NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9538 8.2833 118.0914 53.2560 40.0472 171.0232 3 I 4.8803 8.3816 124.0323 59.0669 39.6114 172.8530 4 N 5.4800 9.8474 125.8816 51.6108 42.2696 174.0060 5 I 4.9803 8.9569 122.7225 59.7063 40.5926 174.8051 6 V 4.6127 8.6480 129.3060 62.0402 32.4875 174.9514 7 T 5.5422 8.8993 117.8831 59.0737 72.5089 172.6598 8 I 4.6336 8.2927 121.8280 60.5457 39.3823 173.5816 9 G 4.1938 9.0970 118.9559 44.8983 0.0000 174.0858 10 K 4.0200 9.0833 122.0901 56.6496 31.6667 176.8793 11 L 3.3855 8.7417 124.6944 52.3721 42.1852 174.8627 12 K 3.3152 8.2982 122.0491 60.0700 32.0088 175.8734 13 E 4.5804 8.5306 114.7771 55.7247 33.7272 177.8275 14 K 4.7391 7.8847 120.7449 58.7299 33.0120 177.7604 15 Y 4.1126 8.2268 116.1550 60.3110 38.0771 177.8865 16 L 3.7572 6.1250 121.5267 56.7731 41.6068 179.3936 17 K 3.8263 7.7673 118.9867 59.7039 32.1154 178.4492 18 Q 4.1882 7.9651 119.4419 58.8404 28.7910 178.6859 19 G 3.5096 7.7652 106.8916 47.7802 0.0000 175.8223 20 I 3.8156 7.8079 122.9915 64.1429 36.9076 178.4797 21 E 3.7822 8.6029 119.5117 59.0778 28.7598 179.2415 22 E 3.7421 7.7891 119.3674 59.3960 29.7777 178.2735 23 Y 3.9822 8.0753 116.8030 60.8906 37.9152 177.9800 24 T 3.9339 8.7641 117.8023 66.8154 67.2820 176.6108 25 K 4.0187 7.6248 120.0246 60.0588 32.3983 179.3176 26 R 4.1037 7.6400 117.7019 58.3268 30.1346 178.0715 27 L 4.5431 7.9532 118.5364 56.1616 42.0467 178.7736 28 S 4.9541 8.1324 114.5968 60.4512 62.8255 176.0038 29 A 3.9122 7.0353 121.2515 54.5191 17.9385 176.2599 30 Y 4.5241 7.7054 112.0816 58.2581 40.7324 176.1669 31 A 4.6757 7.1746 119.3580 50.1904 22.4900 174.5276 32 K 4.8312 8.3972 118.2197 55.0635 33.7532 175.7966 33 I 5.5039 8.2470 118.5856 58.5885 40.2152 174.7190 34 D 4.9217 8.5691 123.2839 52.7107 44.3883 174.8522 35 I 4.6719 8.4716 124.5652 60.1278 37.8859 175.7617 36 I 4.1060 8.8395 130.5891 60.5061 37.8483 175.2691 37 E 4.7052 8.6999 127.8354 55.0843 30.5114 175.8679 38 L 4.7772 8.6543 125.7571 52.3072 44.0150 174.5435 39 P 4.6792 0.0000 0.0000 63.0979 32.2080 175.7345 40 D 4.9681 8.3174 123.2510 51.7329 41.8638 175.0462 *47 L 4.2918 8.0468 117.2045 55.3461 43.3605 179.5000 48 S 4.3592 8.2510 119.4157 58.8104 62.7733 171.7937 49 D 4.7658 8.4322 116.5702 56.1719 42.8510 178.2868 50 Q 4.0998 7.8411 116.8060 58.2222 29.2790 176.8331 51 D 4.8028 7.3886 117.4526 54.5551 41.1148 178.3080 *53 K 4.2206 8.1392 121.9660 56.6188 34.3847 177.6646 54 I 3.6960 7.4451 118.8309 64.5866 37.0512 178.5460 55 I 3.7696 7.8808 120.4412 63.8554 36.7140 178.5752 56 K 3.9032 7.8353 120.2914 59.8002 32.2653 178.5820 57 D 4.3597 8.0296 118.7024 56.9485 40.5584 178.9488 58 K 3.9225 7.9052 119.3149 59.6186 32.0730 179.0556 59 E 4.0448 8.4374 118.8699 59.3595 29.2762 179.5408 60 G 3.7523 8.2230 107.3200 47.5639 0.0000 175.4167 61 D 4.3647 8.7053 122.3542 56.7074 40.5919 179.0374 62 R 3.9347 7.9353 118.6650 59.2050 30.2693 178.5351 63 I 3.9002 7.8737 119.9174 64.4212 37.2700 178.3634 64 L 4.1011 8.2420 120.2631 57.4943 41.1651 179.0515 65 S 4.4386 7.8060 111.1022 59.2597 62.8220 174.5243 66 K 4.5247 7.8423 120.0252 56.0035 33.1511 175.5985 67 I 4.3630 7.6394 120.6182 59.2504 38.3746 175.9741 68 S 4.3899 8.4696 121.5182 57.9846 63.6058 172.8626 69 P 4.4523 0.0000 0.0000 65.0701 31.4794 177.4482 70 D 4.8654 8.0832 115.8145 53.3977 39.4899 175.3048 71 A 4.8945 7.4643 120.5421 51.2036 21.4282 176.7867 72 H 4.6765 9.3990 122.1183 54.9640 31.4976 173.9872 73 V 4.5438 8.8526 127.3644 61.5316 33.2808 174.4760 74 I 4.5900 8.7818 129.3835 59.6093 39.3213 174.3498 75 A 4.9497 8.6817 130.1020 50.5496 20.7222 175.8369 76 L 4.6997 8.6318 123.2654 54.0983 42.6342 176.6213 77 A 4.7299 8.7785 125.6559 50.1243 22.2817 177.0915 78 I 3.7590 8.7903 116.3260 63.0213 37.5840 176.4413 79 E 4.4196 7.9709 117.0929 55.9217 30.1371 176.5081 80 G 3.8768 7.9341 107.9275 45.6938 0.0000 175.1957 81 K 4.5941 8.3755 126.2530 56.3896 34.2980 177.2605 *83 K 4.6485 8.5911 126.3739 57.4920 33.5790 176.0587 84 T 4.2886 8.8125 113.7113 60.7955 70.2875 176.0672 85 S 4.0464 8.5214 117.2079 61.6308 62.6604 176.6812 86 E 3.9038 8.0833 120.6863 59.6952 29.3029 179.2198 87 E 3.9586 8.1892 118.3508 59.2469 29.3306 179.2537 88 L 3.9995 8.0333 120.3566 58.0229 42.1349 178.9112 89 A 3.9041 8.1117 121.0197 54.9901 18.1754 179.1415 90 D 4.2194 8.1235 116.7688 57.5690 41.2539 178.7053 91 T 3.7732 7.8633 116.3516 66.6251 68.3642 176.6908 92 I 3.6198 7.4091 121.4866 64.3892 37.2046 177.7511 93 D 4.1813 7.8954 118.6620 57.1974 41.0176 177.9124 94 K 3.7037 8.5793 120.5644 59.8104 31.9640 178.3620 95 L 3.8343 7.9418 117.8075 57.9800 41.8193 179.5136 96 A 4.1342 7.7735 120.2953 55.6526 18.2240 179.5858 97 T 3.9731 7.5438 112.3883 67.1063 68.5516 175.3455 98 Y 4.4214 8.4265 116.8648 58.1501 38.3428 176.5577 99 G 4.2365 8.1032 115.7898 46.0795 0.0000 174.1336 100 K 3.7756 7.9521 120.3108 57.0603 31.6662 176.1447 101 S 4.6232 8.6258 118.4826 57.9114 63.3989 174.3980 102 K 4.6682 7.8231 120.7589 54.7640 34.7825 174.8324 103 V 4.7121 8.5699 125.7789 61.0853 34.4556 174.2536 104 T 5.0839 9.0623 122.0037 60.4347 70.5328 172.2709 105 F 5.1977 9.1349 127.8756 56.3248 41.2498 174.9093 106 V 4.8981 9.0129 123.2663 61.1495 34.2791 174.0902 107 I 4.6055 8.6776 128.6765 59.6016 39.8563 176.1956 108 G 4.1560 8.6729 115.3695 45.7679 0.0000 171.5211 109 G 4.0901 8.1525 108.6182 43.8060 0.0000 173.8884 110 S 4.1012 8.7365 114.2415 61.9323 62.7070 176.2045 111 L 4.0027 7.7653 117.4842 55.6851 41.7438 177.1006 112 G 3.8695 8.0605 104.7510 44.4385 0.0000 172.3314 113 L 4.4025 7.8811 118.3293 53.1766 42.4714 177.4342 114 S 4.3984 8.3474 117.3699 57.9494 63.8119 174.9121 115 D 4.3797 8.5856 120.9910 57.6077 40.5534 178.5040 116 T 3.9824 7.8569 108.9813 64.4853 69.0602 175.5916 117 V 3.7609 7.4866 120.6803 63.1756 31.2346 177.3819 *119 K 4.1872 8.0950 120.9095 55.8910 33.5188 176.8803 120 R 3.9156 7.5802 115.9488 58.1909 30.2161 176.2523 121 A 4.0349 7.4680 121.4650 52.4636 18.3681 177.1459 122 D 4.5676 8.4479 124.0217 57.0942 41.6010 176.6460 123 E 4.7932 7.8290 115.8430 55.0032 34.5772 174.1049 124 K 5.0047 8.6312 120.6600 54.5749 35.7237 174.6373 125 L 5.0120 9.3356 127.7713 53.2922 44.3846 174.6859 126 S 5.2113 9.4072 121.5743 56.8617 63.7348 173.7742 127 F 5.0099 8.7646 124.0866 57.5466 40.0095 175.4189 128 S 4.7041 6.9318 113.4454 57.9602 65.7683 176.2211 129 K 4.1534 8.3642 121.9044 56.8256 31.7529 177.7823 *131 T 3.8433 7.7862 114.3369 63.4322 69.6134 173.8587 132 F 5.3391 8.1451 124.3890 54.7959 41.5815 173.8988 133 P 4.5392 0.0000 0.0000 62.6286 31.9145 177.4122 134 H 4.3349 8.9338 117.4100 58.7346 29.0097 176.7718 135 Q 4.0517 7.8023 118.0199 58.8473 28.6376 179.2549 136 L 4.4148 7.3817 120.7196 54.2976 41.3240 178.5355 *138 R 4.2331 8.0987 119.0211 55.9005 32.2510 176.8810 139 L 4.0238 7.5128 118.4245 57.9197 42.0237 178.6691 140 I 3.6085 7.7938 119.7719 64.3246 37.0242 177.8977 141 L 4.1330 8.1040 120.6343 58.4369 41.9790 179.1934 142 V 3.5959 7.4790 119.0133 64.8716 31.0044 177.9030 143 E 2.9016 7.9064 119.8075 58.7390 29.3592 178.8152 144 Q 3.9194 8.2351 118.4891 58.9680 28.7660 178.7236 145 I 3.8415 8.0993 121.2754 64.4053 37.1037 177.8353 146 Y 4.2102 8.1964 120.3950 60.8902 38.6343 178.0085 147 R 4.2305 8.7195 119.7619 59.5576 30.0909 178.3487 148 A 3.8926 8.4512 120.8617 55.2594 18.3567 179.6574 149 F 3.6457 8.2227 116.3388 60.3479 38.3613 177.9424 150 R 3.6641 7.9887 118.4099 59.4594 29.6734 178.3223 151 I 3.6921 7.6463 118.3630 64.9117 37.2006 177.6155 152 N 4.2609 7.9699 116.2499 56.4488 38.4809 177.4081 153 R 3.9865 7.6898 119.7444 60.4219 30.4482 176.6962 154 G 3.4917 6.7353 109.6911 45.3100 0.0000 173.3678 155 E 4.3583 7.6502 120.8270 54.5889 30.4816 174.4823 156 P 4.5377 0.0000 0.0000 62.0064 32.3040 175.8724 157 Y 4.4828 8.6858 119.1292 58.4542 38.5917 175.8215 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 2 N 8.28 4.95 0.00 3.02 2.89 0.00 0.00 6.87 6.59 0.00 0.00 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 I 8.38 4.88 2.04 0.00 0.00 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 1.44 1.10 1.24 0.00 0.00 4 N 9.85 5.48 0.00 2.71 2.74 0.00 0.00 6.33 6.76 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 5 I 8.96 4.98 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.97 0.00 0.00 6 V 8.65 4.61 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 0.98 0.00 0.00 0.96 0.00 0.00 7 T 8.90 5.54 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 8 I 8.29 4.63 1.77 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.92 0.00 0.00 9 G 9.10 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.08 4.02 0.00 1.77 1.80 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 11 L 8.74 3.39 0.00 1.88 1.61 0.86 0.45 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 12 K 8.30 3.32 0.00 1.67 1.50 0.00 1.86 0.00 0.00 1.60 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 13 E 8.53 4.58 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 14 K 7.88 4.74 0.00 1.99 1.94 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.51 7.81 15 Y 8.23 4.11 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 16 L 6.13 3.76 0.00 1.19 1.52 0.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.77 3.83 0.00 1.75 1.76 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.62 1.47 7.81 18 Q 7.97 4.19 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 19 G 7.77 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 20 I 7.81 3.82 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 0.94 0.00 0.00 21 E 8.60 3.78 0.00 2.02 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 2.32 2.44 0.00 22 E 7.79 3.74 0.00 2.10 1.86 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 1.96 1.94 0.00 23 Y 8.08 3.98 0.00 3.03 2.90 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 24 T 8.76 3.93 4.26 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 1.23 0.00 0.00 25 K 7.62 4.02 0.00 1.97 2.04 0.00 1.27 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.42 7.81 26 R 7.64 4.10 0.00 1.98 2.23 0.00 3.11 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.40 0.00 27 L 7.95 4.54 0.00 2.15 1.73 1.18 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.13 4.95 0.00 3.99 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 29 A 7.04 3.91 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 30 Y 7.71 4.52 0.00 2.52 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 4.68 1.08 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 0.00 0.00 0.00 0.00 0.00 32 K 8.40 4.83 0.00 1.72 1.76 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 33 I 8.25 5.50 1.95 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 1.39 1.08 0.99 0.00 0.00 34 D 8.57 4.92 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.67 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.93 0.00 0.00 36 I 8.84 4.11 1.89 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 1.26 1.04 0.92 0.00 0.00 37 E 8.70 4.71 0.00 1.85 1.91 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 2.27 2.34 0.00 38 L 8.65 4.78 0.00 1.70 1.56 0.94 0.73 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 39 P 0.00 4.68 0.00 2.07 2.06 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 40 D 8.32 4.97 0.00 2.81 2.84 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 *47 L 8.05 4.29 0.00 1.67 1.60 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.25 4.36 0.00 3.83 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 49 D 8.43 4.77 0.00 2.68 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 50 Q 7.84 4.10 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 51 D 7.39 4.80 0.00 2.70 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 *53 K 8.14 4.22 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 54 I 7.45 3.70 2.07 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 1.52 0.80 0.91 0.00 0.00 55 I 7.88 3.77 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 1.40 0.81 0.90 0.00 0.00 56 K 7.84 3.90 0.00 1.81 1.91 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.68 7.81 57 D 8.03 4.36 0.00 2.79 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 58 K 7.91 3.92 0.00 1.94 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.62 7.81 59 E 8.44 4.04 0.00 2.00 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 2.32 2.59 0.00 60 G 8.22 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 61 D 8.71 4.36 0.00 2.64 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 62 R 7.94 3.93 0.00 2.01 2.09 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 63 I 7.87 3.90 2.08 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.91 0.00 0.00 64 L 8.24 4.10 0.00 1.66 1.72 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.81 4.44 0.00 4.05 4.10 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 66 K 7.84 4.52 0.00 1.86 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.51 7.81 67 I 7.64 4.36 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.90 0.00 0.00 68 S 8.47 4.39 0.00 3.86 3.93 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 69 P 0.00 4.45 0.00 2.18 2.08 0.00 3.59 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 2.09 2.06 0.00 70 D 8.08 4.87 0.00 2.79 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 71 A 7.46 4.89 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 72 H 9.40 4.68 0.00 3.14 3.12 0.00 5.57 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.85 4.54 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 0.85 0.00 0.00 0.88 0.00 0.00 74 I 8.78 4.59 1.49 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.38 1.08 0.00 0.00 75 A 8.68 4.95 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 76 L 8.63 4.70 0.00 1.55 1.42 0.53 0.26 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 77 A 8.78 4.73 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 3.76 1.81 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 1.42 0.46 0.80 0.00 0.00 79 E 7.97 4.42 0.00 2.07 2.06 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 2.17 2.27 0.00 80 G 7.93 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 0.00 0.00 0.00 81 K 8.38 4.59 0.00 1.90 1.62 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 *83 K 8.59 4.65 0.00 1.73 1.81 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.50 7.81 84 T 8.81 4.29 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 1.20 0.00 0.00 85 S 8.52 4.05 0.00 3.81 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 86 E 8.08 3.90 0.00 2.02 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 2.37 2.43 0.00 87 E 8.19 3.96 0.00 2.24 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 2.30 0.00 88 L 8.03 4.00 0.00 1.87 1.83 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.11 3.90 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 90 D 8.12 4.22 0.00 2.68 2.78 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 91 T 7.86 3.77 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 1.14 0.00 0.00 92 I 7.41 3.62 1.65 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.42 0.00 0.00 93 D 7.90 4.18 0.00 2.96 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 94 K 8.58 3.70 0.00 1.70 1.74 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 0.91 7.81 95 L 7.94 3.83 0.00 1.72 1.67 0.79 0.43 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 96 A 7.77 4.13 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 97 T 7.54 3.97 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 1.34 0.00 0.00 98 Y 8.43 4.42 0.00 2.81 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 99 G 8.10 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 0.00 0.00 0.00 0.00 100 K 7.95 3.78 0.00 1.91 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.76 7.81 101 S 8.63 4.62 0.00 3.86 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 0.00 102 K 7.82 4.67 0.00 1.86 1.72 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 103 V 8.57 4.71 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 0.61 0.00 0.00 0.90 0.00 0.00 104 T 9.06 5.08 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 0.00 105 F 9.13 5.20 0.00 3.06 2.90 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 0.00 106 V 9.01 4.90 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 1.06 0.00 0.00 0.94 0.00 0.00 107 I 8.68 4.61 1.89 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 1.12 1.15 0.93 0.00 0.00 108 G 8.67 4.16 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 0.00 0.00 0.00 109 G 8.15 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.74 4.10 0.00 3.87 3.99 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 0.00 111 L 7.77 4.00 0.00 1.62 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.06 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 0.00 113 L 7.88 4.40 0.00 1.63 1.59 0.91 0.86 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 0.00 114 S 8.35 4.40 0.00 4.10 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 0.00 115 D 8.59 4.38 0.00 2.68 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 0.00 116 T 7.86 3.98 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 1.20 0.00 0.00 117 V 7.49 3.76 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 0.90 0.00 0.00 0.92 0.00 0.00 *119 K 8.10 4.19 0.00 1.90 1.99 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 120 R 7.58 3.92 0.00 1.82 2.08 0.00 3.35 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 121 A 7.47 4.03 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 0.00 122 D 8.45 4.57 0.00 2.36 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 0.00 123 E 7.83 4.79 0.00 1.86 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 2.32 2.35 0.00 124 K 8.63 5.00 0.00 1.66 1.66 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 125 L 9.34 5.01 0.00 1.76 1.51 1.30 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.41 5.21 0.00 4.07 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.76 5.01 0.00 3.09 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 0.00 128 S 6.93 4.70 0.00 4.10 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.36 4.15 0.00 1.75 1.77 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.39 7.81 *131 T 7.79 3.84 4.19 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 0.00 0.00 0.00 1.19 0.00 0.00 132 F 8.15 5.34 0.00 3.07 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 0.00 133 P 0.00 4.54 0.00 2.21 2.00 0.00 3.73 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 134 H 8.93 4.33 0.00 3.33 3.45 0.00 5.54 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.80 4.05 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.30 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 136 L 7.38 4.41 0.00 1.81 1.86 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 8.10 4.23 0.00 1.96 2.17 0.00 3.29 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 139 L 7.51 4.02 0.00 1.94 1.81 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.79 3.61 2.04 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.89 0.00 0.00 141 L 8.10 4.13 0.00 1.79 1.65 0.39 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.48 3.60 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 0.83 0.00 0.00 1.02 0.00 0.00 143 E 7.91 2.90 0.00 1.34 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 0.00 1.84 2.33 0.00 144 Q 8.24 3.92 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.15 1.86 0.00 145 I 8.10 3.84 2.11 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 1.29 0.00 0.00 146 Y 8.20 4.21 0.00 3.19 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 0.00 147 R 8.72 4.23 0.00 2.30 2.14 0.00 3.19 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 148 A 8.45 3.89 1.27 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 0.00 0.00 149 F 8.22 3.65 0.00 3.09 2.54 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 0.00 0.00 0.00 150 R 7.99 3.66 0.00 1.84 2.07 0.00 3.02 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 151 I 7.65 3.69 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.95 0.87 0.00 0.00 152 N 7.97 4.26 0.00 2.52 2.72 0.00 0.00 7.16 7.74 0.00 0.00 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 R 7.69 3.99 0.00 1.72 2.05 0.00 3.13 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.71 0.00 154 G 6.74 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.65 4.36 0.00 2.03 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 2.35 2.37 0.00 156 P 0.00 4.54 0.00 2.11 2.07 0.00 3.74 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 2.06 2.11 0.00 157 Y 8.69 4.48 0.00 2.91 2.99 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 * Residues marked with a * may have inaccurate shift predictions.