19.62 35.12 27.06 10.45 10.71 11.09 22.34 0.14 15.23 2.99 6 L C C 57.77 13.93 11.28 25.13 98.60 69.41 -84.67 -4.43 54.45 21.28 24.27 33.96 12.09 9.24 10.46 13.69 0.22 13.97 6.37 7 T C T 70.41 9.45 14.31 24.44 103.90 88.61 -83.59 32.80 74.53 14.96 10.50 23.57 16.88 35.58 4.98 5.01 0.19 9.63 4.17 8 G C T 54.89 3.18 17.63 21.21 97.91 -76.91 83.91 2.23 92.62 4.39 2.99 17.89 33.81 41.62 0.58 2.12 0.00 2.98 1.00 9 V C C 38.20 15.34 9.30 24.80 116.78 116.18 -93.50 132.70 93.03 6.46 0.52 48.49 44.80 0.81 0.27 0.20 0.00 2.84 2.59 10 P C C 66.26 3.80 16.57 21.25 112.84 -105.10 -63.68 143.18 96.69 2.21 1.11 95.18 1.32 0.51 0.81 0.17 0.00 1.00 1.00 11 E H H 119.11 6.76 11.62 20.11 92.56 -119.15 -57.81 -35.95 11.44 0.19 88.38 3.03 1.79 6.33 72.52 16.12 0.04 0.11 0.07 12 E H H 131.86 1.58 15.95 17.26 91.85 60.10 -65.49 -32.28 7.87 0.14 91.99 1.17 0.85 5.28 75.67 16.87 0.04 0.10 0.03 13 H H H 65.56 9.61 13.63 24.49 93.65 51.06 -71.13 -34.73 6.23 0.15 93.63 1.19 0.75 3.88 76.90 17.11 0.03 0.11 0.03 14 I H H 32.55 17.77 11.64 28.82 93.92 53.41 -69.57 -33.11 14.40 0.69 84.91 4.19 2.57 8.49 72.45 11.44 0.16 0.42 0.28 15 K H H 125.67 4.52 17.39 22.99 93.21 59.66 -70.17 -26.34 44.51 0.97 54.52 5.29 5.50 33.18 47.44 7.33 0.23 0.53 0.51 16 T C T 85.10 3.66 18.49 22.24 99.08 45.53 -95.96 -5.41 64.98 1.49 33.53 9.67 9.09 44.94 27.76 6.89 0.10 0.89 0.66 17 R C C 53.66 17.85 12.78 30.13 117.03 105.17 -82.97 139.84 83.96 14.56 1.47 61.93 19.50 2.58 0.67 0.75 0.00 13.41 1.16 18 K E E 101.20 7.05 23.32 31.02 119.85 -147.24 -107.83 133.31 23.53 76.27 0.20 22.11 1.26 0.18 0.08 0.10 0.00 75.00 1.27 19 V E E 9.04 24.15 15.46 39.85 126.53 -167.31 -119.84 140.08 4.19 95.79 0.02 3.82 0.22 0.01 0.00 0.01 0.00 95.85 0.08 20 R E E 71.14 10.35 25.72 36.58 118.45 -155.17 -107.27 129.29 0.67 99.33 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.01 21 I E E 12.31 22.84 18.82 41.82 118.45 -160.18 -110.20 126.87 0.26 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.01 22 F E E 40.24 13.81 22.50 36.80 124.02 -171.15 -116.61 140.03 1.01 98.99 0.00 0.92 0.04 0.00 0.00 0.00 0.00 98.98 0.05 23 V E E 40.91 15.02 19.46 34.62 120.60 -159.55 -115.46 129.04 29.45 70.53 0.02 27.57 0.94 0.04 0.00 0.01 0.00 71.18 0.26 24 P C C 34.93 13.80 15.35 29.99 116.07 -114.10 -67.66 152.36 63.75 35.10 1.14 56.30 5.10 1.13 0.33 0.79 0.00 34.72 1.62 25 A C C 54.28 7.69 15.92 24.57 113.22 -103.53 -71.74 148.67 87.47 8.72 3.81 70.40 13.13 3.66 1.32 2.54 0.00 5.95 2.99 26 R C C 155.10 5.01 12.96 19.50 106.38 -113.86 -80.99 100.40 85.75 8.95 5.30 51.59 27.68 6.46 2.06 3.05 0.01 4.10 5.04 27 N C C 84.43 5.10 11.31 17.93 123.85 148.75 -124.43 153.95 83.93 9.75 6.32 53.31 22.28 7.78 2.59 3.52 0.02 3.84 6.66 28 N C T 126.55 2.38 10.75 14.48 96.79 -115.42 -72.00 -14.42 79.51 2.39 18.10 14.12 25.08 41.35 5.56 11.33 0.03 1.17 1.35 29 M C T 142.29 1.85 11.82 14.19 101.40 55.34 -89.77 1.98 78.49 3.99 17.52 16.83 23.06 39.67 5.35 11.04 0.08 2.04 1.93 30 Q C C 82.97 8.71 8.89 18.71 114.92 92.21 -99.23 123.48 71.45 12.25 16.30 37.22 22.30 12.69 5.52 9.70 0.13 5.22 7.22 31 S C C 70.97 4.55 12.10 18.10 112.58 -159.20 -95.17 127.46 83.30 8.42 8.29 56.73 14.84 11.47 3.78 4.29 0.02 4.26 4.62 32 G C C 39.50 6.75 11.22 19.18 114.15 -128.47 7.37 163.22 81.51 7.13 11.36 35.86 27.86 18.66 3.33 7.16 0.03 3.23 3.87 33 V C T 105.62 3.79 12.69 17.67 101.11 -52.72 -78.12 -20.54 75.20 3.99 20.81 15.15 26.68 34.61 3.89 15.32 0.05 1.92 2.36 34 N C T 114.31 2.94 13.79 17.63 99.99 44.75 -82.96 9.92 77.63 2.01 20.35 9.74 20.68 47.48 3.03 16.81 0.02 1.08 1.15 35 N C T 90.11 7.44 13.62 22.08 99.51 -26.76 36.44 33.87 77.73 5.73 16.54 28.84 20.22 30.17 3.08 12.23 0.02 2.97 2.47 36 T C C 50.80 10.09 14.07 25.40 107.76 141.51 -92.30 72.66 82.20 13.71 4.09 62.88 12.38 6.18 1.36 2.87 0.00 8.86 5.46 37 K C C 89.83 11.22 17.98 29.21 102.29 -139.70 -88.68 33.26 79.29 19.11 1.60 56.02 17.91 5.27 0.38 1.39 0.00 16.40 2.62 38 K C C 76.32 10.59 20.83 31.80 123.96 116.85 -110.49 143.58 56.16 43.51 0.32 43.62 10.66 1.25 0.06 0.31 0.00 42.85 1.25 39 W E E 28.39 21.41 16.25 37.71 125.51 -150.75 -115.46 144.32 11.25 88.73 0.02 10.58 0.50 0.03 0.00 0.01 0.00 88.58 0.30 40 K E E 64.56 10.41 24.42 35.49 124.69 -159.29 -121.18 137.28 0.56 99.44 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.46 0.03 41 M E E 19.13 22.30 17.03 39.57 119.13 -155.38 -108.64 130.06 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 42 E E E 67.87 8.75 24.20 33.56 120.94 -166.55 -116.35 130.00 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.01 43 F E E 37.50 19.59 14.30 33.57 121.47 -158.06 -105.01 136.77 8.65 91.34 0.02 8.14 0.37 0.03 0.00 0.01 0.00 91.11 0.33 44 D C C 60.28 7.61 19.08 27.75 110.16 -143.28 -94.35 115.61 59.08 40.73 0.18 50.08 6.80 0.59 0.03 0.16 0.00 41.57 0.77 45 T C C 56.21 13.07 12.88 26.29 106.09 -171.52 -93.67 34.13 80.88 14.46 4.66 50.98 21.65 8.91 0.75 4.09 0.01 11.60 2.01 46 R C S 149.06 3.97 15.41 20.43 97.81 79.60 -83.06 -15.64 89.58 5.91 4.51 34.58 44.23 11.36 0.71 3.65 0.00 4.18 1.27 47 E C C 110.28 4.42 14.47 20.19 116.23 62.18 -100.11 132.38 85.77 8.85 5.38 55.80 22.63 7.52 0.95 4.83 0.00 6.44 1.83 48 R C C 119.09 10.29 10.96 22.05 118.65 -148.12 -95.73 136.86 82.48 15.44 2.09 70.41 9.13 2.40 0.53 1.62 0.00 13.50 2.41 49 W C C 118.58 6.92 13.36 22.02 125.69 -167.40 -119.90 141.85 52.69 46.81 0.51 45.60 5.06 0.86 0.21 0.38 0.00 42.97 4.91 50 E E E 122.78 4.45 12.85 19.28 116.94 -135.01 -100.06 131.87 19.22 80.62 0.15 16.29 1.63 0.16 0.11 0.08 0.00 61.27 20.46 51 N C C 49.83 9.90 8.06 19.47 109.98 -146.92 -99.74 111.34 63.24 36.68 0.08 61.51 1.44 0.15 0.02 0.05 0.00 33.65 3.19 52 P C T 112.30 1.49 10.95 13.58 93.01 -158.76 -66.24 -25.45 96.35 0.13 3.52 0.65 2.52 92.56 0.05 4.11 0.00 0.08 0.03 53 L C T 130.50 1.44 10.72 12.78 96.37 51.55 -76.10 -34.24 96.74 0.11 3.14 0.30 2.34 93.60 0.03 3.63 0.00 0.06 0.03 54 M C T 108.08 3.92 10.45 15.72 99.71 29.76 -101.77 -9.50 96.64 0.25 3.11 0.79 3.98 90.95 0.05 4.02 0.00 0.13 0.08 55 G C T 52.06 2.13 13.01 15.98 97.50 -119.38 78.72 6.04 96.46 2.92 0.62 33.24 13.77 49.65 0.14 0.50 0.00 2.11 0.61 56 W C C 121.66 6.31 11.53 19.80 129.28 104.43 -119.99 155.85 54.42 45.20 0.38 39.05 13.81 1.99 0.12 0.36 0.00 36.57 8.09 57 A E E 57.48 7.21 14.24 23.01 126.25 -144.77 -118.72 150.27 20.77 78.87 0.36 16.53 2.17 0.40 0.27 0.19 0.00 57.49 22.94 58 S C C 50.73 11.09 12.94 24.77 119.81 -133.74 -99.86 147.94 61.52 38.00 0.48 46.06 13.78 1.97 0.11 0.47 0.00 34.78 2.83 59 T C C 63.54 8.54 14.15 23.93 123.15 -160.57 -112.45 151.92 84.07 15.37 0.56 58.99 21.07 3.98 0.11 0.60 0.00 12.39 2.85 60 A C C 82.00 3.81 14.98 20.21 98.95 -135.17 -83.65 0.35 95.71 3.90 0.39 47.67 45.21 3.15 0.07 0.37 0.00 2.38 1.14 61 D C C 58.75 8.96 12.67 23.27 111.45 113.08 -83.85 120.19 98.34 1.39 0.26 69.45 28.24 0.54 0.10 0.15 0.00 0.45 1.07 62 P H G 74.89 7.56 15.55 24.68 92.65 -139.88 -64.16 -23.52 40.58 0.27 59.15 2.16 3.09 33.20 2.86 58.43 0.00 0.16 0.10 63 L H G 55.43 14.64 14.50 29.16 92.92 62.90 -81.03 -8.44 33.31 0.22 66.47 1.69 2.08 27.73 3.75 64.56 0.00 0.13 0.07 64 S H G 41.80 11.80 14.61 27.53 92.62 87.19 -66.34 -18.03 26.96 0.31 72.73 2.25 2.76 20.08 3.52 71.12 0.00 0.19 0.08 65 N H G 95.14 5.58 18.88 25.40 97.78 50.51 -95.46 7.23 48.20 1.02 50.77 6.83 5.68 34.15 3.69 48.64 0.00 0.66 0.33 66 M C C 50.00 15.18 14.38 30.09 115.14 116.72 -77.63 134.29 75.37 24.08 0.56 63.39 10.72 0.89 0.12 0.50 0.00 22.65 1.73 67 V E E 76.47 8.76 21.39 30.76 118.22 -154.10 -107.20 126.97 14.47 85.50 0.03 14.38 0.39 0.03 0.01 0.01 0.00 82.14 3.04 68 L E E 17.74 21.16 15.88 36.93 122.13 -168.60 -114.60 132.33 5.20 94.80 0.01 5.09 0.12 0.01 0.00 0.00 0.00 94.37 0.41 69 T E E 65.43 7.97 23.98 32.43 122.40 -164.33 -116.06 133.85 7.43 92.57 0.01 7.13 0.20 0.01 0.00 0.00 0.00 92.23 0.42 70 F E E 20.03 18.69 12.93 32.00 132.59 174.56 -132.67 155.31 28.73 71.25 0.02 29.34 0.56 0.02 0.01 0.01 0.00 67.69 2.36 71 S C S 75.98 3.45 20.19 24.09 92.89 -126.40 -72.25 -27.06 99.11 0.87 0.02 3.62 95.16 0.54 0.00 0.01 0.00 0.60 0.06 72 T C S 56.87 3.59 23.26 26.51 139.80 7.01 -150.15 162.86 98.68 1.12 0.19 9.50 89.19 0.32 0.09 0.03 0.00 0.27 0.59 73 K H H 74.76 16.96 13.97 30.33 91.15 -104.28 -59.88 -37.63 0.61 0.00 99.39 0.06 0.10 0.40 99.12 0.32 0.00 0.00 0.00 74 E H H 125.42 2.54 22.12 24.69 91.30 53.96 -62.97 -41.11 0.28 0.00 99.72 0.02 0.02 0.22 99.36 0.38 0.00 0.00 0.00 75 D H H 61.35 5.76 21.90 28.14 91.68 48.99 -65.77 -39.68 0.12 0.00 99.88 0.01 0.01 0.09 99.48 0.41 0.00 0.00 0.00 76 A H H 2.74 23.62 15.52 39.70 91.83 51.65 -63.30 -43.84 0.07 0.00 99.93 0.01 0.01 0.05 99.88 0.05 0.00 0.00 0.00 77 V H H 31.99 14.61 20.93 35.61 91.65 50.04 -63.16 -42.72 0.08 0.00 99.92 0.01 0.01 0.06 99.91 0.02 0.00 0.00 0.00 78 S H H 55.81 2.25 25.12 25.61 91.23 50.29 -62.94 -42.97 0.10 0.00 99.89 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 79 F H H 28.92 12.31 19.63 33.41 91.65 49.85 -63.58 -43.08 0.11 0.00 99.89 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 80 A H H 4.64 21.70 13.79 35.96 91.48 50.38 -63.06 -42.78 0.15 0.00 99.84 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 81 E H H 118.01 4.64 18.05 23.98 91.36 49.76 -63.55 -40.34 0.29 0.00 99.70 0.01 0.01 0.28 99.63 0.06 0.00 0.00 0.00 82 K H H 149.80 1.58 17.95 19.17 90.52 53.26 -65.39 -29.65 3.22 0.00 96.78 0.02 0.05 3.59 96.20 0.14 0.00 0.00 0.00 83 N C T 66.13 10.21 13.37 24.81 94.24 48.75 -93.37 2.78 79.32 0.02 20.66 0.14 0.48 78.26 20.80 0.30 0.00 0.00 0.02 84 G C T 56.47 1.52 20.17 20.56 96.12 -106.94 82.53 15.13 99.87 0.01 0.12 0.57 0.59 98.77 0.04 0.02 0.00 0.00 0.00 85 W C C 39.58 20.00 9.34 28.34 120.20 145.65 -89.57 143.78 97.30 2.68 0.02 96.99 0.67 0.03 0.01 0.01 0.00 2.04 0.25 86 S C C 68.59 3.39 23.54 26.53 115.62 -127.53 -87.89 138.35 64.65 35.32 0.03 63.07 0.92 0.08 0.00 0.02 0.00 35.49 0.41 87 Y E E 49.08 22.43 11.35 32.28 133.61 -173.01 -137.66 152.19 23.51 76.48 0.02 22.92 0.48 0.03 0.00 0.01 0.00 76.16 0.40 88 D E E 68.05 5.86 23.64 29.93 128.71 -166.71 -129.04 146.22 2.02 97.98 0.01 1.97 0.07 0.01 0.00 0.00 0.00 97.77 0.19 89 I E E 47.92 18.60 13.18 31.25 118.34 -140.29 -104.69 127.89 4.34 95.64 0.01 4.42 0.08 0.01 0.00 0.00 0.00 94.90 0.59 90 E E E 89.53 6.81 16.79 24.83 120.82 -168.95 -110.65 138.44 36.56 63.37 0.08 32.56 3.54 0.16 0.02 0.05 0.00 62.72 0.95 91 E C C 118.66 6.42 13.23 21.41 114.75 -123.43 -85.26 133.25 77.08 22.76 0.16 70.06 5.80 0.32 0.04 0.13 0.00 22.90 0.75 92 R C C 127.80 7.84 10.38 19.54 114.99 -122.10 -80.72 140.52 90.62 9.12 0.26 84.57 5.18 0.65 0.06 0.21 0.00 8.36 0.96 93 K C C 153.96 2.09 11.48 15.13 113.06 -124.66 -89.24 128.17 95.87 4.00 0.14 89.90 5.69 0.39 0.04 0.09 0.00 2.32 1.56 94 V C C 95.67 5.36 8.54 15.90 117.13 -148.30 -97.00 132.91 98.33 1.63 0.04 93.36 5.03 0.12 0.01 0.02 0.00 0.84 0.60 95 P C C 92.53 3.70 9.23 14.88 114.91 -109.81 -68.83 149.05 98.83 1.12 0.05 95.11 3.70 0.15 0.02 0.02 0.00 0.54 0.45 96 K C C 161.72 1.47 10.44 13.28 113.80 -114.07 -85.00 132.95 99.11 0.87 0.03 94.64 4.53 0.07 0.01 0.01 0.00 0.39 0.35 97 P C C 88.42 6.11 7.37 15.25 114.79 -108.54 -67.37 148.21 98.42 1.47 0.11 95.79 2.51 0.27 0.03 0.05 0.00 0.69 0.65 98 K C C 155.69 1.59 9.84 12.82 115.33 -120.34 -88.48 139.35 94.84 4.99 0.17 90.80 3.70 0.32 0.07 0.08 0.00 2.04 2.99 99 S C C 90.23 1.93 9.10 12.91 113.20 -106.87 -73.31 141.27 93.37 6.08 0.55 88.24 4.32 0.74 0.23 0.27 0.00 2.84 3.36 100 K C C 136.29 4.12 8.20 14.31 115.44 -141.38 -96.13 141.44 94.77 3.56 1.67 81.09 11.44 1.99 0.84 0.75 0.00 1.68 2.21 101 S C C 77.72 2.44 9.80 13.67 114.04 -123.63 -88.24 135.30 92.19 4.32 3.49 81.82 7.33 2.62 2.06 1.30 0.00 1.88 2.99 102 Y C C 153.05 3.95 9.41 15.08 96.20 -144.20 -70.93 -22.96 57.66 3.85 38.49 28.58 11.42 19.06 21.83 14.91 0.08 1.81 2.32 103 G H H 43.98 3.52 10.35 15.40 93.96 71.63 -65.99 -30.49 41.96 1.50 56.53 13.53 7.93 20.22 29.40 27.33 0.08 0.77 0.74 104 A H G 69.48 2.99 10.63 15.05 94.16 61.62 -72.37 -22.14 25.13 0.98 73.89 6.82 4.38 12.89 35.82 39.13 0.05 0.57 0.34 105 N H G 103.41 3.66 10.46 15.37 97.59 58.34 -84.84 -9.31 28.11 1.43 70.45 6.64 4.87 15.17 35.52 36.32 0.13 0.83 0.51 106 F H H 129.33 4.45 9.76 15.62 108.30 62.43 -100.06 43.30 43.49 5.28 51.22 16.88 10.46 17.44 27.35 22.39 0.40 2.75 2.34 107 S C C 71.27 3.59 9.83 15.12 115.89 121.38 -97.75 135.15 72.74 7.42 19.84 51.43 12.82 7.96 15.74 4.59 0.05 3.63 3.78 108 W C C 173.29 3.96 8.90 14.37 110.90 -151.84 -95.49 112.60 69.02 5.08 25.91 38.19 14.45 17.00 17.87 7.54 0.06 2.80 2.08 109 N C C 106.71 3.01 9.50 14.01 110.72 67.06 -95.23 106.70 72.57 3.21 24.22 44.46 12.45 15.72 16.31 7.85 0.03 1.73 1.44 110 K C C 145.18 3.24 9.16 13.95 101.02 -159.86 -78.43 -9.41 65.94 3.15 30.91 35.85 13.75 16.85 19.65 10.79 0.04 1.71 1.35 111 R C C 169.69 2.07 9.27 12.78 106.93 73.27 -87.45 79.95 68.40 5.14 26.46 39.51 13.60 15.56 17.19 9.15 0.04 3.09 1.85 112 T C C 95.69 3.15 9.00 13.71 111.66 84.90 -99.96 113.01 71.93 9.44 18.63 50.18 12.64 8.65 13.06 6.21 0.03 6.42 2.82 113 R C C 151.75 4.07 8.18 13.90 114.94 -144.61 -93.73 129.36 74.10 14.01 11.89 58.31 8.95 5.89 8.74 3.81 0.02 10.11 4.17 114 V C C 113.99 2.45 8.57 12.68 111.82 -157.38 -97.47 121.71 76.24 12.78 10.98 58.89 9.29 7.26 7.63 3.79 0.01 9.22 3.90 115 S C C 81.24 2.95 7.39 12.17 115.73 -150.77 -97.88 136.47 82.41 7.87 9.72 55.50 14.03 12.98 5.62 3.95 0.01 5.56 2.36 116 T C C 107.68 2.17 7.19 10.99 108.36 -151.64 -93.69 80.00 90.38 4.11 5.51 76.45 4.66 9.87 2.56 2.21 0.00 2.73 1.53 117 K C C 159.08 1.70 10.06 13.05 108.26 -134.43 -85.31 108.87 99.79 0.16 0.05 99.43 0.26 0.16 0.02 0.01 0.00 0.09 0.02