NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 E 4.2749 8.4449 121.4702 55.0063 30.7970 175.5888 23 P 4.2641 0.0000 0.0000 61.9403 32.2403 175.2910 24 L 4.1840 8.6978 120.9444 54.2250 44.3722 177.7702 25 L 3.9257 8.6163 124.3956 58.7116 41.9461 179.8413 26 R 4.0010 7.9871 115.0865 59.3488 29.2889 178.5169 27 E 3.9391 8.0282 118.5879 59.0359 29.5723 178.9858 28 A 3.9838 8.0456 120.7982 55.1680 18.4220 179.6906 29 L 4.0100 8.3783 118.1415 57.8796 41.6322 180.1016 30 G 3.4972 8.2331 105.4533 47.7259 0.0000 175.6713 31 A 4.0008 8.1758 123.1122 54.6806 18.2507 179.6602 32 A 4.0254 8.1325 119.3650 55.3604 18.4132 179.7741 33 L 3.8631 8.1104 117.7865 57.8711 41.5816 179.7812 34 R 4.0298 8.2175 118.6285 59.5898 29.9781 178.6684 35 S 4.1578 8.3733 115.0920 61.8699 62.8164 176.8674 36 F 3.9722 8.8811 120.7311 60.3314 38.7171 177.7830 37 R 3.9110 8.5184 118.5376 59.2610 29.9216 178.3352 38 A 3.9880 8.3355 120.9030 55.5065 18.2049 179.3157 39 D 4.3003 8.0926 116.0972 57.2297 40.9633 178.5322 40 K 4.2929 7.8451 116.1204 55.8386 32.4179 177.1872 41 G 3.8709 7.7408 107.2136 46.4114 0.0000 173.6617 42 V 4.1459 7.4484 118.8390 61.2921 32.8676 176.4667 43 T 4.2491 8.1245 116.7188 61.0354 70.8806 175.6871 44 L 3.9308 8.3615 123.6011 58.6239 42.2216 179.6063 45 R 3.9456 7.9093 117.4809 58.9709 29.9690 178.4717 46 E 3.9053 8.3177 119.1926 59.3081 29.7459 178.6978 47 L 3.9222 7.9644 120.1394 57.9436 42.0908 178.6429 48 A 4.0004 8.3532 121.1728 55.2877 18.3767 179.2874 49 E 3.8672 8.3454 117.5543 59.3661 29.5040 178.8323 50 A 4.0634 8.1363 120.0862 54.8297 18.2452 178.8297 51 S 4.4262 8.1331 111.6793 57.8925 62.9975 174.8459 52 R 3.6930 7.9389 119.6018 57.3688 27.8602 175.9668 53 V 4.6005 7.7908 109.6402 58.8651 35.4377 176.1525 54 S 4.5631 8.3298 115.7744 57.4775 65.2419 173.4861 55 P 4.4397 0.0000 0.0000 65.8325 31.1562 179.0459 56 G 3.6071 8.0999 105.3288 47.8146 0.0000 174.8506 57 Y 4.5848 7.9287 123.0173 59.8870 38.7511 177.8557 58 L 3.7188 8.0176 121.2729 58.0666 42.2261 178.7877 59 S 4.0464 8.2847 113.2012 61.4933 61.9452 175.9094 60 E 3.9535 8.2503 121.1211 59.4451 29.1637 179.4104 61 L 3.8843 7.8947 119.0223 57.9419 41.4720 179.4489 62 E 4.0444 8.1771 117.2939 58.9290 29.3841 178.6801 63 R 4.4883 7.6641 115.4094 55.1687 30.3538 176.6214 64 G 3.9057 7.9250 106.4953 46.7124 0.0000 175.6458 65 R 4.1897 8.3212 120.3682 57.4291 30.4745 177.0807 66 K 4.7356 7.4825 115.3556 54.1357 36.1831 175.8510 67 E 3.9604 8.7229 121.1847 56.6330 29.9069 177.4360 68 V 4.0709 7.9837 122.8252 61.0584 31.3494 176.2445 69 S 4.3783 8.2072 122.5422 57.8741 65.0628 174.8846 70 S 4.1024 8.6095 119.1476 62.1405 62.6353 177.0771 71 E 3.9806 8.0637 120.5003 59.2102 29.2743 178.9880 72 L 3.9644 8.0827 120.4682 57.9262 42.1544 178.5687 73 L 3.8566 8.3848 120.5104 58.3014 41.9177 178.8942 74 A 3.9705 8.0631 120.5125 55.1337 18.2946 179.6312 75 S 4.0161 8.1614 111.7018 61.4680 62.4720 176.5812 76 V 3.6768 7.8685 122.3954 65.6845 31.2283 177.7329 77 C 4.0864 8.1904 116.5543 63.0586 28.0663 175.5930 78 H 4.0673 8.5564 119.7845 59.2841 29.2423 177.2221 79 A 4.0414 7.9394 121.4236 55.0422 18.3051 179.1790 80 L 4.1990 8.2634 116.4325 55.1916 41.7959 177.6566 81 G 3.8415 7.7011 106.0588 46.3749 0.0000 173.1494 82 A 4.8834 7.9701 121.7624 49.7293 21.3716 178.1184 83 S 4.4367 8.3903 116.6144 57.6781 65.3209 175.6060 84 V 3.4330 8.4168 124.2403 66.1964 31.2541 177.9766 85 A 3.9618 7.9878 119.7988 55.5045 18.2116 179.1928 86 D 4.3888 7.9564 116.9927 57.5000 40.7781 179.2461 87 V 3.0677 7.2865 118.6146 65.5923 31.3210 178.1360 88 L 3.9384 8.0441 118.9795 57.6888 41.4300 179.4573 89 I 3.6925 7.9029 119.8004 64.3701 37.0765 178.0355 90 E 3.9637 8.3274 119.8247 59.2740 29.2900 178.6015 91 A 4.0829 8.0750 119.5744 55.3171 18.6226 179.2150 92 A 4.1861 8.4608 119.6912 55.1631 18.5071 180.1441 93 G 3.5793 8.1901 104.7209 47.8126 0.0000 175.9833 94 S 4.3058 8.0062 115.2635 60.7927 63.2214 175.7383 95 M 4.2794 7.5518 121.3401 55.5593 32.2163 176.4151 96 A 3.9245 6.8625 120.5913 53.0341 18.8085 177.1064 97 L 4.3330 8.5785 122.4996 55.6082 42.9100 176.6125 98 Q 4.2095 7.9326 122.9714 56.0103 29.1115 174.7493 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 22 E 8.44 4.27 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 23 P 0.00 4.26 0.00 2.16 1.98 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 24 L 8.70 4.18 0.00 1.71 1.58 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.62 3.93 0.00 1.74 1.68 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.99 4.00 0.00 2.20 2.35 0.00 3.19 0.00 0.00 3.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 27 E 8.03 3.94 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 28 A 8.05 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.38 4.01 0.00 1.62 1.68 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.23 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.18 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.13 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.11 3.86 0.00 1.81 1.70 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.22 4.03 0.00 1.98 2.14 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 35 S 8.37 4.16 0.00 4.23 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.88 3.97 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.52 3.91 0.00 1.96 2.11 0.00 3.36 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 38 A 8.34 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.09 4.30 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.85 4.29 0.00 1.81 1.86 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 41 G 7.74 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.45 4.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.00 0.00 0.00 43 T 8.12 4.25 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 44 L 8.36 3.93 0.00 1.78 1.71 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.91 3.95 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 46 E 8.32 3.91 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 47 L 7.96 3.92 0.00 1.83 1.65 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.35 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.35 3.87 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 A 8.14 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.13 4.43 0.00 4.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.94 3.69 0.00 1.99 2.03 0.00 3.11 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 53 V 7.79 4.60 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.07 0.00 0.00 54 S 8.33 4.56 0.00 4.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.44 0.00 2.30 2.37 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 56 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.93 4.58 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.02 3.72 0.00 1.80 1.79 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.28 4.05 0.00 3.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.25 3.95 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 61 L 7.89 3.88 0.00 1.61 1.51 0.24 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.18 4.04 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 63 R 7.66 4.49 0.00 1.80 1.94 0.00 3.26 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 64 G 7.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.32 4.19 0.00 1.85 2.01 0.00 3.29 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 66 K 7.48 4.74 0.00 1.67 1.76 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.55 7.81 67 E 8.72 3.96 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 68 V 7.98 4.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 69 S 8.21 4.38 0.00 4.10 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.61 4.10 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.06 3.98 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 72 L 8.08 3.96 0.00 1.81 1.82 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.38 3.86 0.00 1.79 1.83 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.06 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.16 4.02 0.00 3.93 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.87 3.68 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.95 0.00 0.00 77 C 8.19 4.09 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.56 4.07 0.00 3.29 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.94 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.26 4.20 0.00 1.88 1.80 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.70 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.97 4.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.39 4.44 0.00 4.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.42 3.43 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.89 0.00 0.00 85 A 7.99 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.96 4.39 0.00 2.94 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.29 3.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 -0.10 0.00 0.00 88 L 8.04 3.94 0.00 1.86 1.68 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.90 3.69 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.95 0.00 0.00 90 E 8.33 3.96 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 91 A 8.08 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.46 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.19 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.01 4.31 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 M 7.55 4.28 0.00 1.96 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 96 A 6.86 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.58 4.33 0.00 1.64 1.73 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.93 4.21 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00