# 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 I C C 71.14 12.31 17.33 29.78 119.30 -165.58 -110.63 128.05 95.26 4.65 0.09 95.27 0.14 0.05 0.08 0.01 0.00 4.32 0.14 1 A C C 44.31 10.82 14.91 26.67 120.41 -159.50 -106.87 135.58 51.30 47.82 0.89 49.62 0.82 0.46 0.65 0.24 0.00 45.10 3.11 2 L E E 87.66 8.28 14.52 24.11 120.22 -160.56 -107.50 134.86 41.97 56.39 1.64 35.46 4.29 1.05 1.29 0.65 0.00 50.97 6.27 3 N C C 49.18 12.04 10.50 23.49 112.09 -138.01 -92.85 121.86 73.29 24.67 2.04 65.70 5.11 1.18 1.56 0.65 0.00 23.60 2.20 4 K C H 142.78 2.44 14.93 18.32 94.55 -150.47 -66.58 -29.60 52.50 2.55 44.95 13.10 13.84 26.49 34.96 8.85 0.21 1.75 0.80 5 R H H 130.73 3.96 14.76 19.63 94.23 56.35 -71.80 -30.05 48.49 1.47 50.04 9.74 10.98 28.30 38.41 10.69 0.27 0.89 0.71 6 A H H 22.64 15.05 10.52 25.72 94.64 57.55 -68.29 -31.08 40.35 2.02 57.63 13.38 9.03 18.35 39.67 17.34 0.18 1.21 0.84 7 R H H 126.97 7.46 14.42 22.94 94.08 59.24 -69.00 -28.63 38.63 2.35 59.02 11.95 7.05 19.26 40.41 18.66 0.23 1.49 0.93 8 H H H 122.12 3.53 16.73 20.67 98.20 48.71 -82.67 -22.97 44.59 3.13 52.28 10.85 8.84 24.52 33.14 19.05 0.38 1.99 1.21 9 E C T 92.06 8.17 17.31 25.92 100.91 45.55 -86.99 -24.63 56.49 5.18 38.33 12.38 13.72 30.65 24.32 13.34 0.46 3.64 1.48 10 Y C E 39.59 19.70 13.87 32.44 118.12 41.27 -114.56 130.92 48.72 36.64 14.63 23.05 13.65 15.13 7.31 6.44 0.26 31.50 2.65 11 F E E 83.72 8.80 21.72 30.95 120.22 -159.16 -112.35 133.31 30.96 67.89 1.15 24.20 3.91 2.88 0.52 0.53 0.00 66.84 1.12 12 I E E 37.61 19.63 12.71 31.78 111.17 -131.84 -86.61 121.67 10.66 89.23 0.12 10.49 0.32 0.05 0.06 0.04 0.00 88.13 0.91 13 E E E 107.38 4.95 18.99 24.91 99.73 -176.02 -89.52 -31.80 13.19 86.73 0.08 7.53 5.69 0.39 0.02 0.05 0.00 86.19 0.13 14 E E E 85.93 5.60 20.49 26.93 139.37 1.72 -151.00 156.72 4.32 95.65 0.03 2.51 1.42 0.11 0.00 0.01 0.00 95.92 0.03 15 E E E 94.30 13.19 16.66 29.82 123.92 -134.96 -113.35 138.69 3.74 96.23 0.03 3.30 0.24 0.02 0.01 0.01 0.00 96.39 0.03 16 F E E 35.39 16.24 17.12 33.98 130.76 -174.67 -133.18 147.44 2.02 97.94 0.03 1.84 0.10 0.02 0.01 0.01 0.00 97.96 0.07 17 E E E 92.14 10.43 22.60 33.33 121.87 -150.45 -114.41 133.60 3.38 96.57 0.04 3.04 0.16 0.03 0.02 0.01 0.00 96.67 0.07 18 A E E 8.76 20.94 18.58 39.29 135.37 174.75 -136.98 159.37 11.16 88.73 0.11 9.75 0.83 0.13 0.03 0.05 0.00 89.09 0.11 19 G E E 11.62 16.04 24.74 40.18 135.65 -148.89 -129.64 167.09 9.32 90.60 0.08 7.32 1.58 0.19 0.02 0.04 0.00 90.74 0.12 20 L E E 8.16 24.11 21.59 45.49 127.23 -133.05 -124.21 139.01 3.87 96.04 0.09 3.54 0.26 0.05 0.05 0.02 0.00 95.89 0.20 21 A E E 28.09 14.17 26.85 40.89 118.75 -153.04 -107.89 128.80 4.26 95.66 0.08 3.90 0.24 0.04 0.05 0.02 0.00 95.53 0.21 22 L E E 6.96 24.64 17.81 42.69 122.65 -168.00 -114.86 133.83 21.42 78.44 0.14 20.35 0.75 0.10 0.07 0.06 0.00 77.95 0.74 23 Q C C 76.83 9.35 24.18 33.49 125.00 -158.94 -113.21 147.13 66.39 32.43 1.17 56.49 7.45 1.24 0.52 0.58 0.00 32.58 1.14 24 G C H 26.61 12.04 20.30 31.75 110.38 -25.60 62.51 -130.65 49.25 6.08 44.67 14.25 19.21 17.78 25.27 17.34 0.37 4.35 1.43 25 W H H 133.28 8.73 21.06 29.84 93.68 -1.61 -70.50 -23.86 37.07 6.85 56.08 12.16 9.95 15.81 33.38 21.70 0.42 5.24 1.35 26 E H H 55.34 15.18 19.55 34.36 92.63 65.82 -70.73 -22.09 27.18 14.50 58.32 14.72 5.32 8.16 36.24 21.26 0.17 12.67 1.46 27 V H H 8.73 24.29 16.00 39.76 94.68 68.96 -71.07 -26.59 21.94 18.14 59.92 15.83 3.40 3.63 50.60 7.71 0.05 17.49 1.28 28 K H H 100.53 7.91 23.15 31.32 92.34 71.76 -65.61 -35.00 21.56 19.88 58.56 13.57 3.45 4.56 50.73 6.49 0.07 20.09 1.05 29 S H H 30.29 11.81 20.06 32.47 94.38 54.59 -75.85 -26.30 19.85 22.08 58.07 11.68 3.33 5.00 49.78 7.19 0.11 21.66 1.25 30 L H H 16.90 22.84 14.08 35.86 95.43 69.09 -68.69 -36.00 21.42 19.63 58.95 13.93 3.59 4.70 50.65 6.93 0.10 18.61 1.50 31 R H H 134.58 7.69 19.37 27.84 95.35 66.78 -64.28 -31.88 27.93 17.01 55.06 12.49 5.00 11.77 45.35 8.20 0.54 14.40 2.26 32 A C T 69.36 4.51 18.73 23.52 93.47 50.04 -77.26 -4.34 58.93 3.53 37.54 5.84 7.14 43.97 29.83 9.17 0.39 2.50 1.16 33 G C T 35.28 11.96 15.82 27.51 98.47 -99.43 82.42 8.40 85.64 3.77 10.59 11.36 13.89 60.77 6.33 3.91 0.04 2.81 0.89 34 K C C 119.49 5.76 21.38 27.73 102.31 118.17 -96.18 24.30 71.37 26.72 1.91 52.29 11.03 7.09 0.75 1.24 0.00 23.63 3.98 35 A C C 13.89 22.36 12.88 34.48 125.54 118.00 -108.27 144.52 59.37 40.22 0.41 52.76 4.67 0.74 0.16 0.28 0.00 38.00 3.39 36 N E E 80.86 6.66 26.14 33.51 114.85 -150.43 -109.98 119.64 47.97 51.64 0.39 42.97 3.14 0.57 0.17 0.27 0.00 45.85 7.04 37 I C C 9.87 24.88 14.92 40.01 101.29 -168.06 -104.09 11.56 64.09 32.02 3.89 55.61 4.98 2.88 0.89 2.96 0.01 29.25 3.42 38 S C T 52.40 8.44 21.43 30.50 111.38 128.31 -70.80 139.43 70.70 25.23 4.08 10.10 12.97 49.52 0.35 3.85 0.01 20.86 2.33 39 D C T 93.60 4.92 23.19 28.65 96.70 16.99 57.28 21.88 80.55 16.25 3.20 8.45 21.90 50.29 0.14 3.33 0.00 15.27 0.62 40 S C C 8.24 22.73 14.66 37.28 127.14 120.08 -96.39 154.95 71.88 27.85 0.27 61.30 8.56 0.47 0.03 0.25 0.00 29.01 0.39 41 Y E E 67.80 11.39 27.32 39.34 127.80 -144.41 -123.67 144.29 2.28 97.71 0.01 2.20 0.10 0.01 0.00 0.00 0.00 97.52 0.17 42 V E E 3.36 26.72 18.36 45.98 122.36 -156.49 -118.17 132.57 0.32 99.67 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.68 0.01 43 L E E 45.96 10.27 26.67 37.63 127.19 -173.43 -123.03 141.33 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 44 L E E 36.57 19.93 15.36 34.92 115.11 -141.17 -99.61 125.15 0.61 99.38 0.00 0.51 0.03 0.00 0.00 0.00 0.00 99.45 0.01 45 R E E 106.73 6.93 16.98 25.40 123.23 170.45 -136.13 126.31 5.21 94.74 0.05 3.37 1.10 0.34 0.00 0.04 0.00 94.98 0.16 46 D C T 130.75 0.96 16.69 16.52 92.76 -14.51 52.58 43.13 99.51 0.31 0.18 0.23 3.82 95.54 0.00 0.16 0.00 0.21 0.03 47 G C T 31.83 11.54 14.62 26.57 93.92 -49.95 80.92 3.09 99.78 0.09 0.13 0.28 4.16 95.35 0.00 0.13 0.00 0.06 0.01 48 E E E 77.80 8.93 21.80 31.79 127.60 105.10 -116.50 143.55 3.60 96.39 0.01 2.12 1.03 0.07 0.00 0.00 0.00 96.66 0.11 49 A E E 4.08 24.92 16.77 42.59 116.99 -134.02 -97.29 131.98 0.48 99.52 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 50 F E E 38.48 13.23 27.14 40.87 125.88 -170.16 -122.29 137.45 0.06 99.94 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 51 L E E 5.03 25.14 19.97 45.65 112.73 -139.21 -94.50 122.30 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 52 F E E 60.12 12.65 25.02 37.43 121.89 -172.90 -116.67 136.99 1.26 98.74 0.00 0.71 0.23 0.07 0.00 0.00 0.00 98.97 0.01 53 G E E 21.06 9.63 25.95 36.81 111.85 5.45 88.81 87.44 20.43 79.55 0.01 4.55 11.78 2.08 0.00 0.01 0.00 81.54 0.04 54 A E E 5.62 25.31 15.19 40.36 125.23 161.74 -113.68 145.92 21.31 78.67 0.01 20.32 0.57 0.02 0.00 0.01 0.00 78.93 0.14 55 N E E 62.35 8.62 27.62 37.10 125.57 -165.62 -128.28 134.99 4.56 95.42 0.02 3.90 0.48 0.05 0.01 0.01 0.00 92.65 2.90 56 I E E 12.99 24.18 15.82 40.04 119.61 -164.36 -113.58 129.27 30.07 69.74 0.19 26.25 3.21 0.31 0.06 0.13 0.00 68.34 1.70 57 T C C 59.73 7.33 23.08 30.56 121.29 -151.34 -99.87 147.25 80.17 18.99 0.84 69.21 8.43 1.03 0.25 0.58 0.00 19.68 0.82 58 P C C 72.69 9.25 18.83 28.42 112.56 -91.56 -66.37 144.12 83.47 12.42 4.11 67.83 11.52 4.01 1.34 2.69 0.00 10.75 1.86 59 M C C 49.62 17.06 11.66 28.10 115.65 -139.28 -94.18 133.43 76.40 15.64 7.96 65.70 6.80 3.26 4.24 3.84 0.01 10.30 5.85 60 A C C 72.81 4.08 16.89 21.75 108.27 -143.63 -84.88 110.45 73.24 16.25 10.51 51.57 15.49 6.30 5.44 5.28 0.03 11.99 3.91 61 V C C 80.79 7.99 12.63 21.65 112.08 69.73 -94.34 116.56 61.30 24.70 14.00 38.43 14.13 9.23 6.90 7.31 0.19 16.43 7.38 62 A C C 58.49 8.52 10.23 19.63 109.66 -143.04 -91.46 111.07 69.81 16.60 13.59 40.10 14.96 15.72 5.19 8.19 0.09 11.43 4.32 63 S C C 81.23 2.96 12.38 16.48 104.91 -9.68 -84.57 4.02 82.87 5.14 11.99 30.90 23.58 29.57 3.64 7.58 0.03 2.94 1.76 64 T C T 91.68 3.87 11.85 17.07 104.25 43.14 -92.21 0.90 86.93 2.83 10.24 20.55 30.28 36.93 3.11 6.40 0.02 1.63 1.08 65 H C S 127.12 5.09 12.65 18.99 103.60 33.81 -88.78 18.46 76.93 15.72 7.35 24.48 29.25 25.16 2.14 4.70 0.06 11.45 2.76 66 V C C 69.44 9.62 12.60 23.30 115.40 104.93 -100.71 124.29 60.40 35.68 3.92 37.94 15.91 6.77 1.70 2.52 0.04 25.56 9.55 67 V C C 72.12 8.78 15.96 25.82 115.20 -155.84 -101.53 125.65 66.75 31.18 2.07 51.58 10.47 3.40 0.94 1.35 0.01 24.73 7.52 68 C C C 41.06 15.91 12.53 28.06 117.24 -161.79 -101.12 134.25 80.36 18.94 0.70 60.48 18.14 1.84 0.25 0.50 0.00 13.83 4.97 69 D C C 79.14 5.76 19.32 25.76 110.24 -134.64 -103.21 108.61 94.13 5.83 0.04 88.56 5.73 0.18 0.01 0.03 0.00 4.72 0.77 70 P C C 59.04 14.38 12.61 27.10 96.54 -159.84 -67.77 -17.80 90.84 8.18 0.98 50.19 21.96 18.52 0.12 1.06 0.00 7.45 0.72 71 T C E 86.28 5.58 17.90 24.28 103.68 62.22 -95.17 14.39 64.18 34.79 1.03 27.42 18.69 19.26 0.10 1.12 0.00 32.35 1.07 72 R E E 91.27 10.10 15.42 26.53 120.21 118.59 -100.42 140.59 46.09 53.69 0.22 33.61 12.17 0.74 0.04 0.21 0.00 51.84 1.39 73 T E E 77.09 9.05 17.41 27.43 118.60 -135.20 -101.97 133.50 25.20 74.75 0.05 23.92 1.03 0.08 0.02 0.03 0.00 74.26 0.65 74 R E E 55.35 16.16 16.27 32.50 130.05 -173.59 -130.30 146.48 6.36 93.62 0.02 6.01 0.30 0.02 0.01 0.01 0.00 93.24 0.41 75 K E E 103.60 8.65 22.71 31.80 115.35 -125.36 -89.85 131.95 4.51 95.45 0.03 4.43 0.16 0.02 0.01 0.01 0.00 95.06 0.30 76 L E E 9.44 24.06 16.15 40.40 119.14 -156.48 -106.51 131.16 10.70 89.15 0.15 9.94 0.66 0.09 0.06 0.06 0.00 88.83 0.37 77 L E E 53.74 11.47 24.94 36.58 113.95 -147.38 -93.63 126.19 16.24 83.62 0.14 13.82 2.41 0.23 0.06 0.08 0.00 82.34 1.07 78 L E E 10.20 23.55 14.25 37.72 125.55 -156.08 -113.64 143.81 35.31 64.59 0.09 32.06 3.22 0.12 0.05 0.05 0.00 62.93 1.57 79 N C C 64.71 5.52 21.80 27.39 120.39 -118.62 -77.39 161.30 70.20 29.69 0.10 69.32 1.14 0.06 0.07 0.03 0.00 28.61 0.77 80 Q H H 103.82 8.41 14.87 24.53 91.36 -106.79 -57.68 -38.48 1.79 0.00 98.20 0.32 0.25 1.04 97.59 0.79 0.00 0.00 0.00 81 R H H 161.17 1.20 19.80 19.32 91.68 52.45 -64.10 -40.41 0.80 0.00 99.20 0.12 0.07 0.51 98.47 0.83 0.00 0.00 0.00 82 E H H 54.66 12.59 17.18 30.23 92.22 48.50 -66.68 -39.55 0.44 0.00 99.55 0.09 0.04 0.25 98.65 0.96 0.00 0.00 0.00 83 L H H 10.03 22.87 13.70 36.35 91.36 52.02 -62.75 -42.78 0.33 0.00 99.67 0.06 0.02 0.18 99.42 0.32 0.00 0.00 0.00 84 D H H 83.64 3.79 21.70 25.64 91.37 50.68 -64.09 -40.21 1.20 0.00 98.80 0.11 0.05 0.93 98.57 0.34 0.00 0.00 0.00 85 S H H 56.49 3.67 21.96 25.35 92.08 50.15 -65.33 -40.89 3.18 0.00 96.82 0.19 0.16 2.64 96.28 0.73 0.00 0.00 0.00 86 L H H 7.47 22.85 15.76 38.60 92.20 49.90 -65.61 -41.15 3.55 0.02 96.43 0.34 0.23 2.68 95.02 1.71 0.00 0.01 0.00 87 Y H H 80.78 16.24 18.10 33.20 92.45 54.40 -63.21 -38.81 8.05 0.05 91.91 0.64 0.53 6.61 89.09 3.06 0.02 0.02 0.02 88 G H H 49.05 2.16 21.66 22.90 93.14 51.60 -65.54 -29.75 26.28 0.07 73.64 1.26 1.38 23.34 70.19 3.72 0.04 0.03 0.04 89 R H H 96.81 9.92 17.77 28.17 96.50 53.13 -87.44 -12.15 42.10 0.37 57.53 6.51 4.70 30.58 51.71 6.04 0.08 0.17 0.22 90 V C H 22.29 22.19 11.38 32.18 96.68 85.10 -70.18 -23.17 55.31 1.77 42.93 24.82 9.12 22.74 34.79 6.70 0.06 0.78 0.98 91 N C C 112.94 3.66 18.82 23.10 96.74 60.22 -87.14 0.77 74.47 0.79 24.74 34.65 9.43 30.55 17.15 7.39 0.00 0.38 0.46 92 R C S 121.74 6.90 14.43 22.80 115.61 99.68 -86.41 143.40 80.44 1.74 17.83 24.58 40.56 16.12 10.94 5.83 0.03 0.69 1.25 93 E C T 141.69 2.92 16.79 20.71 110.65 -96.45 -72.50 134.45 91.79 1.29 6.92 5.68 16.88 69.57 2.25 4.14 0.02 0.74 0.72 94 G C T 38.27 6.47 17.99 25.46 100.26 16.21 87.26 -2.87 96.22 1.90 1.88 12.27 15.47 68.51 0.33 1.49 0.00 1.68 0.25 95 Y E E 31.77 19.11 14.81 33.84 124.76 131.54 -105.55 149.16 42.61 57.33 0.06 39.13 2.19 0.16 0.01 0.05 0.00 57.99 0.48 96 T E E 32.22 12.49 26.37 39.38 123.77 -151.90 -116.48 138.82 2.95 97.05 0.00 2.82 0.09 0.00 0.00 0.00 0.00 97.00 0.08 97 V E E 2.78 26.60 21.07 48.38 120.13 -154.94 -112.59 128.94 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 98 V E E 20.71 16.20 28.42 44.63 118.01 -166.99 -116.39 123.37 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 99 A E E 6.50 23.71 21.37 45.25 110.14 -129.58 -74.45 125.35 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 100 L E E 37.55 14.65 24.31 39.04 101.71 174.00 -99.14 -33.15 0.81 99.19 0.00 0.55 0.14 0.00 0.00 0.00 0.00 99.30 0.00 101 S E E 28.00 10.15 26.76 38.22 142.47 -2.26 -158.54 152.68 0.20 99.80 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 102 L E E 14.21 24.90 16.48 41.31 125.14 -161.85 -130.12 130.70 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 103 Y E E 72.85 8.82 25.21 34.63 129.93 -174.41 -132.61 145.02 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 104 W E E 86.85 17.38 14.53 31.15 119.23 -147.90 -109.01 127.60 2.09 97.91 0.00 1.72 0.11 0.01 0.00 0.00 0.00 98.14 0.02 105 K E E 104.19 5.44 16.19 23.09 119.75 170.98 -133.09 121.78 14.72 85.17 0.11 9.74 3.87 1.00 0.01 0.11 0.00 84.96 0.30 106 N C T 133.17 1.31 16.90 17.66 96.18 -27.90 52.59 32.80 99.32 0.35 0.33 0.79 14.03 84.47 0.00 0.40 0.00 0.26 0.04 107 A C T 51.47 12.45 14.39 26.66 95.82 -43.38 68.78 12.19 99.62 0.15 0.22 0.79 11.68 87.11 0.00 0.29 0.00 0.12 0.01 108 W E E 83.70 10.61 20.53 32.08 127.02 101.93 -116.05 142.70 6.21 93.78 0.01 4.38 1.39 0.14 0.00 0.01 0.00 93.85 0.23 109 C E E 4.06 24.51 16.80 42.12 122.64 -155.20 -115.36 137.03 0.61 99.39 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.00 110 K E E 47.90 11.78 27.29 39.72 123.65 -164.31 -118.24 137.02 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 111 V E E 2.51 26.56 19.36 46.80 122.89 -165.69 -120.75 132.83 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 112 K E E 52.70 12.03 28.05 40.70 118.44 -160.50 -110.26 126.59 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 113 I E E 3.29 26.41 21.26 48.08 123.51 -169.02 -117.16 133.29 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 114 G E E 5.64 16.75 27.26 44.24 134.65 169.38 -129.78 159.89 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 115 V E E 11.84 22.23 21.80 43.89 124.27 -143.75 -120.09 135.68 0.68 99.32 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.35 0.02 116 A E E 16.48 16.06 20.02 36.30 132.28 -170.73 -126.83 154.61 9.89 90.11 0.00 9.90 0.14 0.01 0.00 0.00 0.00 89.56 0.39 117 K C C 111.21 8.45 21.08 29.70 112.39 -104.94 -76.74 135.01 97.68 2.31 0.00 97.89 0.06 0.01 0.00 0.00 0.00 2.01 0.03