# 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 139.23 3.14 15.83 20.12 115.97 -136.40 -91.83 137.51 99.86 0.12 0.02 99.69 0.18 0.04 0.01 0.00 0.00 0.06 0.02 1 R C C 153.73 5.53 11.78 19.21 112.82 -108.09 -72.45 139.09 89.07 5.29 5.64 72.18 2.88 14.25 1.57 3.50 0.00 3.86 1.77 2 G C C 45.30 5.73 13.13 20.12 107.85 27.41 91.37 -9.16 86.16 9.15 4.68 45.81 17.70 23.17 0.72 4.16 0.00 6.96 1.48 3 E C C 121.74 4.42 14.61 20.34 112.89 49.02 -91.68 127.00 74.80 19.77 5.43 56.26 12.42 5.78 1.43 4.30 0.01 16.33 3.46 4 I C C 79.17 12.73 10.70 23.43 115.66 -165.37 -99.10 128.26 67.30 28.39 4.31 52.39 9.29 5.20 1.66 2.80 0.02 24.41 4.22 5 G C C 37.73 6.10 16.72 23.65 123.38 143.98 -128.10 -122.25 63.82 32.11 4.07 44.24 14.03 6.86 1.40 2.62 0.03 27.92 2.90 6 K C C 136.80 4.76 16.05 22.31 115.10 -54.67 -90.85 131.63 59.61 35.45 4.94 44.19 11.10 4.79 2.08 3.06 0.03 29.46 5.28 7 V C C 53.60 14.92 10.56 25.09 113.87 -162.13 -107.05 115.60 63.39 31.72 4.90 46.48 10.52 5.51 2.07 3.22 0.04 23.40 8.77 8 S C T 74.58 5.52 15.06 21.80 114.21 -140.34 -85.54 136.68 79.50 17.32 3.18 19.89 14.98 46.03 0.72 2.29 0.02 13.37 2.70 9 G C T 57.02 2.65 17.05 19.98 96.31 14.52 83.84 0.38 93.60 4.58 1.82 15.36 26.75 51.70 0.22 1.64 0.00 3.59 0.74 10 I C C 39.60 16.59 8.35 24.46 118.77 113.31 -96.56 134.84 92.92 6.81 0.28 48.71 44.71 0.61 0.11 0.14 0.00 3.13 2.58 11 P C C 65.30 4.00 15.75 20.92 113.64 -105.49 -63.34 145.83 97.69 1.83 0.48 96.27 1.36 0.35 0.24 0.12 0.00 0.86 0.79 12 E H G 133.41 4.40 12.05 18.63 92.32 -115.27 -58.21 -35.07 14.06 0.23 85.71 2.70 1.90 8.76 27.19 59.21 0.01 0.16 0.06 13 E H G 133.76 2.09 15.74 18.39 91.27 62.52 -66.45 -25.43 12.36 0.24 87.40 1.62 1.33 8.45 30.26 58.11 0.01 0.16 0.05 14 H H G 54.24 13.98 12.51 26.78 95.20 52.93 -85.25 -14.64 11.43 0.37 88.20 2.80 1.65 6.50 29.22 59.50 0.01 0.24 0.07 15 L H H 56.53 14.58 13.36 27.85 95.12 77.66 -71.81 -18.91 46.86 3.88 49.26 17.23 10.10 19.90 28.72 19.96 0.29 2.06 1.75 16 S C T 74.15 3.62 19.89 23.74 97.84 61.11 -89.19 -1.45 70.44 5.87 23.69 26.17 12.45 32.91 11.05 11.59 0.07 4.28 1.48 17 R C C 69.71 14.80 14.75 29.71 118.83 106.52 -88.13 142.18 76.89 18.42 4.69 52.00 19.78 5.62 1.70 2.74 0.00 16.68 1.48 18 K E E 98.39 8.89 22.36 31.60 118.95 -133.97 -100.01 134.85 26.87 72.58 0.55 24.11 2.36 0.47 0.24 0.27 0.00 71.13 1.42 19 V E E 9.02 23.64 16.06 39.85 126.59 -168.56 -120.12 141.43 5.04 94.92 0.04 4.66 0.29 0.03 0.01 0.01 0.00 94.86 0.13 20 I E E 37.57 11.84 24.84 37.60 117.01 -145.21 -104.27 127.54 0.67 99.33 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.35 0.01 21 I E E 14.43 21.71 20.14 41.87 118.38 -161.04 -108.03 127.10 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.01 22 Y E E 41.27 15.48 22.40 37.95 126.46 -171.07 -119.34 141.95 1.17 98.83 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.79 0.06 23 S E E 25.64 15.78 20.46 36.16 127.02 -166.73 -121.58 141.58 28.71 71.24 0.05 26.31 1.39 0.09 0.01 0.03 0.00 71.88 0.29 24 P C E 38.88 13.97 17.59 31.92 114.49 -108.08 -68.05 150.94 51.58 44.43 3.99 41.59 7.63 2.77 1.29 2.56 0.01 42.30 1.86 25 A C C 48.78 10.27 16.55 27.41 111.73 -108.76 -75.02 144.07 75.47 13.00 11.53 50.18 18.34 7.72 3.86 7.30 0.04 9.26 3.31 26 R C C 138.63 6.91 14.79 22.64 110.06 -113.06 -83.61 115.44 72.85 14.87 12.28 44.19 20.72 8.37 5.49 6.61 0.08 8.52 6.01 27 T C C 67.42 6.24 13.04 20.70 123.49 59.02 -115.17 155.00 74.75 14.22 11.04 52.55 14.64 6.55 6.29 5.00 0.03 7.34 7.60 28 A C T 78.27 5.01 11.85 18.37 96.61 -112.99 -69.27 -21.80 70.93 4.44 24.63 21.34 21.53 29.70 10.61 12.37 0.11 2.31 2.03 29 T C T 100.40 2.59 13.10 16.59 100.46 60.92 -87.79 -0.97 71.88 4.39 23.72 22.76 20.51 30.34 9.46 12.53 0.11 2.21 2.08 30 Q C C 90.58 8.48 9.90 19.42 110.15 86.95 -91.02 104.94 69.75 7.91 22.34 33.76 20.52 16.88 8.60 12.27 0.09 3.72 4.14 31 S C C 75.46 4.30 11.98 17.82 109.31 -144.26 -91.23 114.71 80.59 6.43 12.98 44.40 17.78 18.96 5.38 7.01 0.03 3.08 3.35 32 G C C 43.37 5.34 12.07 18.80 115.47 14.18 96.61 10.16 81.98 5.47 12.55 37.18 25.02 20.52 3.10 8.79 0.02 2.45 2.93 33 S C T 85.24 2.95 12.84 16.92 105.19 -44.90 -77.53 78.77 78.11 3.25 18.63 16.99 20.56 41.11 3.00 14.92 0.03 1.75 1.65 34 G C T 52.34 4.02 14.37 19.50 100.48 18.94 72.61 0.32 78.03 3.37 18.60 17.75 21.50 39.46 2.58 15.39 0.01 1.91 1.39 35 K C C 105.56 8.83 14.17 23.74 101.90 92.56 -92.40 18.08 75.71 8.76 15.53 46.56 14.76 13.83 2.89 13.36 0.01 5.11 3.48 36 L C C 73.17 11.17 14.95 26.65 112.62 126.84 -81.72 128.87 78.51 13.15 8.33 37.92 17.12 24.29 1.70 6.73 0.02 8.62 3.60 37 G C C 30.05 9.52 18.86 28.89 104.65 15.64 86.39 -2.01 81.57 14.23 4.20 33.56 23.43 25.51 0.54 3.79 0.00 11.73 1.43 38 K C C 88.08 9.74 21.10 31.03 122.42 109.23 -103.86 144.68 69.14 30.17 0.70 53.16 13.15 1.93 0.11 0.68 0.00 29.60 1.37 39 W E E 28.33 21.70 15.71 37.39 125.18 -159.54 -115.29 140.87 15.78 84.19 0.02 15.06 0.64 0.04 0.01 0.01 0.00 83.75 0.48 40 K E E 66.17 10.26 24.60 35.54 125.02 -160.38 -121.33 137.10 0.99 99.01 0.00 0.90 0.04 0.00 0.00 0.00 0.00 99.00 0.06 41 I E E 14.45 23.41 17.04 40.86 119.18 -154.19 -109.65 128.88 0.39 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.01 42 N E E 54.62 8.64 24.90 34.18 119.32 -167.03 -115.47 126.73 1.19 98.81 0.00 1.10 0.06 0.00 0.00 0.00 0.00 98.79 0.05 43 F E E 32.54 20.85 14.73 35.14 119.52 -159.91 -105.84 129.49 13.33 86.62 0.05 12.49 0.68 0.08 0.01 0.03 0.00 86.00 0.71 44 V C C 65.57 7.40 20.59 28.74 114.22 -162.06 -102.27 119.98 65.09 34.57 0.34 50.37 12.14 1.56 0.06 0.33 0.00 34.31 1.23 45 S C C 37.04 13.64 12.79 26.76 122.33 146.23 -108.60 141.57 80.97 17.98 1.05 47.48 28.70 5.48 0.16 1.00 0.00 15.23 1.94 46 T C C 89.60 4.96 16.01 22.11 102.44 -162.42 -100.96 -6.34 88.00 11.22 0.78 44.33 39.95 4.45 0.11 0.75 0.00 9.17 1.25 47 L C C 87.89 5.06 14.83 21.36 120.08 91.89 -99.87 141.19 84.82 14.62 0.56 60.92 21.63 2.15 0.09 0.55 0.00 13.41 1.24 48 K C C 119.33 8.11 12.67 22.38 119.99 -138.50 -98.55 136.59 68.85 30.93 0.21 62.48 4.68 0.61 0.04 0.17 0.00 30.54 1.48 49 W E E 100.54 8.30 13.67 23.71 130.43 -168.77 -131.60 149.60 20.77 79.13 0.09 18.36 1.90 0.20 0.03 0.07 0.00 76.81 2.63 50 E E E 126.09 3.66 14.23 19.56 116.44 -125.68 -96.02 130.81 7.27 92.70 0.03 6.45 0.45 0.04 0.02 0.02 0.00 85.21 7.81 51 N C C 40.88 11.88 7.76 20.65 109.52 -141.15 -94.03 112.95 58.39 41.57 0.05 57.56 0.80 0.09 0.01 0.03 0.00 39.99 1.53 52 P C T 111.83 1.44 11.88 14.13 92.88 -157.26 -67.14 -25.92 98.07 0.09 1.84 0.36 2.09 95.39 0.03 2.05 0.00 0.05 0.02 53 L C T 125.10 2.02 11.09 13.96 96.51 50.90 -77.28 -35.72 98.22 0.07 1.71 0.16 1.77 96.09 0.02 1.91 0.00 0.03 0.02 54 M C T 105.43 4.20 10.76 16.36 99.98 27.35 -103.33 -8.19 98.24 0.17 1.59 0.55 2.93 94.43 0.03 1.92 0.00 0.08 0.05 55 G C T 54.95 1.77 13.14 15.40 96.25 -119.26 77.76 8.47 97.53 1.97 0.50 33.28 10.82 53.60 0.13 0.35 0.00 1.53 0.31 56 W C E 114.36 6.78 10.72 19.53 128.14 113.81 -116.43 154.90 50.44 49.44 0.12 40.20 9.26 0.74 0.03 0.12 0.00 45.96 3.70 57 T E E 81.21 5.17 15.16 21.91 124.10 -138.76 -114.41 147.38 8.00 91.94 0.06 6.72 0.57 0.07 0.05 0.03 0.00 79.27 13.30 58 S E E 44.21 13.20 12.41 25.72 126.52 -145.15 -114.18 151.50 37.77 62.02 0.21 28.08 9.35 1.13 0.05 0.20 0.00 59.83 1.37 59 T C C 71.30 7.30 16.56 24.88 111.92 -152.67 -104.34 86.33 65.57 34.04 0.39 45.56 17.43 2.98 0.08 0.42 0.00 30.55 2.99 60 G C C 42.63 8.07 15.88 24.68 100.12 -140.84 -74.47 4.81 89.16 10.50 0.34 45.72 41.46 2.80 0.07 0.32 0.00 7.74 1.88 61 D C C 61.50 7.62 16.55 25.53 111.32 115.71 -90.80 119.47 97.57 2.10 0.34 72.25 24.91 0.46 0.21 0.11 0.00 0.84 1.21 62 P H G 54.88 13.18 14.59 28.41 92.81 -146.92 -62.75 -29.36 34.06 0.30 65.65 2.41 3.03 26.10 32.75 35.28 0.07 0.16 0.20 63 Y H G 111.05 10.71 16.87 27.79 92.42 61.06 -72.03 -21.61 28.87 0.30 70.83 1.78 2.28 22.61 34.86 38.04 0.09 0.17 0.19 64 A H G 50.71 8.22 16.72 25.96 93.75 65.03 -72.76 -20.07 24.59 0.58 74.83 3.08 3.19 16.16 36.04 40.85 0.11 0.33 0.25 65 N H H 71.43 10.37 15.78 26.61 99.38 55.16 -92.05 4.79 43.63 1.99 54.39 8.44 7.97 25.67 30.33 24.95 0.43 1.03 1.18 66 V C T 54.62 14.22 13.27 27.20 108.01 90.72 -91.67 91.60 61.85 11.82 26.33 19.60 19.64 23.69 16.96 7.23 1.04 4.51 7.32 67 G C T 43.64 5.70 16.58 23.01 109.33 -71.94 62.86 -129.06 76.45 3.64 19.92 22.15 17.44 37.64 6.73 12.20 0.05 1.86 1.91 68 D C T 106.28 4.41 16.65 22.12 99.07 -17.46 -79.61 4.56 70.39 2.78 26.83 15.92 18.42 37.57 6.24 18.90 0.06 1.51 1.38 69 S C T 56.55 10.16 16.64 26.95 101.16 73.37 -86.76 -2.56 65.66 8.07 26.27 22.81 20.11 25.50 5.66 18.44 0.13 5.19 2.16 70 A C C 36.14 13.75 18.22 31.84 122.97 90.93 -106.55 141.35 51.85 33.52 14.62 31.70 12.14 11.17 3.52 10.20 0.06 28.51 2.68 71 L E E 19.92 20.65 17.29 37.53 121.38 -152.21 -110.78 132.49 20.70 78.73 0.57 18.78 1.84 0.40 0.25 0.33 0.00 76.42 1.98 72 A E E 47.54 10.82 23.56 34.37 127.29 -167.14 -121.44 141.64 8.47 91.43 0.10 8.03 0.45 0.07 0.05 0.05 0.00 89.76 1.60 73 F E E 23.54 18.38 13.88 32.61 132.57 -172.14 -133.44 155.41 24.13 75.83 0.04 24.28 0.53 0.04 0.02 0.02 0.00 72.09 3.03 74 D C S 109.85 2.65 20.13 23.10 93.10 -125.82 -75.37 -23.28 98.76 1.22 0.02 4.94 93.45 0.61 0.00 0.01 0.00 0.91 0.08 75 S C S 42.65 4.06 22.58 26.66 141.43 3.14 -155.12 165.14 98.38 1.40 0.22 11.86 86.59 0.38 0.11 0.04 0.00 0.37 0.65 76 E H H 78.66 15.34 14.02 29.05 91.01 -101.47 -60.34 -37.71 0.74 0.00 99.26 0.08 0.14 0.48 98.96 0.33 0.00 0.00 0.00 77 E H H 130.32 1.72 22.32 23.00 91.14 53.28 -63.09 -41.26 0.38 0.00 99.61 0.03 0.04 0.30 99.21 0.42 0.00 0.00 0.00 78 A H H 34.88 6.64 19.81 27.89 91.66 49.29 -64.58 -40.70 0.20 0.00 99.80 0.02 0.02 0.15 99.32 0.49 0.00 0.00 0.00 79 A H H 3.16 23.71 14.26 38.37 91.61 50.98 -63.31 -43.24 0.12 0.00 99.88 0.02 0.01 0.07 99.82 0.07 0.00 0.00 0.00 80 K H H 83.05 11.10 21.89 32.74 91.72 50.91 -63.20 -42.05 0.12 0.00 99.88 0.01 0.01 0.08 99.87 0.02 0.00 0.00 0.00 81 S H H 54.51 2.21 24.47 24.87 91.31 50.19 -63.43 -42.70 0.19 0.01 99.80 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 82 F H H 22.26 13.79 18.76 33.93 91.72 50.03 -63.86 -43.09 0.16 0.00 99.83 0.01 0.01 0.13 99.80 0.04 0.00 0.00 0.00 83 A H H 6.82 20.13 13.77 34.40 91.45 50.87 -63.02 -42.69 0.22 0.00 99.78 0.02 0.02 0.18 99.73 0.05 0.00 0.00 0.00 84 E H H 129.51 2.69 18.34 21.70 91.44 49.66 -64.39 -40.21 0.43 0.00 99.57 0.02 0.02 0.40 99.44 0.12 0.00 0.00 0.00 85 R H H 160.96 2.03 17.52 19.76 90.62 53.31 -65.96 -31.15 3.24 0.00 96.76 0.03 0.06 3.53 96.16 0.22 0.00 0.00 0.00 86 H C T 75.11 11.23 13.16 25.37 95.56 44.71 -96.67 3.57 62.36 0.03 37.61 0.26 0.78 60.93 37.45 0.54 0.01 0.01 0.03 87 G C T 56.60 1.47 20.03 20.19 96.31 -107.68 81.24 16.82 99.83 0.02 0.15 1.78 0.99 97.13 0.06 0.03 0.00 0.01 0.00 88 W C C 39.85 20.06 8.81 27.64 121.60 146.39 -93.54 145.45 96.38 3.59 0.04 95.77 0.89 0.07 0.01 0.01 0.00 2.98 0.27 89 D C C 101.21 2.44 23.19 24.95 112.90 -130.64 -91.96 125.60 64.97 34.98 0.05 62.40 1.51 0.19 0.01 0.04 0.00 35.40 0.46 90 Y E E 49.56 22.40 10.54 31.21 131.78 153.88 -132.85 152.34 34.46 65.52 0.02 32.56 1.36 0.06 0.00 0.02 0.00 65.57 0.42 91 K E E 106.49 4.54 23.70 28.62 124.62 -163.70 -124.89 139.29 3.79 96.20 0.01 3.72 0.14 0.01 0.00 0.00 0.00 95.81 0.31 92 V E E 42.83 19.04 12.51 30.89 117.86 -144.24 -102.40 128.11 3.64 96.35 0.01 3.73 0.06 0.00 0.00 0.00 0.00 95.43 0.76 93 K E E 98.83 6.30 17.12 24.64 122.88 -170.17 -113.85 141.83 26.90 73.09 0.01 25.97 0.99 0.02 0.00 0.01 0.00 71.67 1.34 94 K C C 135.90 4.86 14.93 21.67 115.04 -113.37 -83.29 136.95 90.52 9.47 0.01 86.42 3.82 0.03 0.00 0.00 0.00 9.48 0.24 95 P C C 64.72 11.64 10.03 22.11 113.91 -106.39 -67.34 147.08 95.34 4.59 0.07 92.60 2.56 0.27 0.01 0.05 0.00 4.04 0.46 96 N C C 114.69 3.10 12.17 16.95 112.16 -127.85 -90.19 122.59 97.56 2.36 0.08 89.24 8.06 0.36 0.02 0.06 0.00 1.15 1.10 97 T C C 96.00 3.82 10.75 16.50 117.96 -152.24 -105.79 131.48 98.32 1.64 0.04 87.98 10.49 0.13 0.01 0.03 0.00 0.90 0.48 98 P C C 82.52 6.14 9.24 17.14 114.22 -110.67 -68.42 147.99 97.69 2.19 0.13 94.11 3.41 0.38 0.03 0.08 0.00 1.33 0.66 99 L C C 128.53 2.10 10.23 13.98 113.21 -122.73 -87.81 131.07 95.62 4.20 0.18 91.00 4.38 0.36 0.06 0.10 0.00 1.87 2.23 100 L C C 108.31 5.52 7.66 15.06 115.28 -127.52 -82.17 138.65 95.05 4.74 0.21 91.02 4.00 0.32 0.07 0.11 0.00 2.80 1.68 101 K C C 158.00 1.43 11.28 13.79 116.26 -139.44 -98.29 133.90 93.80 5.98 0.21 90.21 3.56 0.29 0.09 0.10 0.00 3.63 2.12 102 V C C 105.63 4.52 8.58 15.30 114.31 -121.70 -81.68 135.46 90.07 9.21 0.73 86.59 2.87 0.56 0.40 0.28 0.00 4.94 4.35 103 K C C 126.25 4.17 10.28 16.34 119.15 -152.26 -97.89 142.71 94.50 3.88 1.62 82.11 10.79 1.49 1.00 0.59 0.00 2.00 2.02 104 S C C 60.86 3.66 11.74 16.81 118.38 -122.84 -91.97 146.14 92.10 4.36 3.55 81.83 7.89 1.97 2.51 1.00 0.00 1.75 3.05 105 Y H H 128.22 5.83 10.55 18.14 94.06 -126.45 -62.92 -32.65 22.55 1.04 76.41 9.02 4.72 9.52 51.29 24.33 0.11 0.57 0.43 106 S H H 60.89 4.87 10.65 17.13 92.16 61.92 -65.54 -29.41 12.20 0.28 87.53 2.38 1.55 6.94 55.84 33.01 0.03 0.18 0.07 107 D H H 100.09 2.28 12.31 15.59 92.75 57.76 -74.67 -20.63 8.03 0.16 91.81 1.37 0.93 4.73 58.17 34.64 0.02 0.11 0.03 108 N H H 96.39 4.16 11.16 16.83 96.22 56.07 -89.39 -9.41 17.26 0.28 82.46 2.25 2.28 11.31 58.28 25.48 0.12 0.16 0.12 109 F H H 109.71 6.89 9.69 18.03 113.77 59.53 -104.47 103.61 46.25 6.59 47.16 12.92 10.72 24.04 31.88 12.14 1.69 3.13 3.46 110 K C C 141.44 2.40 11.91 16.01 117.04 136.68 -97.97 133.46 81.33 14.04 4.62 62.32 13.81 4.31 3.65 1.47 0.02 7.66 6.77 111 W C C 152.40 6.80 7.57 15.98 116.54 -141.53 -96.56 134.99 83.43 13.18 3.39 71.46 7.06 4.11 2.09 1.38 0.00 8.12 5.77 112 K C C 164.70 1.13 11.42 12.99 110.61 -164.55 -106.50 70.49 87.77 9.77 2.46 57.20 20.62 10.04 1.04 1.43 0.00 5.98 3.70 113 G C S 48.71 2.17 11.32 14.65 126.64 -40.46 116.59 -176.54 95.09 4.44 0.47 38.98 51.54 5.06 0.11 0.39 0.00 2.52 1.41 114 N C C 113.73 2.66 10.77 15.10 116.34 -49.62 -79.54 142.94 98.54 1.36 0.10 82.68 15.48 0.51 0.03 0.07 0.00 0.70 0.54 115 P C C 90.02 5.18 8.56 15.72 111.88 -104.87 -67.27 146.91 98.01 1.47 0.52 83.95 10.64 3.30 0.13 0.41 0.00 0.74 0.84 116 Q C C 134.84 2.15 8.63 12.66 114.93 -114.91 -88.49 137.36 97.64 1.90 0.46 76.75 18.09 2.66 0.13 0.34 0.00 0.95 1.08 117 P C C 111.31 2.20 7.94 12.06 111.32 -113.80 -75.65 140.71 97.87 1.53 0.59 94.54 1.67 1.90 0.16 0.31 0.00 0.82 0.62 118 E C C 151.92 1.73 9.72 12.89 108.44 -121.54 -84.40 116.62 99.80 0.16 0.04 99.58 0.18 0.10 0.01 0.01 0.00 0.09 0.03