NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3980 8.3193 115.2737 58.5427 63.6658 175.4338 0 H 4.3103 8.3929 113.7775 55.1326 28.6195 174.4488 2 R 4.9494 8.2570 119.2025 55.8306 33.4598 176.7007 3 T 5.0945 8.7203 111.2325 60.0039 72.1880 172.8724 4 L 5.1426 9.0500 124.6210 53.4529 45.7890 174.6976 5 A 5.1568 8.7603 127.6841 50.2473 22.0446 175.6353 6 V 4.8107 8.9372 121.0953 61.3222 34.8630 174.1499 7 I 4.6250 9.3237 130.4622 59.8550 39.0543 174.8167 8 S 4.9812 8.7492 120.9250 56.3039 65.2160 173.5357 9 A 4.6697 8.6757 128.8688 51.7227 19.4770 177.2410 10 G 3.7526 8.1459 106.7840 47.0297 0.0000 174.3370 11 L 4.6963 8.5005 119.0936 54.2008 43.1054 176.7505 12 S 4.7765 7.8474 115.5404 56.9310 64.7718 173.1634 13 T 4.5910 8.1254 112.7268 58.9636 70.0512 172.2792 14 P 4.4263 0.0000 0.0000 62.4040 32.5252 175.8449 15 S 4.8031 8.1731 114.4373 56.0767 64.0709 175.1317 16 S 5.0757 8.5541 126.7775 61.4453 62.7696 176.7655 17 T 3.9279 7.8309 118.4062 66.4966 68.2915 176.6547 18 R 4.0894 7.9869 121.9153 58.5612 30.0275 178.7005 19 Q 3.9789 7.9096 118.0187 58.9757 28.6932 178.3443 20 I 3.8313 7.7357 119.2539 63.6281 37.9184 177.7670 21 A 3.9993 7.9476 121.8008 55.2794 18.1881 179.3640 22 D 4.3649 8.1916 118.7671 57.0333 40.8746 179.1639 23 S 4.0852 8.1138 115.7080 61.5350 62.7369 176.8661 24 I 3.6587 8.0623 123.0012 64.4952 36.8912 178.7915 25 S 4.1384 8.2918 114.9712 61.1378 62.7645 176.4104 26 E 4.0093 8.3888 122.4923 59.3135 29.2089 179.0288 27 A 3.9681 8.0014 120.8684 54.9984 18.2990 179.8761 28 V 3.5281 7.9388 117.0038 66.4169 31.6031 178.3139 29 T 3.8216 8.2072 115.5513 66.6111 68.2487 176.4425 30 A 3.9322 8.1864 122.3491 55.1252 18.1270 179.4630 31 A 3.9553 8.3679 119.7815 55.4327 18.4238 180.0595 32 V 3.5835 8.1590 116.9053 65.8061 31.5441 178.3188 33 S 4.7422 8.2577 114.4003 60.8603 62.0497 176.0047 34 A 4.0745 8.2911 122.7046 54.5307 18.0749 178.7053 35 R 4.4022 7.3216 114.7405 55.9960 30.3452 177.4784 36 G 3.9142 8.2722 107.1194 45.1559 0.0000 172.6860 37 E 4.8719 8.2388 118.3538 54.3130 33.8649 174.2990 38 A 5.0308 8.3985 120.8913 50.2581 22.1491 175.2171 39 L 5.1591 8.4325 121.3780 53.2336 45.1245 175.3616 40 S 4.9310 9.2696 120.8929 56.3723 64.7956 172.8237 41 V 4.8760 8.4292 126.0743 59.8971 33.9823 174.9837 42 S 4.5502 9.3946 119.0690 56.9782 64.4740 172.4690 43 T 4.8582 8.4360 124.5173 62.3105 69.7731 174.5289 44 I 4.2335 8.8833 128.5762 59.4881 39.3772 175.2709 45 E 4.4697 8.5569 128.2133 55.1366 29.6225 177.5226 46 L 3.8753 8.4613 126.1955 57.6734 41.4428 179.4264 47 S 4.3318 8.0327 111.9516 60.0225 63.1628 174.9064 48 E 4.5835 7.9739 121.2216 56.0939 29.9500 175.8688 49 L 4.8816 7.6982 118.3520 54.3570 43.0251 178.0925 50 I 3.7212 8.1965 121.1558 64.0690 37.1140 175.5898 51 P 4.4253 0.0000 0.0000 65.8245 31.3504 177.3598 52 D 4.4690 8.0419 117.7862 56.9437 41.2642 177.3889 53 L 4.1995 8.5508 119.3715 55.9389 41.4968 178.4582 *55 T 4.2944 7.9938 115.8183 63.0722 70.2629 174.8120 56 A 5.0821 7.7814 123.0127 52.2049 18.1844 178.0895 *58 T 4.2848 7.9309 107.8941 62.4412 70.4597 173.0999 59 T 4.3239 7.2699 116.9158 63.6737 72.7496 173.9145 60 R 4.4289 8.5414 118.3282 56.2154 30.1827 176.3174 61 V 4.2061 7.3732 118.0510 61.6165 33.5872 174.3068 62 H 4.9580 8.1528 121.8507 54.4722 30.6052 175.7639 63 T 4.2625 8.0824 112.5297 61.4656 71.0200 175.6957 64 T 3.8433 8.4315 118.1331 66.7366 68.4055 176.5064 65 K 3.8864 8.0117 120.8065 59.6085 32.2671 178.4510 66 L 3.9901 7.9756 120.5238 58.0480 42.0508 178.4420 67 E 4.0001 8.5941 119.7782 59.3081 29.5932 178.7304 68 E 4.0063 8.3368 118.7176 59.2203 29.4447 179.4270 69 I 3.7195 7.7594 120.1361 64.6507 37.2922 178.5872 70 T 3.8515 8.3004 111.0643 64.9585 68.5943 176.6182 71 S 4.0909 8.0745 117.6287 61.2541 62.6344 176.5658 72 A 3.9964 7.6585 121.9624 54.8124 18.4217 178.9034 73 L 4.0396 8.0778 119.0209 58.8612 41.9303 179.5777 74 S 4.2719 7.9353 113.2014 61.3852 62.8665 176.0009 75 A 4.2435 7.6393 120.8751 52.5430 18.6587 177.9461 76 S 4.7183 7.1503 112.8626 58.1579 63.5426 173.9004 77 D 4.7388 7.6311 121.1245 55.1698 41.7939 176.7351 78 G 4.3620 7.8377 103.7412 44.7421 0.0000 171.0797 79 L 5.2805 8.3053 119.8287 53.6956 46.1791 174.3857 80 V 4.9795 9.2078 124.4159 61.2531 35.2043 174.4466 81 V 5.2358 8.6674 119.7867 59.6064 35.3084 174.4470 82 A 5.8437 9.4227 126.5148 49.4050 22.6532 174.7052 83 T 4.8301 8.0663 115.1648 59.5508 71.1970 171.6499 84 P 4.8725 0.0000 0.0000 62.5475 33.1363 175.1495 85 V 4.5315 7.8416 119.6820 61.3314 33.0239 174.7903 86 F 5.1730 8.8822 127.0415 57.0801 41.3548 175.9042 87 K 3.6917 9.7984 123.3851 57.5650 29.5882 174.7188 88 A 3.4807 8.7569 114.9155 52.7025 16.1950 177.8241 89 S 4.3770 7.5577 113.4557 59.3282 65.6771 173.9000 90 Y 4.4246 7.6874 118.2614 56.8544 38.4767 176.3071 91 T 4.2226 8.0901 117.6611 63.2905 70.2487 176.2624 92 G 3.8137 8.7865 110.8025 48.0200 0.0000 175.5423 93 L 4.2000 7.9710 121.3522 57.7851 42.1443 178.3651 94 F 4.3828 8.1909 120.1909 61.0162 39.4002 178.5164 95 K 3.8009 8.5590 119.4166 56.2681 32.0128 178.4231 *97 F 4.5215 8.0510 119.5279 57.7810 41.2995 176.5881 98 F 3.6849 7.6267 117.5899 60.5687 38.9272 177.4312 99 D 4.4197 8.2555 119.4285 57.4734 40.6935 178.0835 100 I 3.7576 7.2678 117.8016 63.0976 38.1783 176.1988 101 L 4.0184 7.0885 119.5465 54.0836 42.2955 176.4834 102 D 4.5834 8.2152 120.2094 54.3552 41.6088 177.7915 103 T 3.8867 8.6217 118.0189 66.6362 68.3874 175.4686 104 D 4.8383 7.7662 117.5737 52.8650 39.9407 177.2602 105 A 4.1265 7.8388 125.2423 55.4265 18.3829 179.4928 106 L 4.7909 7.5520 115.2386 54.5656 42.6472 176.2884 107 T 3.8040 8.0472 115.9822 64.3297 68.8008 171.0932 108 G 3.5734 8.6588 122.5438 44.4124 0.0000 170.7928 *110 P 4.4604 0.0000 0.0000 62.3066 33.3295 176.0887 111 T 5.0136 8.7852 119.2159 62.3536 73.6142 172.5996 112 I 4.8358 8.5694 126.6056 59.5286 39.7616 174.5490 113 I 4.7484 8.3782 120.1366 59.5585 40.0609 174.4191 114 A 5.3060 8.9563 125.2585 50.8631 23.0982 174.6690 115 A 5.2668 8.9109 120.4320 50.7003 23.2085 174.8325 116 T 4.3563 7.6540 111.6205 61.0886 71.5912 172.2535 117 A 4.2935 7.7542 125.0484 51.9415 23.5319 177.2873 118 G 3.5404 8.6100 104.1626 49.7308 0.0000 174.7083 119 S 5.0073 7.8863 113.4509 56.2557 65.6556 173.3908 120 A 4.8718 8.2015 120.7365 51.9367 19.0683 178.6803 121 R 3.8193 7.6000 115.8423 59.5325 29.5099 177.3743 122 H 4.8605 7.8062 114.3467 55.2980 29.0730 176.6028 123 S 2.0000 7.3790 117.9516 60.6675 62.6409 175.8491 124 L 4.4227 7.6357 119.0083 55.2548 41.3430 178.7861 125 V 3.7379 7.8902 121.8517 64.3018 31.1909 178.4090 126 L 4.0124 7.6782 120.2852 58.0437 41.4410 178.7624 127 D 4.3516 7.8953 115.9760 55.8452 41.0641 176.3936 128 Y 4.6859 7.6004 114.9583 57.5629 39.6387 175.4247 129 A 4.5899 7.9180 120.2082 53.4400 21.1770 178.2602 130 L 4.1835 8.0606 115.2237 57.7523 41.6927 179.6144 131 R 3.8690 8.3382 118.9930 59.1938 30.0581 176.6633 132 P 4.3863 0.0000 0.0000 65.5271 31.0538 178.4000 133 L 3.9896 7.4861 117.4983 58.3090 42.3305 178.8167 134 L 4.1444 8.1572 119.1220 57.8168 41.2901 179.7210 135 S 4.1953 8.4710 114.9808 61.2726 62.9025 177.0049 136 Y 4.3038 7.9800 122.4762 57.3974 38.8002 176.4468 *138 R 4.3492 7.9312 113.9727 55.3626 32.6360 175.3301 139 A 4.5819 8.1512 120.6870 51.3264 19.6814 178.8267 140 V 4.0373 8.3090 114.5527 60.2060 32.9461 175.3331 141 V 4.6084 8.2291 126.7065 61.5587 32.1648 176.1693 142 V 3.7384 8.6609 122.6033 60.9458 31.4884 174.7283 143 P 4.1767 0.0000 0.0000 65.8651 31.3202 176.5023 144 T 4.2499 8.1843 115.2916 62.4131 67.5666 174.5804 145 G 3.9848 8.3591 113.8169 45.5556 0.0000 172.0890 146 V 4.5222 8.7910 121.7785 61.0668 33.6920 174.2471 147 F 5.1994 9.1473 131.0441 56.4753 40.9559 174.5226 148 A 4.0441 8.6183 129.9270 50.5466 20.4641 175.5895 149 A 4.6050 7.8778 125.4862 50.5571 20.1052 177.6608 150 T 2.0000 8.3013 114.1486 64.6507 68.8632 176.4075 151 E 4.0172 7.9953 120.3240 57.9527 29.4561 176.9197 152 D 4.9212 7.3498 118.9671 53.8621 41.5341 176.4119 153 F 4.9264 7.6133 117.7697 57.2693 40.2479 174.5966 154 G 3.9179 9.3954 114.8603 45.9333 0.0000 175.2662 155 G 3.9398 8.3265 107.0484 44.3802 0.0000 172.0169 156 P 4.3072 0.0000 0.0000 65.6381 31.1813 178.5585 157 E 4.1451 8.2073 117.1575 59.4247 29.4639 179.2729 158 G 3.8193 7.9914 105.7099 47.8823 0.0000 175.5753 159 A 4.0642 8.0057 122.5526 54.9049 18.3163 179.3597 160 E 3.9257 8.0322 117.1687 59.2980 29.7892 178.8684 161 F 4.4138 8.4298 121.0190 61.2747 39.2650 177.0195 162 N 4.1496 8.0088 116.0727 55.7012 38.2522 177.3417 163 K 3.9188 7.7863 121.6636 59.2132 32.2704 178.7983 164 R 3.8705 7.5904 119.2128 59.3977 29.9762 178.5365 165 I 3.4863 7.3037 118.9601 64.2187 36.9825 178.1315 166 A 3.9372 7.5438 121.4178 55.0704 18.1511 179.5144 167 R 3.8896 7.9829 116.8429 59.6382 30.0979 178.5279 168 A 3.9742 7.9278 120.1670 55.0538 18.3670 179.3193 169 A 4.0128 8.4960 119.7242 55.3272 18.4734 180.1274 170 G 3.5351 8.8298 105.1235 47.8971 0.0000 175.6128 171 E 3.9692 8.5361 121.7125 59.2057 29.5026 179.3779 172 L 3.9512 8.2883 120.3110 58.0330 42.1315 178.7483 173 A 3.9877 8.5272 121.2324 55.1521 18.3182 179.8396 174 S 4.0475 8.2012 113.6316 61.8167 62.8577 176.8721 175 L 4.0177 7.6361 121.6327 57.7496 41.0956 179.6062 176 I 3.6821 7.6883 118.8515 64.5638 37.2563 178.4875 177 V 3.8891 7.5638 110.1830 62.6790 31.6172 177.9590 178 E 4.0124 7.7974 118.9226 58.3059 29.7448 176.8905 179 E 3.9514 7.3649 117.8563 57.2736 30.2520 177.3948 180 S 4.1221 8.3226 115.6306 58.6682 62.6317 173.4354 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 S 8.32 4.40 0.00 3.74 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.39 4.31 0.00 3.33 3.41 0.00 5.75 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.26 4.95 0.00 1.71 1.93 0.00 3.23 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 3 T 8.72 5.09 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 1.22 0.00 0.00 4 L 9.05 5.14 0.00 1.70 1.60 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.76 5.16 1.24 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 6 V 8.94 4.81 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 0.97 0.00 0.00 0.93 0.00 0.00 7 I 9.32 4.62 1.89 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.54 0.47 0.00 0.00 8 S 8.75 4.98 0.00 3.86 3.79 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 0.00 0.00 0.00 9 A 8.68 4.67 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 10 G 8.15 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 11 L 8.50 4.70 0.00 1.77 1.77 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.85 4.78 0.00 3.91 3.79 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 0.00 0.00 0.00 13 T 8.13 4.59 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 1.23 0.00 0.00 14 P 0.00 4.43 0.00 2.22 2.11 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 15 S 8.17 4.80 0.00 4.11 3.77 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 16 S 8.55 5.08 0.00 3.92 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 17 T 7.83 3.93 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 1.22 0.00 0.00 18 R 7.99 4.09 0.00 1.95 2.08 0.00 3.23 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 19 Q 7.91 3.98 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.71 0.00 20 I 7.74 3.83 1.99 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 1.52 1.73 1.03 0.00 0.00 21 A 7.95 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.36 0.00 2.85 2.87 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 23 S 8.11 4.09 0.00 4.01 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 24 I 8.06 3.66 2.01 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 1.54 0.93 0.91 0.00 0.00 25 S 8.29 4.14 0.00 4.03 4.12 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 26 E 8.39 4.01 0.00 2.29 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 2.31 2.31 0.00 27 A 8.00 3.97 1.31 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 0.00 0.00 0.00 28 V 7.94 3.53 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 1.11 0.00 0.00 1.01 0.00 0.00 29 T 8.21 3.82 4.41 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 0.00 0.00 1.20 0.00 0.00 30 A 8.19 3.93 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.37 3.96 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 32 V 8.16 3.58 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 1.01 0.00 0.00 0.98 0.00 0.00 33 S 8.26 4.74 0.00 4.03 4.05 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 34 A 8.29 4.07 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.32 4.40 0.00 1.78 1.95 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 36 G 8.27 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 37 E 8.24 4.87 0.00 1.90 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 2.20 2.21 0.00 38 A 8.40 5.03 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 39 L 8.43 5.16 0.00 1.62 1.51 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.27 4.93 0.00 3.87 3.76 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 0.00 0.00 0.00 41 V 8.43 4.88 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 0.76 0.00 0.00 0.92 0.00 0.00 42 S 9.39 4.55 0.00 3.82 3.74 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 0.00 0.00 0.00 0.00 43 T 8.44 4.86 4.22 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 1.19 0.00 0.00 44 I 8.88 4.23 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.71 0.00 0.00 45 E 8.56 4.47 0.00 1.96 1.87 0.00 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0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *55 T 7.99 4.29 4.47 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 1.22 0.00 0.00 56 A 7.78 5.08 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 *58 T 7.93 4.28 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 59 T 7.27 4.32 4.43 0.00 0.00 0.00 0.00 0.00 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 60 R 8.54 4.43 0.00 1.87 2.01 0.00 2.98 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 61 V 7.37 4.21 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 0.81 0.00 0.00 0.89 0.00 0.00 62 H 8.15 4.96 0.00 3.17 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.08 4.26 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 1.24 0.00 0.00 64 T 8.43 3.84 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 1.23 0.00 0.00 65 K 8.01 3.89 0.00 1.82 1.95 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 66 L 7.98 3.99 0.00 1.82 1.79 0.95 0.79 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 67 E 8.59 4.00 0.00 2.12 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 0.00 2.31 2.40 0.00 68 E 8.34 4.01 0.00 2.26 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 2.33 2.46 0.00 69 I 7.76 3.72 2.05 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 1.57 0.82 0.97 0.00 0.00 70 T 8.30 3.85 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 1.03 0.00 0.00 71 S 8.07 4.09 0.00 3.97 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 72 A 7.66 4.00 1.34 0.00 0.00 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124 L 7.64 4.42 0.00 1.78 2.04 1.04 0.95 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 0.00 125 V 7.89 3.74 2.17 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 0.95 0.00 0.00 0.93 0.00 0.00 126 L 7.68 4.01 0.00 1.68 1.78 1.10 1.43 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 0.00 127 D 7.90 4.35 0.00 2.25 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 0.00 0.00 0.00 128 Y 7.60 4.69 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 0.00 129 A 7.92 4.59 1.16 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 0.00 130 L 8.06 4.18 0.00 1.99 1.79 1.05 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 0.00 131 R 8.34 3.87 0.00 1.96 1.88 0.00 3.19 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 132 P 0.00 4.39 0.00 2.26 2.15 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 133 L 7.49 3.99 0.00 1.83 1.85 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.16 4.14 0.00 1.80 1.72 1.01 1.03 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 0.00 135 S 8.47 4.20 0.00 3.89 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 0.00 136 Y 7.98 4.30 0.00 3.03 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 *138 R 7.93 4.35 0.00 1.77 1.92 0.00 3.08 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 139 A 8.15 4.58 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 0.00 140 V 8.31 4.04 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 0.81 0.00 0.00 0.94 0.00 0.00 141 V 8.23 4.61 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 0.86 0.00 0.00 0.96 0.00 0.00 142 V 8.66 3.74 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 0.71 0.00 0.00 1.03 0.00 0.00 143 P 0.00 4.18 0.00 2.04 2.15 0.00 3.93 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 2.04 2.14 0.00 144 T 8.18 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 1.28 0.00 0.00 145 G 8.36 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 0.00 146 V 8.79 4.52 2.16 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 1.05 0.00 0.00 0.94 0.00 0.00 147 F 9.15 5.20 0.00 3.12 3.02 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 0.00 148 A 8.62 4.04 1.41 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 0.00 0.00 0.00 0.00 0.00 149 A 7.88 4.60 1.26 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 0.00 150 T 8.30 2.00 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 0.99 0.00 0.00 151 E 8.00 4.02 0.00 1.89 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 2.25 2.26 0.00 152 D 7.35 4.92 0.00 2.52 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.61 4.93 0.00 2.95 2.87 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 0.00 154 G 9.40 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 0.00 155 G 8.33 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 0.00 0.00 0.00 156 P 0.00 4.31 0.00 2.19 2.14 0.00 3.63 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 2.13 2.20 0.00 157 E 8.21 4.15 0.00 2.06 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 2.43 2.40 0.00 158 G 7.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.01 4.06 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 0.00 160 E 8.03 3.93 0.00 2.30 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 2.35 2.51 0.00 161 F 8.43 4.41 0.00 3.23 3.31 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 0.00 162 N 8.01 4.15 0.00 2.83 2.77 0.00 0.00 6.63 8.13 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 0.00 163 K 7.79 3.92 0.00 1.96 1.78 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 164 R 7.59 3.87 0.00 2.02 1.94 0.00 3.31 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 165 I 7.30 3.49 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.24 0.78 0.00 0.00 166 A 7.54 3.94 1.28 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 0.00 0.00 0.00 167 R 7.98 3.89 0.00 1.89 2.10 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 168 A 7.93 3.97 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 0.00 169 A 8.50 4.01 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 0.00 170 G 8.83 3.54 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 0.00 0.00 0.00 171 E 8.54 3.97 0.00 2.16 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 2.32 0.00 172 L 8.29 3.95 0.00 1.81 1.88 0.93 1.07 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 0.00 173 A 8.53 3.99 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 0.00 174 S 8.20 4.05 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 0.00 175 L 7.64 4.02 0.00 1.80 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 176 I 7.69 3.68 2.04 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 0.76 0.91 0.00 0.00 177 V 7.56 3.89 2.17 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 0.74 0.00 0.00 1.02 0.00 0.00 178 E 7.80 4.01 0.00 2.15 2.18 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 2.32 2.34 0.00 179 E 7.36 3.95 0.00 2.02 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 2.34 2.55 0.00 180 S 8.32 4.12 0.00 3.75 3.64 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 * Residues marked with a * may have inaccurate shift predictions.