NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7397 8.1633 120.2796 55.2636 34.2830 173.9011 2 K 4.9138 8.9792 120.1057 54.0867 36.9028 173.3718 3 M 4.8363 9.3867 124.1053 54.3216 34.5803 174.4226 4 V 4.6607 8.8939 126.9293 61.3067 33.7987 174.3545 5 V 4.8099 9.0753 128.7324 61.1733 33.8703 173.8305 6 A 4.9819 9.1237 130.5981 50.0242 21.9196 174.9720 7 V 4.8048 8.6817 123.2578 61.1860 33.5840 174.5266 8 I 5.0381 8.5336 121.0650 58.5245 41.7755 175.1185 9 R 4.2617 8.3173 121.0982 55.5325 30.8122 176.5920 10 P 4.7191 0.0000 0.0000 64.9538 31.5374 178.2138 11 E 4.1607 8.0574 114.2750 57.9369 30.0357 177.9306 12 K 4.2759 7.8787 118.9094 56.6193 32.3979 177.9724 13 L 3.9287 7.6570 121.7970 58.3632 41.9457 178.6185 14 E 3.9533 8.1392 117.6947 59.6731 29.3708 178.9530 15 C 4.0926 8.0336 116.1328 62.8885 28.2188 176.2692 16 V 3.6382 7.7821 121.0005 65.2326 31.1172 178.0254 17 K 3.9145 8.5851 118.5520 59.5162 31.9905 179.2137 18 K 3.8813 8.2043 118.2710 59.6507 31.7806 179.2136 19 A 4.0537 8.2637 121.0539 55.1497 18.2040 179.7769 20 L 4.1067 8.2080 117.5258 57.9433 41.6866 179.1973 21 E 4.0801 8.6831 118.9690 59.7331 29.2791 179.5436 22 E 3.9393 8.1922 116.4500 58.7944 29.6114 177.9848 23 R 4.2796 7.4402 115.8063 55.9878 30.5175 176.9454 24 G 3.6009 8.4118 106.9286 45.1262 0.0000 173.8905 25 F 4.6886 7.9133 118.8300 55.7622 39.1557 175.0032 26 V 4.1138 8.3238 125.0630 63.9706 32.7250 177.0350 27 G 3.7421 7.9843 108.3352 46.0589 0.0000 171.9666 28 M 4.8842 8.0882 120.1570 54.9239 34.4013 173.7610 29 T 4.7512 8.7953 115.1828 61.7214 72.5437 173.5152 30 V 4.9380 8.4250 124.3331 61.4876 34.4863 174.6321 31 T 4.7509 9.0064 123.8282 61.7131 72.6062 172.8033 32 E 4.5310 8.7958 125.0319 56.2175 30.6790 176.1764 33 V 4.6279 8.6776 116.9064 59.8355 36.7078 174.0833 34 K 5.0951 8.6302 119.2242 55.2562 35.4113 176.1326 35 G 4.4409 9.1967 109.9111 45.2841 0.0000 171.5393 36 R 5.0754 8.4271 115.3950 54.6670 32.7086 175.1199 37 G 4.1106 8.6830 109.9556 44.1950 0.0000 171.8066 38 E 4.5149 8.7134 119.7470 54.6167 30.6671 174.9829 39 Q 4.1350 8.2843 126.6123 54.0455 31.0561 174.5063 40 K 4.3340 7.9746 122.5332 55.7668 33.8062 175.6023 41 G 3.9791 8.8129 107.6397 43.4248 0.0000 173.7866 42 I 3.5903 8.2273 120.2682 61.7185 36.5903 176.0205 43 R 3.8609 8.2028 127.2630 54.8428 30.5379 176.8018 44 L 3.4391 7.4207 119.9257 56.6797 40.1409 175.3304 *53 V 3.7982 7.6415 119.9542 63.9290 32.1738 174.4729 54 D 4.6720 8.4925 126.7574 53.5918 41.7317 175.8482 55 L 4.2778 8.3158 121.5961 54.8765 42.1583 176.7365 56 L 4.7023 8.5798 124.0979 52.8062 44.4145 175.8763 57 Q 4.5317 8.5365 122.7861 56.6465 29.8497 175.2946 58 K 4.7919 9.3048 124.5923 55.3299 37.9564 174.8466 59 T 5.0182 8.8741 117.3139 61.8044 71.8664 173.3298 60 K 4.8894 9.3929 128.2646 55.0878 34.2167 175.0863 61 V 4.8409 8.9142 127.6496 61.1029 34.3977 173.8144 62 E 5.2720 9.3534 127.3657 54.6682 32.7012 175.4251 63 V 4.7837 8.7587 116.7586 59.4664 35.9861 174.5770 64 V 4.8560 8.4622 123.8748 61.3911 33.1464 175.0103 65 V 4.7071 8.5961 120.0488 59.0435 36.4765 175.2218 66 S 4.4418 8.8167 116.2391 58.6398 62.7606 174.8442 67 D 4.4120 8.8645 125.2607 57.6116 40.5765 177.6420 68 D 4.5574 7.8844 115.3542 54.0157 39.9959 177.0288 69 A 4.6814 8.0471 121.6269 52.1793 19.5968 178.7217 70 V 3.4236 7.5831 117.6384 66.0182 31.7164 177.3970 71 D 4.3306 8.0875 118.1395 57.5365 40.6745 178.4480 72 E 3.9507 8.0641 119.2019 59.0121 29.7737 178.8189 73 V 3.2205 7.6583 118.3823 65.8454 31.4805 178.2209 74 V 3.4914 7.9213 118.3089 65.8897 31.3206 177.4971 75 E 3.8600 8.3388 118.9321 59.2971 29.3291 178.6847 76 A 3.9914 8.0180 120.7562 55.1678 18.4227 179.7809 77 I 3.6477 7.8374 118.3501 64.2866 37.1396 178.6938 78 V 3.5150 7.9385 119.3017 66.2746 31.1769 177.9849 79 S 4.1236 7.9219 113.6494 61.4887 62.7145 176.3375 80 S 4.4737 7.9886 115.0367 59.2016 63.2292 175.4295 81 A 4.3400 7.8650 123.2352 51.9310 19.8813 177.5554 82 R 4.2709 7.1614 113.7971 56.3663 30.1586 176.6368 83 T 4.4102 9.5720 108.5346 60.6498 70.1581 175.1665 84 G 3.9520 8.7813 109.8420 45.1199 0.0000 173.1140 85 K 4.6422 7.4563 118.9593 53.7421 34.5989 175.4352 86 F 4.0823 8.7258 122.9005 60.4538 39.8300 175.5717 87 G 3.5536 7.9816 114.1244 44.9622 0.0000 174.8767 88 D 4.0523 7.1468 118.5705 55.7832 41.2171 176.7167 89 G 4.2346 7.7509 100.8730 45.0496 0.0000 172.2931 90 R 4.5501 7.9822 115.2738 54.4656 34.9789 174.2207 91 I 4.6538 7.7736 120.8973 59.4434 40.1549 174.9614 92 F 5.0806 9.1847 125.2959 55.6060 42.2188 174.3202 93 V 4.8946 8.5804 122.4059 61.2485 33.5043 174.6738 94 I 4.8216 8.8129 128.6534 58.4061 40.9814 173.2055 95 P 4.5945 0.0000 0.0000 63.0398 31.9090 175.5554 96 V 4.3316 8.2922 123.3997 61.3538 32.9023 175.1801 97 E 4.3485 8.9558 127.3759 58.5660 30.8882 176.6724 98 K 5.1661 7.8024 116.6079 54.8642 36.6501 175.8988 99 S 4.5729 9.2885 118.5219 56.6229 65.3697 172.4936 100 V 4.6815 8.4145 127.1028 60.8899 33.5819 174.7796 101 K 4.1830 9.1028 130.2381 55.7910 32.2469 177.4778 102 I 3.7135 8.5659 129.6392 64.4024 37.4565 177.5058 103 R 4.0429 8.2131 119.4926 58.8856 29.8082 176.8431 104 T 4.3575 7.8419 104.3731 60.4933 70.4024 175.2279 105 G 3.9520 8.5485 109.9899 45.3950 0.0000 173.6925 106 E 4.3797 7.8677 119.7902 56.2889 30.6639 175.8117 107 E 5.2226 8.5578 119.3145 54.7812 32.9950 174.4544 108 E 4.7608 9.4115 121.3271 54.8571 32.2493 175.0942 109 V 4.8671 8.1298 121.7480 60.7732 34.3515 175.1358 110 A 4.3433 8.7072 128.8938 51.3861 19.1416 177.3409 111 A 3.9753 8.5364 122.3890 51.9205 19.1806 177.9424 112 A 4.1716 8.5297 123.1817 52.5645 18.4073 177.5767 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 8.16 4.74 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 2 K 8.98 4.91 0.00 1.60 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.59 7.81 3 M 9.39 4.84 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 4 V 8.89 4.66 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 0.79 0.00 0.00 0.85 0.00 0.00 5 V 9.08 4.81 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 1.01 0.00 0.00 1.00 0.00 0.00 6 A 9.12 4.98 1.13 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 0.00 0.00 7 V 8.68 4.80 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 0.99 0.00 0.00 1.02 0.00 0.00 8 I 8.53 5.04 1.82 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 1.39 1.05 0.85 0.00 0.00 9 R 8.32 4.26 0.00 1.86 2.15 0.00 3.09 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 10 P 0.00 4.72 0.00 2.16 2.09 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 11 E 8.06 4.16 0.00 2.06 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 2.26 2.26 0.00 12 K 7.88 4.28 0.00 1.95 1.85 0.00 1.88 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.71 7.81 13 L 7.66 3.93 0.00 1.78 1.75 0.92 0.72 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 14 E 8.14 3.95 0.00 2.01 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 2.40 2.35 0.00 15 C 8.03 4.09 0.00 3.14 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 16 V 7.78 3.64 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 1.26 0.00 0.00 0.95 0.00 0.00 17 K 8.59 3.91 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.61 7.81 18 K 8.20 3.88 0.00 1.99 1.87 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 A 8.26 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.21 4.11 0.00 1.89 2.01 0.91 0.66 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 21 E 8.68 4.08 0.00 2.13 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 2.36 2.64 0.00 22 E 8.19 3.94 0.00 2.00 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 2.35 2.35 0.00 23 R 7.44 4.28 0.00 2.04 2.27 0.00 3.32 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 24 G 8.41 3.60 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 0.00 0.00 0.00 25 F 7.91 4.69 0.00 3.15 3.01 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 26 V 8.32 4.11 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 0.81 0.00 0.00 0.93 0.00 0.00 27 G 7.98 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 0.00 0.00 0.00 28 M 8.09 4.88 0.00 2.01 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 2.49 2.58 0.00 29 T 8.80 4.75 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 30 V 8.43 4.94 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 0.82 0.00 0.00 0.93 0.00 0.00 31 T 9.01 4.75 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 32 E 8.80 4.53 0.00 1.85 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 2.29 2.34 0.00 33 V 8.68 4.63 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 0.71 0.00 0.00 0.96 0.00 0.00 34 K 8.63 5.10 0.00 1.59 1.72 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.40 7.81 35 G 9.20 4.44 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 0.00 36 R 8.43 5.08 0.00 1.86 1.90 0.00 3.08 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 37 G 8.68 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.71 4.51 0.00 1.97 1.93 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 2.24 2.34 0.00 39 Q 8.28 4.14 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 40 K 7.97 4.33 0.00 1.72 1.66 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 41 G 8.81 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 42 I 8.23 3.59 1.85 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 1.39 0.83 0.89 0.00 0.00 43 R 8.20 3.86 0.00 1.76 1.81 0.00 3.31 0.00 0.00 3.26 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 44 L 7.42 3.44 0.00 1.82 1.94 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *53 V 7.64 3.80 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 0.90 0.00 0.00 0.94 0.00 0.00 54 D 8.49 4.67 0.00 2.73 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 55 L 8.32 4.28 0.00 1.52 1.63 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.58 4.70 0.00 1.80 1.56 0.94 0.46 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 57 Q 8.54 4.53 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 58 K 9.30 4.79 0.00 1.59 1.77 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.53 1.52 7.81 59 T 8.87 5.02 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 1.25 0.00 0.00 60 K 9.39 4.89 0.00 1.80 1.76 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 61 V 8.91 4.84 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 0.91 0.00 0.00 0.92 0.00 0.00 62 E 9.35 5.27 0.00 1.89 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 2.22 2.25 0.00 63 V 8.76 4.78 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 0.69 0.00 0.00 0.79 0.00 0.00 64 V 8.46 4.86 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 0.87 0.00 0.00 0.94 0.00 0.00 65 V 8.60 4.71 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.86 0.00 0.00 66 S 8.82 4.44 0.00 3.90 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 67 D 8.86 4.41 0.00 2.71 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 68 D 7.88 4.56 0.00 2.74 2.80 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 69 A 8.05 4.68 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 0.00 0.00 0.00 0.00 0.00 70 V 7.58 3.42 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 1.12 0.00 0.00 0.96 0.00 0.00 71 D 8.09 4.33 0.00 2.73 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 72 E 8.06 3.95 0.00 2.14 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 0.00 2.75 2.60 0.00 73 V 7.66 3.22 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 0.68 0.00 0.00 -0.11 0.00 0.00 74 V 7.92 3.49 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 0.92 0.00 0.00 75 E 8.34 3.86 0.00 2.14 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 2.30 2.32 0.00 76 A 8.02 3.99 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 77 I 7.84 3.65 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.84 0.00 0.00 78 V 7.94 3.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 79 S 7.92 4.12 0.00 3.96 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 80 S 7.99 4.47 0.00 4.07 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 81 A 7.86 4.34 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 82 R 7.16 4.27 0.00 1.89 1.99 0.00 2.99 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 83 T 9.57 4.41 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 84 G 8.78 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 85 K 7.46 4.64 0.00 1.77 1.74 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 86 F 8.73 4.08 0.00 3.00 3.07 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 87 G 7.98 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 0.00 0.00 0.00 88 D 7.15 4.05 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.75 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 0.00 0.00 0.00 0.00 90 R 7.98 4.55 0.00 1.35 0.83 0.00 3.21 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 91 I 7.77 4.65 1.70 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 1.19 0.42 0.84 0.00 0.00 92 F 9.18 5.08 0.00 2.92 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 93 V 8.58 4.89 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 0.82 0.00 0.00 0.92 0.00 0.00 94 I 8.81 4.82 1.89 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 1.28 0.56 0.91 0.00 0.00 95 P 0.00 4.59 0.00 2.07 2.06 0.00 3.71 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 1.99 1.97 0.00 96 V 8.29 4.33 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 0.83 0.00 0.00 0.95 0.00 0.00 97 E 8.96 4.35 0.00 1.97 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 2.38 2.34 0.00 98 K 7.80 5.17 0.00 1.58 1.65 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 99 S 9.29 4.57 0.00 3.84 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 0.00 100 V 8.41 4.68 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 0.83 0.00 0.00 0.93 0.00 0.00 101 K 9.10 4.18 0.00 1.85 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 102 I 8.57 3.71 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 1.30 0.65 0.91 0.00 0.00 103 R 8.21 4.04 0.00 1.77 1.98 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 7.84 4.36 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 0.00 105 G 8.55 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 0.00 106 E 7.87 4.38 0.00 1.99 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 2.33 2.26 0.00 107 E 8.56 5.22 0.00 1.91 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 0.00 2.16 2.31 0.00 108 E 9.41 4.76 0.00 1.90 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 2.25 2.24 0.00 109 V 8.13 4.87 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 0.80 0.00 0.00 0.93 0.00 0.00 110 A 8.71 4.34 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 0.00 111 A 8.54 3.98 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 0.00 112 A 8.53 4.17 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 * Residues marked with a * may have inaccurate shift predictions.