NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6044 8.2233 120.1889 54.4409 43.2813 177.6525 6 Q 3.9152 7.9219 117.9090 58.5322 28.6559 177.1462 7 Q 3.9273 8.3528 120.5612 58.7557 29.1455 177.6823 8 A 4.2040 7.9658 119.1369 53.6908 18.7905 178.0181 9 E 4.4141 7.5477 115.3338 57.9810 30.7584 178.2279 10 A 4.0890 8.2261 120.8135 54.7376 18.0849 179.7801 11 R 3.8829 7.8438 116.8164 59.6205 30.3375 178.4121 12 A 4.1539 7.9365 118.2873 54.3570 18.4625 178.9221 13 F 3.9720 7.8953 118.9973 59.3111 39.7315 175.1248 14 L 4.8199 7.1695 116.6442 53.8656 42.2105 177.2975 15 S 4.5661 8.3975 119.4808 57.5412 65.7859 174.5647 16 E 4.0612 8.6837 120.6308 59.6407 28.9944 179.2282 17 E 3.8861 8.0828 119.2026 59.4046 29.8538 178.3928 18 M 3.8055 7.9011 117.6650 58.6985 32.3944 177.7572 19 I 4.0414 7.9954 119.7883 64.6260 37.0435 178.1349 20 A 4.0464 7.8452 120.5258 55.2886 18.4292 179.0014 21 E 4.0041 7.6355 116.3684 59.4731 29.7427 179.0669 22 F 4.7958 8.0228 117.8346 60.3854 38.9679 177.5551 23 K 4.3884 8.7900 119.6048 59.1608 31.6811 178.7055 24 A 4.0378 7.7913 120.5634 55.3135 18.7748 179.3060 25 A 4.1937 8.2268 118.5866 54.9425 18.6641 179.5197 26 F 3.7510 8.0993 119.4606 61.2846 39.2552 177.1142 27 D 4.3467 8.1741 118.0056 56.2285 39.1122 178.2780 28 M 4.0839 7.3628 116.5847 58.5721 31.3612 178.5103 29 F 3.8865 7.9765 117.4786 58.9637 39.2225 175.3008 30 D 4.8225 7.8944 119.3232 53.5055 40.9802 178.0320 31 A 3.9641 7.8147 123.2952 54.8909 18.9629 178.9787 32 D 4.3552 7.8641 114.1568 55.1113 41.7819 176.7147 33 G 4.0642 7.3650 104.3908 45.3514 0.0000 172.6632 34 G 4.0020 8.2325 104.5768 44.3371 0.0000 175.8078 35 G 4.2494 8.7386 112.1659 45.0749 0.0000 170.8655 36 D 5.3093 7.8089 117.6493 53.0775 45.5747 174.6826 37 I 4.4835 9.1106 120.9496 60.2362 40.0822 175.0569 38 S 4.9478 8.1894 119.0973 56.6038 67.2865 175.3961 39 T 3.8786 8.5912 116.5587 66.7282 68.1254 177.1767 40 K 3.9676 7.9639 120.2617 60.2689 32.2906 178.8778 41 E 3.9940 8.2048 119.7400 58.5929 29.3374 178.9467 42 L 4.2860 7.9965 120.6303 58.3550 42.2714 179.2090 43 G 3.7545 7.9582 105.2119 48.2444 0.0000 175.6604 44 T 3.8821 7.7978 117.4032 66.5344 68.2478 177.0394 45 V 3.4337 7.5447 119.0915 65.8069 31.7599 177.8513 46 M 4.1889 8.1284 118.6682 58.5313 31.7590 178.9849 47 R 4.5490 8.2857 119.3362 58.4361 29.8862 178.9219 48 M 4.0024 7.3634 116.8865 58.2211 31.1713 177.4448 49 L 3.9933 7.5587 120.4794 56.8760 42.4843 176.3382 50 G 3.6323 7.0049 105.5324 45.0193 0.0000 173.2740 51 Q 4.4261 7.9755 121.9251 54.8410 30.3664 173.9653 52 N 4.7521 8.2498 122.1876 50.9900 38.5932 171.8550 53 P 4.6092 0.0000 0.0000 61.7954 33.2859 176.9590 54 T 4.5519 7.9468 108.6180 60.2286 71.8825 175.9197 55 K 3.9885 8.3626 122.3198 59.7574 32.2083 179.6520 56 E 4.0281 8.1202 117.3560 59.1574 29.3989 178.6619 57 E 3.9371 7.7854 120.0850 59.2298 29.6353 178.7972 58 L 4.0492 8.0612 119.0429 57.6364 41.7116 178.9267 59 D 4.3173 8.3027 118.0595 57.2585 41.1867 178.2054 60 A 4.0507 7.8638 121.5342 55.0343 17.8889 179.5982 61 I 3.6934 7.5120 118.5107 64.5518 37.0444 178.5515 62 I 3.7050 7.6139 120.6911 63.8714 36.8436 177.9846 63 E 4.0703 7.8076 118.7147 59.5730 29.3627 178.7541 64 E 4.0513 7.8334 117.7870 59.2224 29.7585 178.7589 65 V 3.7488 7.0678 117.3029 65.2348 32.8913 177.3328 66 D 4.9753 8.0778 121.4835 53.2766 36.3736 176.4704 67 E 3.9360 7.8011 122.6594 59.2402 30.6125 177.5992 68 D 4.3908 7.9679 117.2587 56.9477 41.7364 176.3138 69 G 4.1386 6.9680 107.8443 46.4032 0.0000 173.9934 70 S 4.2852 8.0255 115.3684 61.5943 63.6681 173.4527 71 G 4.1811 8.4073 111.0630 45.5548 0.0000 173.9179 72 T 4.6127 7.5871 108.8128 59.5356 71.9263 172.6941 73 I 4.4445 8.6686 122.1685 60.3980 39.2168 175.8330 74 D 5.1297 8.4961 125.6199 52.8166 43.9575 177.4174 75 F 3.4527 8.7872 120.1778 61.6410 39.2672 176.9329 76 E 3.7675 8.0590 117.3297 58.8009 29.1084 178.7567 77 E 3.8630 7.9532 119.5197 59.0253 29.8803 178.3158 78 F 4.1849 8.0890 120.8948 60.8781 39.3223 177.3271 79 L 3.2717 7.4489 118.9513 57.5324 41.4875 179.8247 80 V 3.3828 7.6590 119.1620 64.7936 30.9076 178.0659 81 M 3.8180 7.5047 118.2798 58.6403 32.2682 177.6387 82 M 3.7900 7.2139 118.0471 58.1489 32.0004 178.3577 83 V 3.0584 7.2870 118.2893 64.6175 31.6159 177.1087 84 R 4.5024 7.1632 113.4882 54.7791 29.6734 175.7668 85 Q 4.2724 7.0037 118.6874 54.7424 30.0759 175.2347 *95 E 4.4419 8.5800 121.8224 55.8562 31.4812 177.8812 96 E 4.0619 8.1675 121.4461 59.2014 29.1656 178.6697 97 E 3.9662 8.1998 119.0399 59.5407 29.8747 178.8813 98 L 4.3872 8.1649 118.1376 57.6598 41.7968 179.1447 99 A 4.6317 8.4539 121.1372 55.2245 18.2914 179.5022 100 N 4.3134 8.3852 115.0435 56.8654 38.7659 177.5146 101 C 4.0630 7.9524 118.0254 62.5213 27.9511 175.8857 102 F 3.3546 8.3528 121.9259 61.1790 38.7970 176.9571 103 R 4.0562 8.0062 119.4910 58.8289 29.6172 178.4538 104 I 3.5986 7.3670 118.9160 64.1944 37.0222 178.0662 105 F 4.6780 7.5120 117.8962 59.0660 39.6011 175.4074 106 D 4.5833 7.4263 119.3949 51.7937 38.0277 176.9971 107 K 4.1565 8.2505 125.8247 58.6869 32.4699 177.8647 108 N 4.3048 7.7564 115.4094 53.4487 39.6494 174.1229 109 A 3.7600 7.3150 119.0510 53.6941 16.0478 177.0008 110 D 4.6463 9.0152 120.5715 54.6720 43.1950 177.1747 111 G 3.0506 7.1467 110.3035 44.8887 0.0000 173.1988 112 F 5.3569 7.0888 117.1325 55.6440 43.4420 174.4333 113 I 4.2246 8.8810 122.0739 60.6736 38.6805 175.3162 114 D 4.9933 8.4957 125.8875 53.0419 42.9757 177.5177 115 I 3.6942 8.3808 120.4397 64.1782 37.5356 178.0562 116 E 3.9868 8.1265 118.1986 59.4049 29.3218 178.9140 117 E 3.8189 7.9882 119.0601 59.1306 29.6498 178.9163 118 L 4.1905 8.0526 120.5337 57.7798 42.1155 178.7387 119 G 3.9167 8.1960 105.9397 48.4389 0.0000 175.4476 120 E 4.0491 7.8056 121.1545 58.7239 29.2268 179.5544 121 I 3.7560 7.1580 117.8032 64.3641 37.0311 178.2067 122 L 4.1872 8.1030 119.7685 57.9926 41.5509 179.8350 123 R 3.9813 8.1507 117.7241 58.8931 29.7419 178.7878 124 A 4.0622 8.3853 120.3795 55.3132 18.3208 179.2383 125 T 3.9433 7.4419 110.6152 63.5779 67.4824 175.3568 126 G 3.9843 8.1562 108.4395 44.9616 0.0000 173.3514 127 E 4.2604 7.7216 118.2116 56.8707 30.3535 177.2460 128 H 4.5703 8.4229 119.1690 54.4795 27.2909 175.3543 129 V 4.1918 7.4815 121.3391 60.4027 33.6878 176.8932 130 I 4.5032 7.7918 114.7218 59.2484 40.9443 176.6435 131 E 4.0178 8.5963 120.4686 59.6188 29.4953 179.2195 132 E 4.1229 8.1383 119.2253 59.0953 29.5195 178.4945 133 D 4.3546 7.8701 117.6972 57.0124 41.3874 178.2868 134 I 3.6794 7.8212 120.3349 64.2553 37.1656 177.9789 135 E 3.8780 8.6309 120.4395 59.4837 29.5812 178.3653 136 D 4.3348 7.9078 117.6727 57.1128 41.1875 177.8933 137 L 3.9205 7.9561 121.0399 58.3485 42.0757 178.7334 138 M 4.0332 7.8967 118.1616 58.4163 31.9923 178.3351 139 K 4.0419 7.8800 117.9231 59.7402 32.7362 178.2851 140 D 4.5484 7.8374 118.9611 56.4077 41.1450 178.3593 141 S 4.5841 7.7968 114.5302 59.5141 62.4735 174.0831 142 D 5.0357 7.8255 121.5115 52.7973 39.7621 177.1701 143 K 4.2623 8.3164 125.1869 58.8769 32.2143 178.5731 144 N 4.5402 8.0370 113.5358 52.4904 39.5827 173.5947 145 N 4.1835 7.3168 117.8241 53.9075 36.8522 172.1189 146 D 4.6458 9.2754 120.0369 53.9641 43.4912 176.2061 147 G 4.0688 8.3308 109.0012 45.3983 0.0000 173.6072 148 R 4.7830 7.6528 116.4820 54.2675 33.6353 175.3932 149 I 4.6518 8.9133 121.3850 59.8960 39.4572 175.6130 150 D 5.8065 8.6594 126.0358 51.6842 42.1246 177.0954 151 F 2.9137 8.8082 119.8131 60.7912 39.2074 176.2941 152 D 4.5031 8.1447 118.4132 57.5425 40.6570 178.2258 153 E 3.9360 8.1379 119.0652 58.9796 29.7479 178.2853 154 F 4.0823 8.2761 121.1031 61.0772 39.0115 176.8736 155 L 3.6515 7.0889 118.0374 57.8125 41.5820 179.3026 156 K 3.9994 7.7360 117.6124 59.1670 32.2723 178.1034 157 M 4.0152 7.7646 118.5591 58.3583 32.2303 176.0135 158 M 4.0913 7.2988 121.4468 55.6065 32.5224 175.3277 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 5 D 8.22 4.60 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.92 3.92 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 7 Q 8.35 3.93 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 8 A 7.97 4.20 1.29 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 0.00 0.00 0.00 0.00 0.00 9 E 7.55 4.41 0.00 2.10 2.01 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 2.24 2.58 0.00 10 A 8.23 4.09 1.25 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 0.00 0.00 0.00 11 R 7.84 3.88 0.00 2.17 1.98 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 12 A 7.94 4.15 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 13 F 7.90 3.97 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.17 4.82 0.00 2.14 2.04 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.40 4.57 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.06 0.00 2.03 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 2.45 2.41 0.00 17 E 8.08 3.89 0.00 2.03 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 2.35 2.35 0.00 18 M 7.90 3.81 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.93 0.00 19 I 8.00 4.04 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 1.25 0.00 0.00 20 A 7.85 4.05 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 21 E 7.64 4.00 0.00 1.87 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 22 F 8.02 4.80 0.00 3.46 3.38 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 23 K 8.79 4.39 0.00 2.20 1.95 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 0.83 7.81 24 A 7.79 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.23 4.19 1.61 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 26 F 8.10 3.75 0.00 3.11 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.17 4.35 0.00 2.88 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.36 4.08 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 29 F 7.98 3.89 0.00 2.74 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.89 4.82 0.00 2.50 2.58 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 31 A 7.81 3.96 1.25 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 0.00 0.00 0.00 32 D 7.86 4.36 0.00 2.63 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.37 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 0.00 0.00 0.00 34 G 8.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.74 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 0.00 0.00 0.00 0.00 36 D 7.81 5.31 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.11 4.48 1.84 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.90 0.00 0.00 38 S 8.19 4.95 0.00 3.73 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 3.88 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 1.28 0.00 0.00 40 K 7.96 3.97 0.00 1.98 2.07 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 41 E 8.20 3.99 0.00 2.12 2.07 0.00 0.00 0.00 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 42 L 8.00 4.29 0.00 2.11 1.77 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.96 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.80 3.88 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 45 V 7.54 3.43 1.84 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 -0.22 0.00 0.00 0.92 0.00 0.00 46 M 8.13 4.19 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.71 0.00 47 R 8.29 4.55 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 48 M 7.36 4.00 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 49 L 7.56 3.99 0.00 1.58 1.82 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 4.43 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 52 N 8.25 4.75 0.00 2.66 2.67 0.00 0.00 7.08 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.61 0.00 2.24 2.08 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 54 T 7.95 4.55 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 1.22 0.00 0.00 55 K 8.36 3.99 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.50 7.81 56 E 8.12 4.03 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 57 E 7.79 3.94 0.00 2.18 1.99 0.00 0.00 0.00 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 2.35 0.00 58 L 8.06 4.05 0.00 1.93 1.72 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.30 4.32 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.05 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 61 I 7.51 3.69 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.90 0.00 0.00 62 I 7.61 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 1.02 0.00 0.00 63 E 7.81 4.07 0.00 2.19 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 2.35 2.33 0.00 64 E 7.83 4.05 0.00 1.97 1.96 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 2.31 2.30 0.00 65 V 7.07 3.75 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 66 D 8.08 4.98 0.00 2.89 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 67 E 7.80 3.94 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 68 D 7.97 4.39 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 6.97 4.14 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 0.00 0.00 0.00 70 S 8.03 4.29 0.00 3.85 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 71 G 8.41 4.18 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 0.00 0.00 0.00 72 T 7.59 4.61 4.50 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 1.23 0.00 0.00 73 I 8.67 4.44 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 1.01 0.00 0.00 74 D 8.50 5.13 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 3.45 0.00 2.57 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.77 0.00 1.99 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 2.36 2.37 0.00 77 E 7.95 3.86 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 78 F 8.09 4.18 0.00 3.38 3.12 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 0.00 0.00 0.00 79 L 7.45 3.27 0.00 1.57 1.37 0.50 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.66 3.38 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.82 0.00 0.00 81 M 7.50 3.82 0.00 1.84 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 82 M 7.21 3.79 0.00 1.39 1.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.78 0.00 83 V 7.29 3.06 1.87 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 0.67 0.00 0.00 0.57 0.00 0.00 84 R 7.16 4.50 0.00 1.89 1.85 0.00 3.02 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 85 Q 7.00 4.27 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 *95 E 8.58 4.44 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 96 E 8.17 4.06 0.00 2.02 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 2.40 2.35 0.00 97 E 8.20 3.97 0.00 2.08 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 2.43 2.44 0.00 98 L 8.16 4.39 0.00 2.18 2.09 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.45 4.63 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.39 4.31 0.00 3.10 2.90 0.00 0.00 7.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 C 7.95 4.06 0.00 3.40 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.35 3.35 0.00 2.29 3.25 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 0.00 103 R 8.01 4.06 0.00 2.10 1.85 0.00 3.19 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 104 I 7.37 3.60 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.64 0.00 0.00 105 F 7.51 4.68 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.43 4.58 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.25 4.16 0.00 1.93 1.89 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.42 7.81 108 N 7.76 4.30 0.00 2.87 2.91 0.00 0.00 7.24 7.84 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 0.00 109 A 7.32 3.76 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 0.00 110 D 9.02 4.65 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.15 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.09 5.36 0.00 2.92 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 0.00 113 I 8.88 4.22 1.84 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.24 0.85 0.00 0.00 114 D 8.50 4.99 0.00 2.61 2.58 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 0.00 115 I 8.38 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.34 0.91 0.00 0.00 116 E 8.13 3.99 0.00 2.24 2.20 0.00 0.00 0.00 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 2.41 0.00 117 E 7.99 3.82 0.00 2.21 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 0.00 2.40 2.30 0.00 118 L 8.05 4.19 0.00 1.74 1.63 0.69 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.20 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 0.00 0.00 0.00 120 E 7.81 4.05 0.00 1.89 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 2.33 2.35 0.00 121 I 7.16 3.76 2.10 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.64 1.11 0.00 0.00 122 L 8.10 4.19 0.00 1.86 1.72 0.92 0.82 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 0.00 123 R 8.15 3.98 0.00 2.11 1.98 0.00 3.13 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 124 A 8.39 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.44 3.94 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 126 G 8.16 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 7.72 4.26 0.00 2.00 1.94 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 2.34 2.35 0.00 128 H 8.42 4.57 0.00 3.16 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.48 4.19 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 130 I 7.79 4.50 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.86 0.91 0.00 0.00 131 E 8.60 4.02 0.00 2.21 2.25 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 2.35 2.39 0.00 132 E 8.14 4.12 0.00 2.03 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 0.00 2.40 2.36 0.00 133 D 7.87 4.35 0.00 2.74 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.82 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.90 0.00 0.00 135 E 8.63 3.88 0.00 2.06 1.94 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 2.30 2.31 0.00 136 D 7.91 4.33 0.00 2.92 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.96 3.92 0.00 1.99 1.78 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 M 7.90 4.03 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 139 K 7.88 4.04 0.00 1.97 1.93 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.47 7.81 140 D 7.84 4.55 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.80 4.58 0.00 3.92 3.90 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 0.00 0.00 0.00 0.00 142 D 7.83 5.04 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.32 4.26 0.00 1.63 1.86 0.00 1.56 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 144 N 8.04 4.54 0.00 2.66 2.84 0.00 0.00 6.81 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 7.32 4.18 0.00 3.02 2.81 0.00 0.00 6.94 8.35 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 0.00 146 D 9.28 4.65 0.00 2.57 2.58 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 0.00 147 G 8.33 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.65 4.78 0.00 1.67 2.08 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 149 I 8.91 4.65 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 1.16 0.00 0.00 150 D 8.66 5.81 0.00 2.96 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.81 2.91 0.00 2.18 2.91 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 0.00 152 D 8.14 4.50 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.14 3.94 0.00 2.07 1.99 0.00 0.00 0.00 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 2.36 0.00 154 F 8.28 4.08 0.00 3.36 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.09 3.65 0.00 1.59 1.62 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.74 4.00 0.00 1.69 1.77 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 157 M 7.76 4.02 0.00 1.80 2.17 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 158 M 7.30 4.09 0.00 1.70 1.16 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.