NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0612 7.8827 121.4420 61.1432 38.5005 173.7735 17 V 4.3520 8.2131 125.1233 61.6863 33.0387 173.6952 18 G 3.9381 9.0462 114.5097 46.3055 0.0000 173.3920 19 G 4.4111 7.7360 108.1538 45.2297 0.0000 172.6515 20 Y 5.0773 8.0138 118.6715 55.4756 42.3080 174.9104 21 T 4.3384 8.5885 117.2602 63.6943 68.8627 175.4028 22 C 4.4869 8.5996 125.1446 56.6641 35.5286 174.3734 23 G 4.0088 9.0379 110.2358 44.4752 0.0000 172.6930 24 A 4.5861 8.2098 122.3196 52.7961 18.7986 177.4681 25 N 4.2650 9.0776 117.4426 54.2787 36.6296 175.6391 26 T 4.0487 7.8042 117.3737 65.9210 68.6461 174.1285 27 V 4.1282 7.1206 120.4612 60.0536 31.2861 173.6261 28 P 4.5010 0.0000 0.0000 63.8759 32.2092 178.1076 29 Y 5.1999 6.7636 116.0909 56.7707 38.9383 174.7907 30 Q 4.5913 6.9396 122.8623 56.2434 29.7231 175.3826 31 V 4.8384 8.9064 118.4494 59.6704 36.6414 174.0729 32 S 5.1799 8.7736 116.3708 56.6247 65.1900 172.6284 33 L 4.7192 8.7586 127.2947 53.5826 43.2455 175.0356 34 N 5.6871 9.0948 122.3935 50.3475 42.1034 174.8117 *37 S 4.4499 8.5064 120.0564 58.7434 63.6801 173.5299 38 G 4.0488 8.6233 112.4249 46.0820 0.0000 174.0816 39 Y 4.8346 6.8754 115.6897 55.1858 40.9037 173.2410 40 H 4.4014 8.9139 120.8912 56.4281 30.1618 174.7237 41 F 4.9774 8.1492 119.7049 56.6048 39.5087 173.7049 42 C 4.7015 6.7466 117.0158 55.8772 44.8831 173.2101 43 G 4.1848 8.1495 108.1914 45.4550 0.0000 172.0533 44 G 4.2511 8.0591 104.9849 45.9183 0.0000 172.6903 45 S 5.4237 8.7749 115.8346 56.3363 66.6125 173.6314 46 L 4.7333 9.2994 127.9968 54.9600 42.2946 177.2331 47 I 4.1229 8.6214 120.2199 61.4652 38.6361 174.6066 48 N 4.5212 7.6747 117.1793 52.0525 39.2685 175.0408 49 S 4.2248 8.5305 112.3567 60.8603 63.0294 175.2757 50 Q 4.5429 8.2242 117.4428 55.0237 31.3405 174.9917 51 W 5.3920 8.2628 118.8820 54.6987 33.1588 174.5908 52 V 5.0608 9.1419 123.2029 61.0541 34.6326 174.3387 53 V 4.9390 8.8644 126.6270 60.4589 34.0649 174.8837 54 S 4.6445 8.7804 117.1308 57.5436 66.0998 172.3522 55 A 4.6888 8.4827 120.7208 51.1218 19.8482 178.6749 56 A 3.8388 8.2569 123.7999 55.1833 18.5027 179.3887 57 H 4.5321 8.0572 109.6393 57.5156 28.7348 175.3941 58 C 4.7609 7.7123 117.1583 57.2889 40.3996 173.2147 59 Y 4.2272 7.7559 122.4739 57.6953 38.8187 175.2974 60 K 4.0958 6.9861 124.4233 54.8690 36.1913 175.6378 61 S 4.1631 8.0653 116.0365 58.8652 64.0084 173.9355 62 G 3.8328 8.6157 108.8694 46.5694 0.0000 173.7718 63 I 4.1453 7.5684 120.0897 61.1467 38.5311 175.0679 64 Q 4.9510 9.0484 124.6928 54.0941 32.2537 174.4874 65 V 4.6027 8.8301 123.5383 61.2298 33.9241 174.1819 66 R 4.3837 8.6984 128.8038 54.5097 31.7691 174.7703 67 L 4.8671 8.5210 125.6701 52.6881 46.1063 177.5589 *69 G 4.1928 8.5095 107.3995 44.2593 0.0000 172.2817 70 E 4.5882 7.8633 119.5359 54.0970 32.1140 174.9012 71 D 4.7417 8.9227 126.6373 57.1367 41.9796 175.6443 72 N 5.0701 8.9043 118.9783 52.7262 39.2756 175.9996 73 I 3.2263 8.7965 128.0519 63.0643 37.8638 176.4329 74 N 4.6251 7.5190 118.9253 54.6594 39.3524 176.3309 75 V 3.7385 7.6556 116.6942 61.6802 31.9020 175.3821 76 V 4.4589 7.9062 121.1994 62.3267 33.7889 174.6547 77 E 3.9490 10.0053 127.2158 57.2797 29.4319 174.4093 78 G 4.3190 8.2902 113.4736 45.2371 0.0000 175.4111 79 N 4.9678 9.0072 122.9789 52.5697 38.8911 173.6788 80 E 5.1349 7.9466 117.0809 55.7086 31.1595 176.0501 81 Q 4.7081 8.3630 118.5676 54.1945 33.0361 174.1250 82 F 5.0368 8.9906 121.5348 55.8216 41.3287 174.9313 83 I 4.6351 8.7061 124.8207 59.2110 40.5166 175.6026 84 S 4.5855 8.7774 122.7877 58.4641 64.2393 173.1956 85 A 4.5787 8.7111 126.2160 51.9267 18.2170 177.6993 86 S 4.4708 9.0621 118.2984 59.6547 64.6411 175.0283 87 K 4.7239 7.6549 118.1593 54.6303 36.6625 175.8846 88 S 5.0169 8.8045 118.6608 57.2574 66.1499 173.9316 89 I 4.3736 9.3417 128.0776 59.3751 38.3343 175.5125 90 V 4.0809 8.1851 127.1092 62.2253 32.6777 175.1567 91 H 4.2374 8.8647 127.0694 55.9407 30.1034 174.4478 92 P 4.3173 0.0000 0.0000 65.2227 31.1245 176.9990 93 S 4.7343 8.1429 113.1999 58.1236 63.6802 173.1920 94 Y 4.4937 8.2991 123.3735 57.9056 38.9800 174.5841 95 N 4.4791 8.4518 125.6620 51.5272 40.1930 174.8149 96 S 4.0495 7.8959 119.2229 58.7481 63.7049 174.3184 97 N 4.5452 8.7173 120.4801 55.7482 39.2968 175.9338 98 T 4.0949 7.9461 105.3776 61.6509 69.6314 175.3830 99 L 3.9016 8.0980 120.6627 55.0278 39.8900 173.9595 100 N 4.4363 7.7993 118.0460 54.6241 39.5034 174.4936 101 N 4.0112 8.6053 119.8646 54.7080 36.0025 175.4754 102 D 4.7005 7.9881 117.4398 53.0168 39.5419 174.7841 103 I 4.8854 7.3592 120.9463 59.4813 42.4913 172.9746 104 M 5.3518 9.1090 126.0176 54.2021 36.3668 173.1966 105 L 5.3936 9.1118 123.7807 53.0575 45.2191 175.4133 106 I 4.9193 9.1788 124.2016 59.4040 40.4180 174.2835 107 K 3.7525 8.5804 128.8324 54.4306 33.7049 175.4562 108 L 4.4913 8.2783 127.7567 54.0158 41.9959 177.1046 109 K 4.1437 8.8714 124.9847 59.0210 32.6149 176.8797 110 S 4.6545 7.7013 111.2100 55.8079 66.2312 172.9758 111 A 4.4223 8.3765 122.9415 51.9114 18.7212 177.2602 112 A 4.2676 8.6503 124.6760 51.6156 19.7049 177.4458 113 S 4.3925 8.3571 117.5140 57.9546 63.4496 174.2652 114 L 4.6020 8.5356 125.8390 54.1339 42.5498 176.3298 115 N 4.7634 8.9495 120.1171 52.5337 39.3890 175.0876 116 S 4.2412 8.7801 111.0120 61.0882 63.5682 175.0023 117 R 4.3904 8.9545 119.7050 56.3580 30.9395 175.9123 118 V 4.6169 7.7072 116.6718 61.0370 33.7100 173.6402 119 A 5.1041 8.6599 128.2929 50.5344 22.9022 175.2163 120 S 4.9922 8.6857 114.2958 57.8031 64.8705 173.0666 121 I 4.3774 8.1870 121.5980 59.1023 39.5288 175.7238 122 S 4.2896 8.4430 124.6994 58.3296 63.4611 174.2245 123 L 4.3096 8.0818 123.5539 53.3653 42.3863 175.2095 124 P 4.4651 0.0000 0.0000 63.0767 31.8653 176.4212 125 T 4.1628 8.2089 108.8582 62.2408 69.9331 174.4199 *127 S 4.2582 7.5500 115.1089 58.0490 64.0711 173.8839 128 C 4.3851 8.3684 117.8859 56.4623 40.6690 173.9381 129 A 4.2654 8.1342 126.0397 51.8971 19.0939 177.0972 130 S 4.4986 8.1311 113.9106 56.4876 65.3723 173.2440 *132 A 4.2834 8.2068 123.4905 53.5486 19.3061 176.3752 133 G 4.0822 9.1767 110.0457 45.5444 0.0000 174.6088 134 T 3.9371 7.6303 116.9612 63.9154 69.3963 173.4991 135 Q 4.7560 8.6507 127.6709 55.9752 30.1387 175.2971 136 C 5.1896 9.4951 122.7478 55.1050 45.2990 172.3720 137 L 5.1336 8.5262 121.9354 53.6602 43.4102 175.2978 138 I 4.7471 8.9142 127.9402 59.6425 39.7845 174.9917 139 S 4.8904 8.5408 119.3309 56.4551 66.5551 173.0383 140 G 3.6631 7.2533 108.1228 46.2123 0.0000 172.9762 141 W 4.6608 8.5276 116.9423 56.2744 29.3934 177.0272 142 G 4.1265 7.9543 108.5419 44.3336 0.0000 173.2921 143 N 3.3717 8.5439 117.4987 54.2283 38.8540 174.4446 144 T 5.0566 8.0760 113.3689 60.6059 69.5990 174.4435 145 K 4.6075 7.7874 121.7705 54.7692 34.6749 176.2158 146 S 4.4096 8.6583 117.3272 60.0123 63.6831 174.9532 147 S 4.8357 7.6148 115.9066 57.4887 64.0493 174.2063 148 G 3.9218 7.5629 109.3365 45.7744 0.0000 174.0987 149 T 4.5525 8.4295 120.2498 62.5048 72.3865 174.4382 150 S 4.3527 9.3894 123.3678 57.6768 64.8086 171.8323 151 Y 4.7453 8.4993 125.1983 55.9774 38.6855 174.2710 152 P 4.6193 0.0000 0.0000 62.7741 32.6698 175.7365 153 D 4.7094 8.6775 118.4560 55.8110 42.2453 176.7621 154 V 5.1473 7.6834 109.8558 58.8625 34.8094 175.7243 155 L 3.2599 8.6142 125.5299 55.3390 43.0163 176.0132 156 K 4.8947 8.2948 124.8555 54.8761 35.0902 174.5940 157 C 5.2047 8.7254 120.2159 55.1840 41.5551 172.9116 158 L 4.8438 8.4161 122.1547 53.8406 45.6373 174.3915 159 K 5.1242 8.8774 125.5221 55.2641 33.4340 175.8215 160 A 4.8668 9.0126 126.2845 49.8606 23.0468 173.3345 161 P 5.1409 0.0000 0.0000 61.8985 33.9818 175.1255 162 I 4.2782 8.3933 122.7739 61.4412 38.1024 175.6800 163 L 4.8504 8.7787 127.4542 53.4037 43.1482 177.1070 164 S 4.3096 8.5197 115.4428 58.1356 63.9660 174.7878 165 D 4.3731 8.8761 121.7151 57.6884 40.9541 178.8395 166 S 4.1164 8.0612 114.2410 61.5574 62.9620 176.2935 167 S 4.0761 8.0967 116.7819 61.0238 62.1171 175.2288 168 C 4.3054 8.4313 121.2669 59.9132 42.8109 175.8492 169 K 3.9248 8.3906 120.1498 59.5421 31.3363 179.6206 170 S 4.2082 8.0331 114.7312 61.2617 62.7678 176.2114 171 A 4.0317 7.7522 123.0031 53.7906 19.7478 177.4061 172 Y 4.7050 7.8867 114.6683 54.7444 38.1908 172.2998 173 P 4.4821 0.0000 0.0000 63.2437 32.2176 176.7049 174 G 4.0341 9.0129 109.8615 46.4318 0.0000 173.8938 175 Q 4.4822 8.0075 116.9872 55.0339 30.9457 175.6734 176 I 4.1343 7.7987 119.1517 60.1798 37.8794 175.6817 177 T 4.4465 8.1379 116.2155 59.9489 70.4317 175.5135 178 S 4.3656 8.5120 115.0596 60.1906 63.0456 174.3902 179 N 4.9403 7.9496 117.9288 53.2162 38.4852 174.2726 180 M 4.9645 7.8264 116.7614 53.7200 35.9887 174.6134 181 F 5.0322 7.9418 114.0933 55.8159 41.1223 174.2831 182 C 5.0164 8.8135 118.8728 55.9611 37.2543 172.4736 183 A 5.3826 7.6681 121.4089 50.4725 22.6718 176.5167 *1184 G 4.3562 8.5232 106.7257 46.6366 0.0000 172.7657 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 16 I 7.88 4.06 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.81 0.00 0.00 17 V 8.21 4.35 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 0.76 0.00 0.00 0.94 0.00 0.00 18 G 9.05 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 19 G 7.74 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 0.00 0.00 0.00 0.00 20 Y 8.01 5.08 0.00 3.03 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 21 T 8.59 4.34 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 1.24 0.00 0.00 22 C 8.60 4.49 0.00 2.77 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 23 G 9.04 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 0.00 0.00 0.00 24 A 8.21 4.59 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 25 N 9.08 4.26 0.00 2.89 3.05 0.00 0.00 7.05 7.54 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 26 T 7.80 4.05 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 1.23 0.00 0.00 27 V 7.12 4.13 1.70 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 0.10 0.00 0.00 0.74 0.00 0.00 28 P 0.00 4.50 0.00 2.37 2.41 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 29 Y 6.76 5.20 0.00 3.23 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 6.94 4.59 0.00 1.71 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 1.68 2.30 0.00 31 V 8.91 4.84 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 0.89 0.00 0.00 1.00 0.00 0.00 32 S 8.77 5.18 0.00 3.44 3.32 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 33 L 8.76 4.72 0.00 0.57 1.10 0.78 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.09 5.69 0.00 2.72 2.89 0.00 0.00 6.67 7.62 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 *37 S 8.51 4.45 0.00 3.62 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 38 G 8.62 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 0.00 0.00 0.00 39 Y 6.88 4.83 0.00 3.07 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 40 H 8.91 4.40 0.00 2.97 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.15 4.98 0.00 3.11 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 42 C 6.75 4.70 0.00 1.91 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 43 G 8.15 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.77 5.42 0.00 3.78 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 46 L 9.30 4.73 0.00 1.81 1.65 1.07 0.75 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 47 I 8.62 4.12 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.92 0.94 0.00 0.00 48 N 7.67 4.52 0.00 2.93 2.99 0.00 0.00 6.01 7.64 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 49 S 8.53 4.22 0.00 4.05 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 0.00 50 Q 8.22 4.54 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 51 W 8.26 5.39 0.00 3.25 3.10 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 52 V 9.14 5.06 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 1.10 0.00 0.00 0.96 0.00 0.00 53 V 8.86 4.94 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 0.83 0.00 0.00 1.03 0.00 0.00 54 S 8.78 4.64 0.00 3.86 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 55 A 8.48 4.69 1.11 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 56 A 8.26 3.84 0.44 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 57 H 8.06 4.53 0.00 3.41 3.59 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.71 4.76 0.00 3.19 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.76 4.23 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.99 4.10 0.00 1.41 1.26 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.01 1.23 7.81 61 S 8.07 4.16 0.00 3.94 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 62 G 8.62 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 63 I 7.57 4.15 1.85 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 1.50 0.78 0.93 0.00 0.00 64 Q 9.05 4.95 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 65 V 8.83 4.60 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 0.95 0.00 0.00 0.89 0.00 0.00 66 R 8.70 4.38 0.00 0.97 1.31 0.00 2.59 0.00 0.00 2.72 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.52 0.00 67 L 8.52 4.87 0.00 1.58 1.52 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.51 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 70 E 7.86 4.59 0.00 1.93 1.74 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 2.17 2.64 0.00 71 D 8.92 4.74 0.00 2.71 2.79 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 72 N 8.90 5.07 0.00 2.89 2.80 0.00 0.00 6.76 8.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.80 3.23 0.59 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.38 0.81 0.00 0.00 74 N 7.52 4.63 0.00 2.91 2.84 0.00 0.00 6.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.66 3.74 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 0.70 0.00 0.00 0.94 0.00 0.00 76 V 7.91 4.46 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 77 E 10.01 3.95 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 78 G 8.29 4.32 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 0.00 79 N 9.01 4.97 0.00 2.86 2.85 0.00 0.00 7.00 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 80 E 7.95 5.13 0.00 1.91 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 2.34 2.17 0.00 81 Q 8.36 4.71 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 82 F 8.99 5.04 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.71 4.64 1.84 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 1.24 0.74 0.92 0.00 0.00 84 S 8.78 4.59 0.00 3.76 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 85 A 8.71 4.58 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 86 S 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0.00 0.00 111 A 8.38 4.42 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 8.65 4.27 1.23 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 0.00 113 S 8.36 4.39 0.00 3.80 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 0.00 114 L 8.54 4.60 0.00 1.65 1.70 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.95 4.76 0.00 2.86 2.90 0.00 0.00 6.48 7.56 0.00 0.00 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 S 8.78 4.24 0.00 4.01 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 0.00 117 R 8.95 4.39 0.00 1.99 2.15 0.00 3.07 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.55 0.00 118 V 7.71 4.62 2.22 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 1.03 0.00 0.00 0.93 0.00 0.00 119 A 8.66 5.10 1.27 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1.41 7.81 146 S 8.66 4.41 0.00 3.97 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 0.00 147 S 7.61 4.84 0.00 3.83 3.86 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 0.00 148 G 7.56 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 0.00 149 T 8.43 4.55 4.29 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 1.41 0.00 0.00 150 S 9.39 4.35 0.00 3.80 3.62 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 0.00 151 Y 8.50 4.75 0.00 2.97 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 0.00 152 P 0.00 4.62 0.00 2.46 2.09 0.00 4.09 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 2.18 2.03 0.00 153 D 8.68 4.71 0.00 2.68 2.79 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 0.00 154 V 7.68 5.15 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 0.75 0.00 0.00 0.97 0.00 0.00 155 L 8.61 3.26 0.00 1.34 1.29 -0.67 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.29 4.89 0.00 1.64 1.49 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 157 C 8.73 5.20 0.00 1.85 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.42 4.84 0.00 1.63 1.37 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.88 5.12 0.00 1.76 1.79 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.47 7.81 160 A 9.01 4.87 1.23 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 0.00 161 P 0.00 5.14 0.00 2.15 2.28 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 162 I 8.39 4.28 1.83 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.91 0.00 0.00 163 L 8.78 4.85 0.00 1.59 1.64 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.52 4.31 0.00 4.02 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 0.00 165 D 8.88 4.37 0.00 2.84 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 0.00 166 S 8.06 4.12 0.00 4.10 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 0.00 167 S 8.10 4.08 0.00 3.95 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 0.00 168 C 8.43 4.31 0.00 3.28 3.33 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 0.00 169 K 8.39 3.92 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.66 7.81 170 S 8.03 4.21 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 0.00 171 A 7.75 4.03 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 0.00 172 Y 7.89 4.70 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.48 0.00 2.06 2.03 0.00 3.88 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 174 G 9.01 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 0.00 0.00 0.00 175 Q 8.01 4.48 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 176 I 7.80 4.13 1.93 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 1.76 0.89 0.96 0.00 0.00 177 T 8.14 4.45 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 1.21 0.00 0.00 178 S 8.51 4.37 0.00 4.02 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 0.00 179 N 7.95 4.94 0.00 2.78 2.87 0.00 0.00 6.71 7.42 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 0.00 180 M 7.83 4.96 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 181 F 7.94 5.03 0.00 3.05 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 0.00 182 C 8.81 5.02 0.00 3.02 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 0.00 183 A 7.67 5.38 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 *1184 G 8.52 4.36 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 0.00 * Residues marked with a * may have inaccurate shift predictions.