# 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 V C C 34.68 19.71 14.85 33.71 120.93 -163.44 -108.39 132.11 98.90 1.10 0.01 99.04 0.06 0.01 0.00 0.00 0.00 0.87 0.02 1 K E E 118.35 5.06 21.71 27.72 119.19 -154.95 -107.35 130.59 46.20 53.36 0.44 45.35 0.48 0.36 0.14 0.23 0.00 52.05 1.39 2 L E E 46.23 19.85 12.37 31.21 118.99 -149.49 -99.49 132.56 30.29 68.46 1.24 27.27 1.81 0.68 0.37 0.76 0.00 68.15 0.96 3 V E E 66.40 8.24 20.56 29.57 122.79 -166.31 -116.78 136.02 23.09 75.49 1.42 20.29 2.01 0.71 0.48 0.79 0.00 74.59 1.12 4 E E E 93.22 12.95 16.57 29.45 116.75 -131.64 -88.92 134.20 33.30 64.28 2.42 27.09 4.50 1.87 0.61 1.72 0.00 63.08 1.12 5 S C C 47.34 12.22 16.93 29.18 105.39 -172.21 -97.88 -1.49 64.92 32.08 3.00 46.65 11.76 5.67 0.58 2.52 0.00 31.72 1.10 6 G C C 40.93 8.04 18.57 26.99 109.67 -106.69 89.11 2.21 77.26 20.90 1.84 38.89 27.17 11.53 0.25 1.67 0.00 19.32 1.17 7 G C C 33.63 11.97 17.40 28.97 119.70 88.51 124.45 2.80 77.27 21.53 1.20 41.73 27.81 8.08 0.15 1.16 0.00 19.90 1.18 8 G C E 30.43 10.35 19.40 29.78 120.46 -112.89 106.59 -174.16 56.97 42.75 0.28 35.86 19.53 2.21 0.03 0.31 0.00 41.22 0.84 9 L E E 78.35 11.72 20.48 31.98 119.96 -50.85 -102.34 135.06 17.88 82.03 0.09 14.74 3.09 0.27 0.02 0.09 0.00 80.71 1.09 10 V E E 21.42 19.93 14.74 34.45 125.06 -168.33 -118.69 137.83 6.53 93.44 0.02 6.09 0.47 0.01 0.02 0.01 0.00 81.43 11.96 11 K C C 111.13 4.81 22.87 28.06 120.22 -126.98 -84.36 150.01 89.78 10.20 0.02 89.77 0.49 0.04 0.00 0.01 0.00 9.24 0.45 12 P C T 72.46 11.70 14.54 26.71 110.05 -84.63 -58.91 137.09 99.14 0.68 0.17 0.32 2.54 96.48 0.01 0.14 0.00 0.45 0.06 13 G C T 51.57 3.07 19.11 22.71 96.43 21.99 87.17 -5.92 99.25 0.60 0.15 0.53 3.16 95.68 0.00 0.13 0.00 0.46 0.03 14 G C C 23.01 9.39 15.74 26.53 128.36 115.86 -89.36 172.59 85.67 14.28 0.05 72.63 12.65 0.22 0.00 0.06 0.00 13.71 0.74 15 S E E 55.05 9.28 20.30 30.57 132.78 -130.57 -130.69 154.37 29.14 70.85 0.02 29.22 0.46 0.03 0.00 0.01 0.00 69.15 1.13 16 L E E 16.10 22.85 15.70 38.31 125.19 -155.57 -121.77 138.66 2.81 97.19 0.00 2.63 0.08 0.00 0.00 0.00 0.00 97.16 0.12 17 K E E 108.20 7.12 24.97 32.93 118.46 -153.58 -110.30 128.29 1.35 98.64 0.00 1.23 0.05 0.00 0.00 0.00 0.00 98.65 0.05 18 L E E 8.78 25.09 16.16 41.43 124.72 -170.29 -118.29 138.57 4.53 95.46 0.01 4.11 0.24 0.02 0.00 0.01 0.00 95.45 0.17 19 S E E 42.93 9.47 26.57 36.43 129.25 -166.32 -119.98 147.99 17.55 82.39 0.06 16.04 0.91 0.09 0.01 0.03 0.00 82.71 0.22 20 C E E 7.79 24.69 16.88 41.53 134.96 -173.56 -141.87 150.16 22.23 77.58 0.20 20.34 1.30 0.19 0.07 0.10 0.00 77.37 0.62 21 A E E 40.37 9.76 26.96 37.25 123.45 -150.86 -115.26 140.67 13.94 85.73 0.32 12.44 1.27 0.26 0.18 0.17 0.00 81.92 3.75 22 A E E 8.74 24.20 15.10 39.13 125.09 -166.85 -125.35 137.87 37.69 61.56 0.75 34.03 2.74 0.69 0.26 0.53 0.00 58.60 3.16 23 S C C 60.86 6.71 21.83 29.06 124.53 -162.25 -113.27 144.38 66.03 32.72 1.25 36.60 19.76 11.68 0.16 1.27 0.00 29.08 1.45 24 G C S 46.43 4.32 20.61 25.57 103.82 16.79 86.79 -5.86 82.32 15.99 1.69 21.54 42.99 18.33 0.17 1.66 0.00 13.83 1.49 25 F C C 70.82 16.31 13.93 29.60 116.62 120.10 -95.59 131.62 81.81 15.48 2.71 55.31 18.34 7.98 0.48 2.68 0.00 11.82 3.39 26 A C C 52.98 9.26 18.65 28.44 108.41 -165.42 -102.08 55.77 84.22 13.26 2.51 53.75 20.25 10.14 0.44 2.47 0.00 9.33 3.62 27 F C C 85.50 12.87 15.69 28.59 108.41 -116.04 -97.20 92.10 84.07 12.65 3.28 44.30 27.30 13.22 0.51 3.03 0.00 8.46 3.18 28 S C S 56.56 8.61 17.41 26.66 109.36 73.22 -102.42 56.77 86.64 11.32 2.04 35.83 38.24 13.08 0.25 2.01 0.00 9.05 1.54 29 T C C 77.70 6.70 19.95 27.13 107.42 25.92 -101.79 31.66 77.93 20.05 2.03 40.07 27.52 10.61 0.23 2.00 0.00 18.21 1.37 30 Y E E 33.36 19.86 15.41 34.80 128.34 122.48 -119.34 150.20 49.24 50.36 0.40 36.26 11.65 1.39 0.07 0.40 0.00 49.08 1.15 31 D E E 44.68 11.24 25.87 37.52 123.90 -140.85 -108.84 142.43 14.95 84.99 0.06 13.42 1.09 0.14 0.01 0.05 0.00 84.90 0.39 32 M E E 4.09 26.31 19.16 46.01 127.08 -165.11 -125.07 142.25 2.08 97.91 0.00 1.91 0.09 0.01 0.00 0.00 0.00 97.93 0.06 33 S E E 13.90 16.29 27.82 44.19 134.21 -175.61 -134.80 152.59 0.55 99.45 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.48 0.01 34 W E E 6.24 25.16 22.77 47.95 126.17 -154.00 -120.23 139.18 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.00 35 V E E 13.49 18.18 25.29 43.29 129.11 -170.52 -126.28 142.71 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 36 R E E 32.05 18.80 21.79 40.03 123.53 -159.83 -114.93 135.73 0.83 99.17 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.21 0.03 37 Q E E 48.18 12.58 19.09 32.63 115.49 -144.48 -99.88 127.09 6.26 93.73 0.01 5.59 0.35 0.02 0.00 0.00 0.00 93.82 0.22 38 T C C 25.95 11.57 13.58 26.87 124.58 -149.70 -91.86 166.12 70.96 28.97 0.07 67.78 1.74 0.19 0.01 0.05 0.00 29.70 0.52 39 P C T 96.77 4.53 13.00 19.05 92.13 -98.46 -62.05 -25.73 94.96 0.76 4.28 2.14 10.59 81.32 0.12 5.11 0.00 0.54 0.18 40 E C T 146.26 1.14 12.90 13.65 95.05 51.25 -87.31 1.14 96.04 0.18 3.78 2.22 9.52 83.51 0.14 4.42 0.00 0.11 0.08 41 K C T 127.65 6.35 12.23 20.03 97.00 -105.18 68.32 23.51 92.54 2.40 5.06 17.10 34.25 40.68 0.26 5.62 0.00 1.57 0.52 42 R C C 122.69 4.29 17.11 22.49 119.31 145.24 -92.57 146.72 61.16 38.58 0.26 50.72 6.67 2.00 0.05 0.25 0.00 39.14 1.18 43 L E E 39.52 19.82 12.54 31.57 115.13 -115.49 -83.77 131.87 15.39 84.59 0.02 14.02 0.59 0.05 0.00 0.01 0.00 85.18 0.14 44 E E E 72.79 9.37 22.32 32.19 127.64 -171.87 -124.35 140.34 1.43 98.56 0.00 1.18 0.09 0.01 0.00 0.00 0.00 98.71 0.02 45 W E E 83.12 16.78 19.09 35.31 110.53 -114.65 -74.24 127.07 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 46 V E E 14.79 19.37 21.41 40.96 101.36 175.58 -98.91 -31.59 1.72 98.28 0.00 1.06 0.44 0.01 0.00 0.00 0.00 98.48 0.00 47 A E E 5.29 20.82 22.08 43.16 142.37 -3.51 -157.11 153.68 0.31 99.69 0.00 0.24 0.02 0.00 0.00 0.00 0.00 99.74 0.00 48 T E E 30.99 16.46 23.94 39.93 129.50 -163.43 -132.73 140.61 0.53 99.47 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 49 I E E 18.85 19.35 19.23 38.66 119.35 -156.49 -112.98 126.98 6.22 93.74 0.04 5.12 0.85 0.09 0.01 0.02 0.00 93.58 0.33 50 S E E 35.19 11.69 18.65 30.83 128.32 158.93 -118.48 161.15 48.55 50.75 0.70 35.91 9.84 3.08 0.10 0.68 0.00 49.40 0.98 51 G C T 45.73 8.06 15.91 24.66 100.67 -90.37 -70.88 1.52 87.24 9.18 3.58 10.18 25.89 51.34 0.23 3.65 0.00 7.56 1.13 52 G C T 55.53 2.92 16.31 19.67 101.08 13.99 -77.22 4.26 93.87 1.70 4.43 5.97 24.96 62.48 0.25 4.71 0.00 1.13 0.50 53 G C S 39.57 7.51 13.61 22.10 110.20 -89.09 93.89 -21.39 89.69 6.50 3.81 16.96 47.00 25.83 0.29 3.87 0.00 4.80 1.25 54 S C C 73.24 4.32 16.51 21.94 112.46 73.51 -100.69 117.35 75.73 23.21 1.06 47.15 21.76 6.76 0.17 1.09 0.00 21.28 1.79 55 Y E E 104.64 12.00 14.87 27.12 126.80 -152.72 -124.96 143.36 49.56 49.96 0.49 39.19 8.67 1.53 0.10 0.45 0.00 48.40 1.66 56 T E E 55.15 12.41 17.18 29.96 125.46 -167.24 -120.87 139.82 23.03 76.68 0.29 19.31 3.50 0.66 0.08 0.22 0.00 74.21 2.02 57 Y E E 95.98 12.17 19.13 31.41 123.85 -160.74 -117.44 135.18 21.48 78.24 0.28 17.19 3.93 0.63 0.14 0.20 0.00 71.49 6.43 58 Y C C 65.22 16.60 15.60 31.81 121.09 -156.88 -109.25 133.98 72.14 27.74 0.12 65.71 4.84 0.32 0.03 0.09 0.00 27.73 1.28 59 P C C 37.00 12.47 15.01 28.57 113.57 -108.23 -66.20 149.85 88.12 9.80 2.07 76.41 8.14 3.28 0.69 1.36 0.00 8.52 1.58 60 D C T 112.35 2.90 15.98 20.29 92.40 -117.48 -62.08 -28.90 58.20 1.33 40.48 7.33 13.19 38.50 5.43 34.06 0.02 0.74 0.73 61 I C T 95.50 6.38 16.70 24.17 91.97 62.93 -71.23 -20.33 57.56 1.20 41.24 3.96 9.31 44.02 5.01 36.29 0.03 0.72 0.65 62 V C T 16.09 20.55 10.75 31.01 98.41 46.25 -99.99 0.67 54.28 4.52 41.20 7.16 10.65 37.24 5.60 34.43 0.14 2.99 1.80 63 K C T 125.57 6.47 14.65 23.57 110.04 124.08 -62.23 129.52 88.43 5.03 6.54 5.13 6.27 77.17 2.49 3.38 0.03 2.59 2.94 64 G C T 60.54 1.55 18.40 19.35 95.02 14.03 81.11 -3.83 94.51 0.71 4.78 1.98 6.59 86.42 0.90 3.37 0.00 0.50 0.25 65 R C T 82.39 12.63 17.02 29.84 100.83 73.60 -98.51 -24.33 93.96 2.37 3.66 6.60 23.47 64.10 0.51 2.82 0.00 2.14 0.35 66 F E E 8.81 24.04 13.19 37.60 134.51 30.31 -138.70 149.58 16.74 83.10 0.16 12.17 4.47 0.52 0.05 0.12 0.00 80.69 1.98 67 T E E 57.34 7.28 26.50 34.41 127.94 -164.03 -125.87 144.37 2.83 97.16 0.01 2.63 0.13 0.01 0.00 0.00 0.00 97.11 0.11 68 I E E 20.49 24.09 15.24 39.06 122.82 -158.89 -118.99 131.58 1.84 98.15 0.00 1.81 0.04 0.00 0.00 0.00 0.00 98.11 0.03 69 S E E 45.37 7.27 25.27 32.96 133.71 -177.44 -135.09 152.31 1.88 98.12 0.00 1.71 0.06 0.00 0.00 0.00 0.00 98.19 0.03 70 R E E 86.34 17.59 14.18 31.00 122.13 -147.20 -115.35 133.76 2.95 97.03 0.01 2.56 0.24 0.02 0.00 0.01 0.00 97.03 0.14 71 D E E 53.10 7.82 16.04 25.69 109.30 -155.92 -104.98 107.48 16.07 83.87 0.06 15.31 0.64 0.09 0.02 0.03 0.00 83.02 0.90 72 N C T 101.30 6.28 13.17 21.51 93.61 -165.35 -68.11 -26.97 89.41 0.39 10.20 1.10 4.57 81.96 0.20 11.84 0.00 0.24 0.10 73 A C T 88.08 1.22 15.23 15.93 92.81 57.03 -69.02 -34.91 89.15 0.34 10.51 0.58 3.90 83.37 0.19 11.66 0.00 0.18 0.11 74 R C T 123.25 4.89 15.74 21.47 97.64 31.98 -96.21 -3.10 91.73 0.13 8.14 0.94 4.60 84.43 0.16 9.75 0.00 0.07 0.05 75 N C T 58.27 12.75 15.64 29.37 95.35 -128.15 56.04 43.24 99.64 0.15 0.22 4.39 3.92 91.38 0.03 0.16 0.00 0.11 0.02 76 T E E 27.96 12.05 21.53 34.80 133.04 125.29 -132.34 151.73 7.18 92.81 0.01 6.29 0.63 0.04 0.00 0.00 0.00 92.18 0.85 77 L E E 5.85 24.35 18.82 43.69 120.71 -149.10 -112.36 132.92 1.12 98.88 0.00 1.08 0.02 0.00 0.00 0.00 0.00 98.85 0.05 78 Y E E 46.15 13.30 26.73 40.49 123.09 -164.80 -116.35 135.22 1.44 98.56 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.64 0.00 79 L E E 3.16 26.04 20.09 46.86 120.07 -162.30 -111.56 129.26 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 80 Q E E 55.22 11.50 27.37 39.29 119.81 -162.98 -112.59 127.87 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 81 M E E 8.13 24.55 17.19 42.06 120.54 -169.02 -114.72 128.76 11.56 88.44 0.00 11.66 0.09 0.00 0.00 0.00 0.00 87.67 0.57 82 S C C 43.00 8.45 22.84 31.61 125.29 -158.47 -103.45 159.19 94.11 5.81 0.08 46.12 40.41 6.52 0.00 0.14 0.00 6.55 0.26 83 S C S 65.14 4.98 24.24 29.47 96.04 11.70 58.60 51.24 98.68 1.27 0.04 12.19 78.53 7.96 0.00 0.06 0.00 1.11 0.15 84 L C C 16.08 24.22 10.62 34.57 114.82 -155.10 -73.42 137.65 98.44 1.54 0.01 97.77 0.98 0.02 0.00 0.00 0.00 0.53 0.69 85 R C C 104.08 4.69 23.94 28.63 131.00 -172.63 -122.64 161.39 99.04 0.93 0.03 98.76 0.41 0.01 0.01 0.01 0.00 0.18 0.62 86 S H G 63.00 11.21 15.82 27.41 90.87 -100.07 -59.79 -31.60 5.03 0.04 94.93 0.30 0.37 3.15 0.35 95.80 0.00 0.02 0.00 87 E H G 120.52 4.23 21.41 26.34 90.09 62.69 -71.41 -16.42 4.17 0.05 95.78 0.19 0.28 2.73 0.35 96.41 0.00 0.04 0.00 88 D H G 11.18 21.88 16.02 38.18 94.34 65.18 -85.60 -1.03 5.82 0.08 94.10 1.24 0.74 1.98 0.50 95.47 0.00 0.06 0.00 89 T C C 34.45 16.46 21.55 37.93 115.81 108.39 -80.94 134.62 91.38 8.15 0.47 87.65 3.76 0.31 0.08 0.35 0.00 7.22 0.63 90 A E E 11.13 18.84 23.51 41.67 144.23 149.06 -158.62 170.77 7.57 92.37 0.07 7.10 0.57 0.07 0.03 0.03 0.00 91.30 0.90 91 L E E 35.84 16.28 25.91 41.80 118.46 -102.61 -98.93 134.17 1.60 98.38 0.02 1.52 0.09 0.01 0.00 0.01 0.00 98.29 0.08 92 Y E E 6.75 25.14 21.67 46.79 123.36 -161.45 -113.26 136.53 1.55 98.42 0.03 1.39 0.11 0.02 0.01 0.01 0.00 98.39 0.06 93 F E E 24.89 18.56 27.40 45.15 127.62 -169.13 -121.94 142.23 3.95 95.90 0.15 3.32 0.40 0.10 0.04 0.06 0.00 95.91 0.17 94 C E E 3.84 24.73 22.69 47.14 126.76 -168.14 -124.15 141.56 13.60 85.65 0.75 11.12 1.86 0.49 0.29 0.30 0.00 85.41 0.53 95 V E E 15.62 17.66 25.10 42.63 126.70 -159.87 -119.60 141.22 19.05 79.00 1.95 16.06 2.37 0.95 0.90 0.82 0.00 77.87 1.03 96 R E E 42.68 18.70 20.42 38.46 121.49 -156.84 -113.48 135.60 26.17 70.64 3.20 20.84 4.77 2.11 1.52 1.51 0.01 67.42 1.82 97 Q E E 62.33 11.66 19.89 32.00 120.19 -151.86 -108.62 132.48 37.80 59.05 3.14 29.51 6.89 2.87 1.18 1.74 0.01 56.24 1.57 98 Y C C 96.19 11.12 14.77 26.69 115.43 -145.72 -97.16 128.38 55.00 41.62 3.38 39.46 11.18 5.42 0.98 2.29 0.01 38.63 2.02 99 Y C C 130.20 6.82 12.88 21.05 112.48 -156.66 -97.74 119.37 73.97 21.85 4.18 35.04 20.13 20.35 0.85 3.19 0.02 18.27 2.14 100 G C T 54.19 2.56 12.78 16.35 112.31 6.39 93.22 -142.58 88.95 6.98 4.07 27.23 29.92 32.37 0.58 3.56 0.00 5.00 1.33 101 S C S 84.47 2.91 11.31 15.58 109.33 -29.72 -91.70 95.77 90.87 4.16 4.98 28.98 32.28 29.96 0.75 4.30 0.00 2.49 1.24 102 S C S 76.78 3.86 11.41 16.91 107.89 81.30 -91.78 89.33 87.36 6.25 6.39 29.01 32.25 26.94 1.07 5.15 0.01 3.83 1.75 103 N C C 101.24 5.61 13.18 20.17 106.83 -129.10 -88.91 62.11 80.95 11.65 7.40 34.12 25.73 22.65 1.32 5.83 0.02 7.91 2.42 104 Y C C 114.40 9.52 14.18 24.38 111.92 121.53 -97.37 111.83 72.31 19.77 7.91 38.23 17.78 17.94 1.78 6.04 0.03 14.79 3.40 105 G C C 26.87 12.02 16.56 28.79 119.08 -156.45 -108.75 155.95 67.13 26.55 6.31 37.11 17.72 14.16 1.39 4.78 0.03 22.11 2.71 106 M C E 59.14 15.08 17.41 32.18 121.83 -133.53 -110.11 137.95 51.64 42.33 6.03 33.73 12.26 7.91 1.83 4.20 0.04 36.59 3.44 107 D E E 49.37 14.40 20.14 34.28 116.28 -140.39 -97.26 131.33 43.45 51.18 5.37 31.19 8.96 5.62 1.74 3.43 0.02 46.60 2.43 108 Y E E 70.39 16.44 20.02 35.70 119.20 -161.60 -109.27 131.48 33.19 62.48 4.33 24.04 6.44 4.33 2.04 2.60 0.03 55.18 5.32 109 W E E 63.34 17.62 18.78 35.51 113.90 -164.66 -102.48 122.14 46.49 50.27 3.24 31.38 9.23 7.66 1.42 2.04 0.04 41.74 6.51 110 G C C 21.32 14.21 19.31 32.83 123.60 -145.21 -52.59 -168.14 77.77 20.49 1.74 39.95 24.78 13.85 0.32 1.50 0.00 17.65 1.94 111 Q C S 108.27 7.67 20.76 28.61 101.39 -48.14 -80.79 41.35 81.62 16.29 2.09 26.94 36.50 19.01 0.31 1.77 0.01 13.58 1.88 112 G C C 25.79 13.06 18.43 31.08 117.78 -108.31 91.49 173.62 77.46 21.78 0.76 39.24 27.36 10.76 0.09 0.80 0.00 20.74 1.02 113 T E E 31.46 18.43 17.57 35.18 120.04 -100.14 -104.35 135.73 35.21 64.64 0.15 30.22 3.89 0.48 0.03 0.13 0.00 64.30 0.94 114 S E E 52.88 10.08 23.20 33.28 121.19 -149.58 -106.43 135.48 6.24 93.72 0.04 5.49 0.61 0.09 0.01 0.03 0.00 93.46 0.32 115 V E E 21.15 21.68 15.67 36.85 122.75 -167.11 -118.29 132.98 3.44 96.55 0.01 3.28 0.18 0.03 0.00 0.01 0.00 96.35 0.16 116 T E E 65.75 7.12 22.91 30.50 121.43 -161.04 -110.32 136.15 5.63 94.35 0.02 5.36 0.25 0.03 0.01 0.01 0.00 93.91 0.43 117 V E E 34.64 19.09 12.09 30.45 118.89 -158.69 -107.83 130.19 29.74 70.20 0.06 28.87 0.51 0.10 0.02 0.03 0.00 69.23 1.23 118 S C C 63.49 5.45 19.13 25.24 119.51 -161.88 -101.43 150.05 99.47 0.52 0.01 99.51 0.06 0.01 0.00 0.00 0.00 0.40 0.01