NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5107 8.3044 120.3254 55.7986 33.5293 173.9617 2 S 4.4230 8.3466 112.7443 57.9698 68.0987 173.0565 3 D 4.5950 8.5994 118.9670 52.2571 41.1260 174.9273 4 N 4.3491 8.4192 117.5465 53.0521 38.3400 175.4645 5 N 4.5552 8.6836 122.1700 55.3993 38.2607 175.4683 6 G 3.7190 7.2996 114.3378 45.5554 0.0000 170.8375 7 T 4.4143 7.9023 119.3746 59.3727 68.7618 172.6523 8 P 4.4019 0.0000 0.0000 62.2495 31.9742 176.2051 9 E 4.2542 8.7399 123.4534 54.9057 30.0311 174.9004 10 P 4.4336 0.0000 0.0000 62.7003 32.1094 175.6843 11 Q 4.5938 8.4821 120.0084 53.9547 31.8975 174.7566 12 V 4.3055 8.1908 121.4931 61.1067 33.0788 174.2810 13 E 4.6374 8.3902 125.8224 55.7632 32.2316 173.8116 14 T 4.3463 8.2094 120.3934 61.7345 70.8510 174.0684 *16 S 3.9738 8.1614 115.7241 58.0815 63.0369 172.8092 17 V 3.9182 8.0115 127.2647 62.4020 32.0528 175.2275 18 F 4.3545 8.9682 127.5613 57.3857 39.7373 176.0140 19 R 4.6374 8.8569 122.4482 54.1723 30.6094 174.7763 20 A 4.8408 8.4388 125.2906 50.3109 22.0543 176.5672 21 D 4.7013 8.3881 117.1165 54.5776 41.6198 178.0922 22 L 4.0888 7.8868 119.9835 58.9556 40.2013 178.8388 23 L 3.8574 7.8813 120.6402 58.4630 40.3126 179.0053 24 K 3.9363 8.3387 121.3569 59.2930 31.9297 178.4608 25 E 3.8886 7.9391 118.3185 59.2573 30.0012 177.9000 26 M 4.0327 8.2454 118.7621 58.6111 32.2728 177.8928 27 E 4.2650 7.9804 120.7724 58.7970 29.5889 178.8173 28 S 4.2352 8.0581 114.2595 60.7301 62.9455 175.6894 29 S 4.4685 7.5993 114.3568 58.6643 62.6531 174.0627 30 T 3.8204 7.4182 119.6422 64.4811 67.7475 172.3891 31 G 3.9838 7.4534 122.6543 44.6175 0.0000 172.2223 32 T 4.5200 7.8840 115.6621 59.0007 70.5027 173.7239 33 A 4.6485 8.2281 128.9253 49.4153 20.9866 174.4878 34 P 4.3424 0.0000 0.0000 62.8080 32.0566 176.0213 35 A 4.7076 8.3691 123.9675 50.5315 21.6573 175.6033 36 S 4.8240 8.6151 118.2184 56.7719 66.8130 173.5119 37 T 4.6506 8.3552 112.0130 60.8834 71.2959 173.3906 38 G 4.2975 8.9865 111.5038 45.3814 0.0000 176.0469 39 A 4.0456 8.1768 126.0063 54.4375 18.5221 180.0366 40 E 4.4376 8.0754 111.0148 57.2550 30.4237 177.3132 41 N 4.3505 8.0029 118.3298 54.3030 38.8554 172.6759 42 L 3.8312 7.5862 118.2142 53.8825 38.6498 172.4596 43 P 4.2438 0.0000 0.0000 65.2200 31.3372 177.6847 44 A 4.5780 7.6839 119.3572 50.6122 19.7398 176.3319 45 G 3.9536 8.6999 104.2034 46.8232 0.0000 173.2494 46 S 5.1589 7.7131 112.7175 56.7237 66.8382 172.0681 47 A 4.9522 8.2721 122.0839 50.4502 22.8040 175.0952 48 L 5.2097 8.3186 119.0013 53.7743 44.7705 175.2132 49 L 5.3323 9.1306 120.1911 53.9310 43.6982 175.4865 50 V 4.8117 8.7556 122.4685 59.8244 34.3215 174.9593 51 V 4.2002 8.8491 125.1016 62.7794 31.6902 176.2126 52 K 4.3497 9.0218 130.3719 58.3951 33.3900 176.7870 53 R 4.6087 7.8351 118.6171 54.5682 33.7386 175.7533 54 G 4.0234 8.4367 111.4229 43.8701 0.0000 170.5411 55 P 4.2239 0.0000 0.0000 65.5525 31.4836 177.6438 56 N 4.7886 7.8505 113.9115 52.4393 37.6728 174.2574 57 A 4.2699 7.8636 121.5271 54.7917 18.6305 178.5514 58 G 3.9722 9.2362 111.4939 44.9031 0.0000 173.6738 59 A 4.4798 7.8174 121.9720 50.7614 20.5901 176.4071 60 R 4.9403 8.0495 116.5556 54.2779 32.1494 174.9330 61 F 5.0866 9.3562 121.3925 55.4710 42.3162 174.0693 62 L 5.0801 8.6291 122.3580 54.0347 41.4346 176.1450 63 L 4.5384 9.1513 122.8912 54.1756 41.9953 176.5432 64 D 4.4237 8.9868 122.7820 53.5790 42.3578 175.6399 65 Q 4.7907 7.6117 116.1793 54.3178 31.1344 174.6155 66 P 4.1893 0.0000 0.0000 65.2814 32.5831 176.2068 67 T 5.0685 7.5731 115.8101 62.2945 72.5122 173.5327 68 T 4.6627 9.5084 123.7005 62.1802 71.6655 173.1859 69 T 4.7718 8.6400 123.3146 62.1452 70.7648 173.7063 70 A 5.8247 9.0948 127.4374 49.4565 22.0479 175.9900 71 G 3.7318 8.2896 107.7965 44.3239 0.0000 171.9747 72 R 4.5541 8.7533 122.4474 55.5403 30.9523 175.9964 73 H 5.0286 8.5089 121.9645 54.5658 32.6663 172.6871 74 P 4.2508 0.0000 0.0000 65.2786 31.2478 176.8529 75 E 4.5435 7.5329 116.1588 55.6779 29.7164 175.4580 76 S 4.5252 7.7280 114.9636 58.0321 63.7054 174.0430 77 D 4.3662 8.8771 124.4855 56.0102 41.5774 175.5202 78 I 3.9299 7.8773 120.5685 59.2925 37.0625 173.7658 79 F 4.9620 8.3099 127.8391 56.6643 39.9694 175.0341 80 L 4.5418 7.5729 127.1276 52.7437 44.8619 175.7638 81 D 4.2643 8.1981 122.6299 53.3805 41.0694 176.1962 82 D 4.8373 8.3005 124.3870 53.0209 42.8231 175.8893 83 V 3.8905 8.3021 119.4794 64.7358 31.9060 174.7998 84 T 4.7257 8.8514 113.8715 60.2052 69.6169 172.8706 85 V 4.0552 8.2221 122.1230 61.4104 31.2868 176.4113 86 S 4.5326 8.3159 123.9708 56.6766 62.4410 175.1870 87 R 4.6721 8.3929 123.2143 58.4974 29.4014 177.2465 88 R 4.3505 7.5514 116.9167 55.3001 32.1002 173.3308 89 H 4.8228 8.7340 122.0802 57.3856 31.5707 174.0538 90 A 4.9823 7.6184 118.1497 50.6448 23.0955 174.5369 91 E 4.7525 8.8970 117.1672 54.5275 33.7209 174.3923 92 F 5.2739 9.3850 121.4748 56.1641 41.1988 174.7127 93 R 5.0087 9.2479 123.9684 54.4538 32.5486 175.2455 94 I 4.5624 8.7176 125.7103 59.5925 38.6896 174.9420 95 N 4.7296 8.9569 126.5253 52.4552 40.7620 173.9988 96 E 3.8134 9.9393 125.9559 57.4231 27.1600 175.8701 97 G 3.8339 8.3664 105.5187 45.2607 0.0000 173.7788 98 E 4.6451 7.9150 119.8891 54.5922 31.5054 174.5911 99 F 5.3938 8.8426 120.9991 55.6797 41.6567 174.2338 100 E 5.1759 9.3953 122.2242 54.4678 32.8008 174.8912 101 V 4.6179 8.8589 122.8276 61.3646 33.7124 174.3550 102 V 4.6408 8.6333 128.4132 61.0500 33.8227 173.6311 103 D 4.7884 8.9636 129.0105 53.4773 41.6135 176.1544 104 V 4.1141 8.5458 118.3794 61.2376 32.5646 175.7430 105 G 3.8132 8.1900 107.2052 45.5842 0.0000 174.6008 106 S 3.7960 9.4076 112.1225 57.7651 62.3136 173.9633 107 L 4.0587 7.6815 119.2618 58.9800 40.4680 178.5359 108 N 4.3817 8.2057 116.9514 53.0386 39.3804 172.3556 109 G 3.5118 7.4351 106.0050 45.8578 0.0000 172.1413 110 T 4.0432 7.8298 122.5050 63.1543 70.1232 172.9791 111 Y 5.0318 8.5342 123.8080 56.1422 40.7394 174.8786 112 V 4.5393 8.8845 124.2586 61.4282 34.8822 174.9727 113 N 4.0260 9.8375 124.7341 54.9354 37.1968 174.5149 114 R 3.9480 8.3141 111.7444 56.3198 28.9643 176.1983 115 E 4.9637 7.9545 117.5403 53.2822 32.9610 173.5429 116 P 5.0013 0.0000 0.0000 62.6460 31.5754 175.7250 117 R 4.5417 8.0670 122.6733 55.0497 32.7125 174.1395 118 N 4.8760 8.9917 122.4080 54.7192 40.4727 174.8475 119 A 5.1108 7.7020 118.6827 50.3251 22.4418 175.4095 120 Q 4.4954 9.3508 122.6081 54.3742 33.2607 173.5904 121 V 4.5282 8.3455 124.9674 61.8454 32.6944 175.0704 122 M 4.5898 9.0055 128.6851 54.5312 33.0516 175.7603 123 Q 4.7761 8.4334 118.6543 54.0968 32.0106 174.5333 124 T 3.8734 8.3587 114.1474 63.5057 67.8096 174.6426 125 G 4.0011 9.3700 117.4694 44.8271 0.0000 172.9629 126 D 4.5793 8.0128 120.7186 54.0523 42.7924 174.3459 127 E 5.1211 8.8413 125.8077 54.5236 32.4223 174.1121 128 I 4.9804 9.1633 128.0122 59.5962 40.1820 174.2360 129 Q 4.8391 9.4261 129.2307 54.6998 30.8104 174.2615 130 I 4.2852 8.2932 129.0604 58.9064 39.3324 176.2260 131 G 3.8256 8.5982 118.5279 46.7978 0.0000 173.6389 132 K 4.4346 8.7443 123.2587 55.8233 32.6792 174.9593 133 F 5.3027 7.6047 114.7105 55.4217 41.5367 173.9540 134 R 5.2103 8.8975 114.2456 54.5405 33.1353 173.9536 135 L 5.2694 9.3480 120.7946 53.0495 45.4865 175.4427 136 V 4.7129 9.0008 123.2167 61.1439 33.8656 174.0462 137 F 5.0143 9.4504 131.5422 57.4941 40.6332 174.4407 138 L 4.9549 8.3619 124.8497 52.3068 46.1617 175.7867 139 A 3.9074 8.2431 122.1424 52.0391 19.1249 179.0699 140 G 3.8445 7.8520 107.9778 45.1241 0.0000 171.7547 141 P 4.4470 0.0000 0.0000 62.8667 31.8359 176.1133 142 A 4.7218 8.1485 123.9794 51.7345 19.7034 176.1451 143 E 4.1006 8.2402 125.8959 58.0982 29.7073 176.3521 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 1 M 8.30 4.51 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 S 8.35 4.42 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.60 4.59 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.42 4.35 0.00 2.74 2.83 0.00 0.00 6.95 8.37 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 5 N 8.68 4.56 0.00 2.71 2.81 0.00 0.00 7.28 7.65 0.00 0.00 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 G 7.30 3.72 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 0.00 0.00 0.00 7 T 7.90 4.41 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 1.25 0.00 0.00 8 P 0.00 4.40 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 9 E 8.74 4.25 0.00 2.14 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 2.35 2.25 0.00 10 P 0.00 4.43 0.00 2.18 2.06 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 11 Q 8.48 4.59 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 12 V 8.19 4.31 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 0.79 0.00 0.00 0.94 0.00 0.00 13 E 8.39 4.64 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 14 T 8.21 4.35 4.23 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 1.19 0.00 0.00 *16 S 8.16 3.97 0.00 3.66 3.37 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 17 V 8.01 3.92 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 0.80 0.00 0.00 0.90 0.00 0.00 18 F 8.97 4.35 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.86 4.64 0.00 1.68 1.88 0.00 3.15 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 20 A 8.44 4.84 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 21 D 8.39 4.70 0.00 2.82 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 22 L 7.89 4.09 0.00 1.90 1.90 0.95 0.26 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 23 L 7.88 3.86 0.00 1.94 2.02 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.34 3.94 0.00 1.81 2.00 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.43 7.81 25 E 7.94 3.89 0.00 1.98 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 2.26 2.35 0.00 26 M 8.25 4.03 0.00 2.12 1.74 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 27 E 7.98 4.27 0.00 2.15 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 0.00 2.29 2.19 0.00 28 S 8.06 4.24 0.00 4.00 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 29 S 7.60 4.47 0.00 3.94 4.03 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 0.00 0.00 0.00 30 T 7.42 3.82 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 31 G 7.45 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 32 T 7.88 4.52 4.24 0.00 0.00 0.00 0.00 0.00 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 33 A 8.23 4.65 1.21 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 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.34 0.00 2.06 2.00 0.00 3.63 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 2.08 0.00 35 A 8.37 4.71 1.20 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 0.00 0.00 36 S 8.62 4.82 0.00 3.89 3.70 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 37 T 8.36 4.65 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 38 G 8.99 4.30 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 0.00 39 A 8.18 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 40 E 8.08 4.44 0.00 2.13 2.13 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 2.29 2.30 0.00 41 N 8.00 4.35 0.00 3.05 2.91 0.00 0.00 6.98 6.41 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 42 L 7.59 3.83 0.00 1.86 1.76 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.24 0.00 2.42 2.15 0.00 3.73 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 1.98 1.94 0.00 44 A 7.68 4.58 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 45 G 8.70 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.71 5.16 0.00 3.94 3.71 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 47 A 8.27 4.95 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.32 5.21 0.00 1.83 1.64 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.13 5.33 0.00 1.83 1.89 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.76 4.81 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 0.74 0.00 0.00 0.95 0.00 0.00 51 V 8.85 4.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.32 0.00 0.00 52 K 9.02 4.35 0.00 1.82 1.85 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.44 7.81 53 R 7.84 4.61 0.00 1.92 1.77 0.00 3.31 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 54 G 8.44 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 0.00 0.00 0.00 55 P 0.00 4.22 0.00 1.91 1.99 0.00 2.90 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 N 7.85 4.79 0.00 3.14 3.16 0.00 0.00 6.21 7.99 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 57 A 7.86 4.27 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 58 G 9.24 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.82 4.48 0.99 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 0.00 0.00 0.00 0.00 0.00 60 R 8.05 4.94 0.00 1.69 1.79 0.00 2.90 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 61 F 9.36 5.09 0.00 2.92 2.95 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 0.00 0.00 0.00 62 L 8.63 5.08 0.00 1.63 1.63 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.15 4.54 0.00 1.90 1.91 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.99 4.42 0.00 2.64 2.69 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 0.00 0.00 0.00 0.00 65 Q 7.61 4.79 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 66 P 0.00 4.19 0.00 2.10 2.13 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 67 T 7.57 5.07 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 1.24 0.00 0.00 68 T 9.51 4.66 4.58 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 1.42 0.00 0.00 69 T 8.64 4.77 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 1.16 0.00 0.00 70 A 9.09 5.82 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 71 G 8.29 3.73 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 0.00 0.00 0.00 72 R 8.75 4.55 0.00 1.82 1.99 0.00 3.44 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 73 H 8.51 5.03 0.00 3.18 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.25 0.00 2.15 2.13 0.00 3.74 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 1.83 1.95 0.00 75 E 7.53 4.54 0.00 1.89 1.98 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 2.09 2.18 0.00 76 S 7.73 4.53 0.00 4.41 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 77 D 8.88 4.37 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.93 1.98 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.84 0.00 0.00 79 F 8.31 4.96 0.00 2.92 2.94 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 80 L 7.57 4.54 0.00 1.65 1.77 1.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.20 4.26 0.00 2.52 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.84 0.00 2.64 2.89 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 0.00 0.00 0.00 83 V 8.30 3.89 2.34 0.00 0.00 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 0.88 0.00 0.00 84 T 8.85 4.73 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 1.49 0.00 0.00 85 V 8.22 4.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 86 S 8.32 4.53 0.00 4.03 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 87 R 8.39 4.67 0.00 1.96 2.13 0.00 2.79 0.00 0.00 3.89 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 88 R 7.55 4.35 0.00 1.74 1.82 0.00 3.27 0.00 0.00 3.04 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 89 H 8.73 4.82 0.00 3.14 3.19 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.62 4.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.90 4.75 0.00 1.98 1.88 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 2.05 2.16 0.00 92 F 9.39 5.27 0.00 3.00 3.03 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 0.00 0.00 0.00 93 R 9.25 5.01 0.00 1.71 1.82 0.00 3.30 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 94 I 8.72 4.56 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.26 0.48 0.00 0.00 95 N 8.96 4.73 0.00 2.65 2.59 0.00 0.00 6.85 7.61 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 96 E 9.94 3.81 0.00 2.09 1.97 0.00 0.00 0.00 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 2.21 0.00 97 G 8.37 3.83 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 0.00 0.00 0.00 98 E 7.92 4.65 0.00 2.12 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 2.28 2.24 0.00 99 F 8.84 5.39 0.00 2.99 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 0.00 100 E 9.40 5.18 0.00 1.98 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 2.37 2.22 0.00 101 V 8.86 4.62 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 0.63 0.00 0.00 1.03 0.00 0.00 102 V 8.63 4.64 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 0.99 0.00 0.00 0.89 0.00 0.00 103 D 8.96 4.79 0.00 2.50 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.55 4.11 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 0.61 0.00 0.00 0.87 0.00 0.00 105 G 8.19 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.41 3.80 0.00 4.12 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 0.00 107 L 7.68 4.06 0.00 2.07 1.95 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.21 4.38 0.00 2.34 2.61 0.00 0.00 7.19 8.01 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 0.00 109 G 7.44 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.04 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 0.98 0.00 0.00 111 Y 8.53 5.03 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.88 4.54 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 1.00 0.00 0.00 0.89 0.00 0.00 113 N 9.84 4.03 0.00 3.03 2.86 0.00 0.00 7.62 7.83 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 0.00 114 R 8.31 3.95 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 115 E 7.95 4.96 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 116 P 0.00 5.00 0.00 2.05 1.77 0.00 3.45 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 117 R 8.07 4.54 0.00 1.89 1.74 0.00 3.26 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 118 N 8.99 4.88 0.00 2.67 2.78 0.00 0.00 7.00 7.13 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 0.00 119 A 7.70 5.11 1.14 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 0.00 120 Q 9.35 4.50 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 121 V 8.35 4.53 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 0.99 0.00 0.00 0.94 0.00 0.00 122 M 9.01 4.59 0.00 1.26 1.80 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.32 0.00 123 Q 8.43 4.78 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.13 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 124 T 8.36 3.87 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 1.21 0.00 0.00 125 G 9.37 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 0.00 126 D 8.01 4.58 0.00 2.97 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 5.12 0.00 2.13 1.79 0.00 0.00 0.00 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 2.38 0.00 128 I 9.16 4.98 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 1.02 0.00 0.00 129 Q 9.43 4.84 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.00 2.47 0.00 130 I 8.29 4.29 1.22 0.00 0.00 0.78 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 1.04 0.69 0.00 0.00 131 G 8.60 3.83 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 0.00 0.00 0.00 132 K 8.74 4.43 0.00 2.03 1.84 0.00 1.54 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.48 7.81 133 F 7.60 5.30 0.00 3.37 3.13 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 0.00 134 R 8.90 5.21 0.00 2.07 2.23 0.00 2.72 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 135 L 9.35 5.27 0.00 1.60 1.67 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 136 V 9.00 4.71 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 1.10 0.00 0.00 1.01 0.00 0.00 137 F 9.45 5.01 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.36 4.95 0.00 1.30 1.30 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.24 3.91 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.85 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 0.00 141 P 0.00 4.45 0.00 2.04 1.98 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 142 A 8.15 4.72 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.10 0.00 1.91 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 0.00 2.29 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.