NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 P 4.2994 0.0000 0.0000 62.4193 32.5487 175.5681 -2 L 4.3272 8.2085 122.2227 52.4967 43.5302 174.6811 -1 G 3.9360 8.4418 116.0600 45.0723 0.0000 171.7208 0 S 4.7419 8.1825 113.7492 57.1167 65.9906 174.7979 1 M 4.1169 8.5233 122.5707 58.7577 32.0338 178.2150 2 E 4.1769 8.2729 119.0335 59.5861 29.9825 178.3374 3 D 4.4139 8.2012 118.9245 57.2593 40.8049 178.5410 4 F 3.9360 8.3504 121.1110 61.2146 39.4074 177.2493 5 V 3.6447 8.1734 117.9702 66.3403 31.1249 178.3248 6 R 4.0450 7.9576 115.9831 58.9677 29.8949 178.6653 7 Q 4.0512 7.5627 117.4266 58.5836 28.9155 177.4299 8 C 3.7297 8.0385 119.0804 59.8995 31.8263 173.4004 9 F 4.6781 7.0212 117.7888 54.8319 41.2497 175.4761 10 N 4.3925 8.5458 121.2715 53.4712 40.6364 174.4486 11 P 4.3885 0.0000 0.0000 65.1808 31.4680 178.8151 12 M 3.9817 8.0815 117.3411 58.5731 32.2776 177.8302 13 I 3.6365 7.6727 119.4770 64.4888 37.2319 178.4241 14 V 3.5746 7.8024 118.8580 66.0038 31.3388 177.6797 15 E 4.2400 8.4994 120.8231 58.8357 29.4125 178.7825 16 L 4.0352 8.5859 119.2879 57.5847 41.6824 179.2700 17 A 4.0845 8.6610 121.2004 55.2216 18.3402 179.4015 18 E 3.8934 8.6885 117.3661 59.6585 29.6351 179.7792 19 K 4.0740 8.3643 118.2623 59.5775 31.3568 179.3414 20 A 4.1584 8.3985 121.0785 55.2823 18.3069 179.6594 21 M 4.4154 8.1723 117.4391 58.4715 32.0327 179.0734 22 K 4.0683 8.4704 119.2750 59.2036 32.0187 178.7967 23 E 4.0042 8.1173 115.4393 58.2053 29.7749 176.8896 24 Y 4.3069 7.4994 117.1033 57.2234 38.0936 176.1960 25 G 3.9616 8.7290 107.8310 46.0141 0.0000 174.2683 26 E 4.1853 8.0131 118.6113 55.8687 30.2747 175.6213 27 D 4.8445 8.2807 120.4887 51.6513 42.2404 174.9935 28 P 3.7800 0.0000 0.0000 65.6167 31.2985 178.6402 29 K 4.2679 7.8230 115.5842 58.6317 32.3289 178.7485 30 I 4.1387 7.1579 119.1429 62.8511 39.2904 177.3575 31 E 4.4700 7.9963 120.8608 55.9236 26.2356 177.5458 32 T 4.2909 7.5605 118.6664 66.7732 69.2204 176.6651 33 N 4.6533 8.2330 118.1337 56.1324 38.5724 177.2319 34 K 4.0372 8.1461 120.8214 59.2089 32.3230 178.5421 35 F 4.4248 8.4000 120.9871 61.3337 39.3572 176.9484 36 A 3.7219 8.2599 120.1740 55.0929 18.0733 179.4837 37 A 4.3338 8.6213 119.5054 55.4233 18.4230 179.9774 38 I 3.7003 8.1901 118.6435 64.7392 37.1522 178.3819 39 C 3.8030 7.7215 117.5086 62.9244 27.7115 176.3237 40 T 4.0465 7.5965 117.1656 67.0063 68.1101 176.1839 41 H 4.1520 8.5409 120.2509 59.2129 29.9364 177.1734 42 L 4.0378 8.1710 120.9520 57.7926 41.4125 179.1887 43 E 4.0920 8.4924 119.2508 59.4038 29.5938 178.8488 44 V 3.4859 7.8952 118.2671 66.3167 31.5733 177.7358 45 C 3.9556 8.0951 116.2499 62.9035 27.7143 176.2036 46 F 4.0888 8.0272 118.1233 60.7086 38.5248 177.3994 47 M 4.2580 8.1126 117.9584 58.3617 31.8142 177.8288 48 Y 3.9419 8.1032 119.4711 59.7249 39.1157 176.1280 49 S 4.2175 7.3493 114.7703 58.5462 63.6770 172.7022 *74 H 4.5675 8.1804 117.7269 55.5532 29.8241 173.9017 75 R 4.0173 8.6742 121.1194 59.1824 30.8348 176.0171 76 F 5.3475 8.1544 116.1165 55.6272 41.2158 174.8523 77 E 4.5635 9.3225 125.7335 55.3383 30.9649 175.2387 78 I 4.3894 8.4990 128.2583 60.8323 38.3479 174.8802 79 I 4.2102 8.5539 125.6887 62.6173 38.8400 175.9470 80 E 3.8994 7.9463 119.0313 57.9033 29.5845 177.0614 81 G 4.0346 8.8410 112.2069 45.8099 0.0000 173.6526 82 R 4.3755 7.4091 117.8777 54.5460 31.4557 176.3062 83 D 4.3302 8.6949 118.1530 55.3348 41.9847 177.5906 84 R 3.8396 8.9298 125.8161 60.0804 30.1214 179.0195 85 T 3.9949 7.9605 114.4963 67.0268 68.6387 176.6553 86 M 4.0927 8.8535 120.7727 58.1821 31.9194 178.2942 87 A 3.9392 8.7147 121.6590 55.4355 18.4996 179.8156 88 W 4.2125 8.3583 117.2505 60.0002 29.0940 178.9517 89 T 3.9989 8.2530 110.1691 64.7531 68.2036 176.9386 90 V 3.6608 8.4925 122.5846 64.4148 31.1342 178.4301 91 V 3.6274 7.7591 117.9738 65.8076 31.4791 177.2294 92 N 4.5380 8.6367 115.0235 56.4469 38.5860 176.9252 93 S 4.2587 8.2657 114.2732 63.1507 62.7701 174.0985 94 I 4.1897 7.9230 120.8859 60.2127 37.3809 176.7289 95 C 4.7645 8.8606 120.2991 61.4446 27.1350 173.8117 96 N 4.7934 10.1924 111.8107 53.2172 37.8455 175.6537 97 T 4.2803 7.4953 115.3353 64.2607 69.2629 174.2815 98 T 4.7386 7.5177 109.7371 58.9812 71.6554 174.3184 99 G 3.7038 8.5964 110.1914 47.8857 0.0000 174.5605 100 V 3.6955 7.4368 120.8482 62.6578 31.9859 175.1356 101 E 4.2965 8.6869 127.5840 55.8312 30.1803 176.3226 102 K 4.1749 8.4991 124.1900 55.5173 32.3808 175.5150 103 P 4.3656 0.0000 0.0000 62.6717 31.8509 176.8972 104 K 3.9939 8.5588 120.6871 58.5006 32.3012 177.5016 105 F 5.2004 7.5943 114.7389 54.8504 42.4600 174.6602 106 L 3.1713 8.4961 123.1065 54.4832 41.6776 176.0288 107 P 4.8616 0.0000 0.0000 61.3774 33.5507 175.0541 108 D 4.6068 8.7800 116.8104 56.4448 42.1605 176.9301 109 L 5.4093 7.7333 115.7749 53.2078 47.2702 174.5821 110 Y 4.8577 8.8422 121.0190 55.9005 41.7611 173.9210 111 D 4.1615 7.9588 127.1791 52.9487 41.3021 176.3392 112 Y 4.0899 8.0744 125.0896 60.5017 37.9739 178.1947 113 K 4.0083 8.0324 119.7796 59.1589 32.5247 177.3423 114 E 4.0847 8.2505 114.6474 56.0445 30.1345 176.1517 115 N 4.1751 7.7701 115.5622 51.9647 36.6446 173.1087 116 R 4.6136 5.9923 112.8221 54.9723 33.5664 176.2321 117 F 5.0182 8.6513 118.5613 57.6319 40.8159 174.5405 118 I 5.1829 8.8629 120.8040 59.7669 41.1833 174.1608 119 E 4.8184 9.2729 126.1705 54.8140 31.5131 174.8841 120 I 4.7038 8.9583 126.6424 59.7817 38.7807 175.6208 121 G 4.5095 9.1922 113.4424 44.3841 0.0000 171.7553 122 V 4.9212 8.3299 121.3921 61.0270 33.8490 174.4986 123 T 4.5831 8.5147 122.2079 60.3228 69.9884 174.9142 124 R 4.5490 9.7749 126.0362 57.8237 31.1760 177.7897 125 R 4.6868 7.8297 119.6625 55.7806 30.9432 175.8346 126 E 4.3944 8.6427 121.0853 56.9008 31.4381 177.8286 127 V 3.8011 8.4720 117.5276 64.6840 31.6318 178.4786 128 H 4.2146 8.3048 117.5930 59.5476 29.8253 177.2280 129 T 3.8173 7.9752 116.9410 66.9201 68.4315 175.8150 130 Y 3.9037 8.1567 121.3546 60.6631 38.4930 176.9840 131 Y 4.0523 8.5713 121.0336 61.1518 38.8043 178.4818 132 L 4.0538 8.0956 119.4102 57.7164 41.7211 179.4571 133 E 3.7725 8.0787 118.4944 59.2675 29.4287 179.3054 134 K 3.6839 7.7220 119.2729 59.3565 32.2087 178.6120 135 A 3.8297 7.8814 121.2792 55.1593 18.0417 179.1175 136 N 4.3291 7.8627 114.5093 56.0799 39.0316 177.0300 137 K 4.0746 7.6108 120.9345 59.3360 32.5095 178.4604 138 I 4.3677 7.7629 110.9535 60.5633 38.3567 176.0348 139 K 3.6674 7.9882 112.9675 57.9535 28.9931 174.1171 140 S 4.6112 7.8270 115.7751 57.9374 63.4939 174.4260 141 E 4.3319 8.5119 127.8870 57.8303 30.2724 177.5030 142 K 4.4453 7.9486 116.5375 57.5881 33.9852 176.9105 143 T 4.3806 7.8047 115.5014 63.6161 69.0697 174.2390 144 H 4.4615 9.6535 127.3942 56.0469 31.5299 173.7706 145 I 4.9360 8.9753 126.0787 59.7794 40.1496 174.1629 146 H 5.1597 9.2043 125.7538 54.7181 32.9874 171.7010 147 I 4.9933 9.1142 127.5069 59.7400 39.5177 175.1127 148 F 5.4737 9.2948 125.5190 55.8418 42.2700 174.5740 149 S 5.5750 8.5301 115.0412 55.7715 65.8834 173.7051 150 F 4.6837 9.2458 116.4552 57.6735 39.1366 176.7836 151 T 4.6673 8.5203 108.4564 61.3086 68.7978 175.2823 152 G 3.9859 8.7359 109.6667 45.5447 0.0000 173.5347 153 E 4.5594 7.9521 121.2655 55.7079 31.0961 174.8661 154 E 5.2794 8.6167 122.2192 55.1601 33.5495 174.1109 155 M 4.9930 9.1884 119.4595 54.2303 36.3374 173.4791 156 A 5.0528 7.9942 125.3957 49.8806 23.4916 175.4278 157 T 3.9816 8.6719 116.2492 64.5760 68.8770 174.9055 158 K 3.8701 9.1692 123.3933 56.7598 29.7611 174.8373 159 A 3.5325 7.4292 118.1424 53.2899 16.5972 177.6277 160 D 4.8920 7.9005 119.0649 54.3756 42.5660 175.1031 161 Y 4.2374 8.7300 123.0769 57.3643 38.8751 176.3110 162 T 3.7516 8.0593 121.3048 64.5782 67.7576 172.2910 163 L 4.6011 7.5222 118.9853 53.0262 43.5337 176.7602 164 D 4.6197 8.2768 121.1107 53.4326 41.4032 177.3752 165 E 4.0116 8.5909 119.1957 59.3670 29.3190 179.5427 166 E 3.9510 8.1491 118.5041 59.3221 29.5700 178.9693 167 S 4.0655 8.5836 113.4005 61.3962 62.4057 176.4657 168 R 3.9343 8.0252 120.5938 59.1448 29.8436 178.8109 169 A 4.0476 8.1762 120.6441 55.1708 18.4147 179.9575 170 R 3.8447 7.7800 116.3715 59.2874 30.1241 179.3489 171 I 3.5186 7.3390 119.6704 64.3767 37.0148 178.6613 172 K 3.9393 8.3025 119.6583 59.6595 31.8212 179.1321 173 T 3.9107 7.9908 113.0843 64.4038 67.2064 176.6780 174 R 3.8978 7.8284 120.6864 59.3678 30.1343 178.4816 175 L 4.0830 8.0850 118.8695 57.5977 41.5675 179.2690 176 F 4.0304 8.6774 118.1975 61.0451 38.8374 177.9410 177 T 3.9234 7.9764 115.0826 66.6160 68.2308 176.8324 178 I 3.7962 8.0222 121.8535 64.5398 37.1181 178.4670 179 R 3.5697 8.2020 119.3619 59.4373 29.7185 178.6244 180 Q 3.7410 7.9616 117.8373 58.8032 28.2820 178.4921 181 E 3.9802 8.5384 120.1237 59.6974 29.4935 179.3656 182 M 3.6294 8.1197 118.5988 58.0345 32.0875 178.6031 183 A 4.0635 8.1667 121.5228 55.1797 18.3164 179.8302 184 S 4.1622 8.2475 111.8280 60.6894 63.1328 175.8392 185 R 4.4792 7.3132 118.1857 55.1720 30.4395 177.0023 186 G 3.9490 7.6597 106.5874 46.3243 0.0000 175.1233 187 L 4.2484 7.9014 121.1897 56.0691 41.9040 178.6942 188 W 4.2219 8.1141 128.2150 60.5491 30.6196 177.0776 189 D 4.1744 8.2506 118.2479 57.7987 40.3008 179.0433 190 S 3.9747 7.8311 112.5429 61.0835 62.3096 175.4298 191 F 4.1052 7.6489 122.2702 61.3948 39.2917 176.7439 192 R 3.1021 7.4921 118.0691 59.4142 29.5576 178.4197 193 Q 3.9252 7.5649 116.4937 58.7756 28.7551 178.7165 194 S 4.2632 7.6709 113.3045 58.6174 63.4978 174.1197 195 E 3.8340 7.1653 124.5271 56.2835 29.7014 176.5847 196 R 4.4160 8.3621 125.4834 54.9849 32.3606 176.6113 197 G 4.0933 8.3386 106.6741 46.0943 0.0000 173.4291 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 -3 P 0.00 4.30 0.00 2.20 2.13 0.00 3.68 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 1.89 1.97 0.00 -2 L 8.21 4.33 0.00 1.64 1.58 0.92 0.75 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 -1 G 8.44 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 0 S 8.18 4.74 0.00 4.11 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 1 M 8.52 4.12 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.85 0.00 2 E 8.27 4.18 0.00 2.23 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 2.56 2.73 0.00 3 D 8.20 4.41 0.00 2.94 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 4 F 8.35 3.94 0.00 3.20 3.27 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 5 V 8.17 3.64 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 0.08 0.00 0.00 0.88 0.00 0.00 6 R 7.96 4.04 0.00 1.86 2.02 0.00 3.30 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 7 Q 7.56 4.05 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 8 C 8.04 3.73 0.00 1.44 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 0.00 0.00 0.00 9 F 7.02 4.68 0.00 2.94 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 10 N 8.55 4.39 0.00 2.80 2.68 0.00 0.00 7.07 7.71 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 11 P 0.00 4.39 0.00 2.20 2.09 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 12 M 8.08 3.98 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 13 I 7.67 3.64 2.04 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 1.45 0.69 0.85 0.00 0.00 14 V 7.80 3.57 2.27 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 1.31 0.00 0.00 1.05 0.00 0.00 15 E 8.50 4.24 0.00 2.16 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 2.34 2.25 0.00 16 L 8.59 4.04 0.00 1.89 1.82 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.66 4.08 1.51 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 18 E 8.69 3.89 0.00 2.26 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 2.31 2.86 0.00 19 K 8.36 4.07 0.00 1.95 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.65 7.81 20 A 8.40 4.16 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.17 4.42 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.65 0.00 22 K 8.47 4.07 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.70 7.81 23 E 8.12 4.00 0.00 1.98 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 2.56 2.39 0.00 24 Y 7.50 4.31 0.00 3.27 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 25 G 8.73 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.01 4.19 0.00 2.04 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 2.35 2.30 0.00 27 D 8.28 4.84 0.00 2.64 2.45 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 28 P 0.00 3.78 0.00 1.52 0.49 0.00 3.45 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 29 K 7.82 4.27 0.00 1.72 1.93 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.51 7.81 30 I 7.16 4.14 1.85 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 1.51 0.39 0.91 0.00 0.00 31 E 8.00 4.47 0.00 2.11 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 2.27 2.47 0.00 32 T 7.56 4.29 4.34 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 1.41 0.00 0.00 33 N 8.23 4.65 0.00 2.82 3.06 0.00 0.00 6.79 8.11 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 34 K 8.15 4.04 0.00 1.86 2.06 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.51 7.81 35 F 8.40 4.42 0.00 3.15 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 36 A 8.26 3.72 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 37 A 8.62 4.33 1.58 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 0.00 0.00 38 I 8.19 3.70 2.15 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 1.56 0.68 0.99 0.00 0.00 39 C 7.72 3.80 0.00 1.79 1.18 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 40 T 7.60 4.05 4.67 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 1.43 0.00 0.00 41 H 8.54 4.15 0.00 3.29 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 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0.00 2.84 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.24 0.00 108 D 8.78 4.61 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.73 5.41 0.00 1.57 1.72 0.44 0.65 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 0.00 110 Y 8.84 4.86 0.00 2.89 2.46 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 0.00 0.00 0.00 0.00 111 D 7.96 4.16 0.00 2.78 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 0.00 0.00 0.00 0.00 112 Y 8.07 4.09 0.00 2.99 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 0.00 113 K 8.03 4.01 0.00 1.59 1.79 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 114 E 8.25 4.08 0.00 1.93 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 2.25 2.48 0.00 115 N 7.77 4.18 0.00 2.79 2.85 0.00 0.00 6.76 7.58 0.00 0.00 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0.00 0.00 0.00 1.20 0.00 0.00 124 R 9.77 4.55 0.00 1.53 1.64 0.00 2.43 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.39 0.00 125 R 7.83 4.69 0.00 1.85 1.84 0.00 3.18 0.00 0.00 3.21 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 126 E 8.64 4.39 0.00 2.09 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 2.45 2.46 0.00 127 V 8.47 3.80 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 0.85 0.00 0.00 1.05 0.00 0.00 128 H 8.30 4.21 0.00 3.25 3.36 0.00 5.87 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 0.00 129 T 7.98 3.82 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 1.24 0.00 0.00 130 Y 8.16 3.90 0.00 3.16 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 0.00 131 Y 8.57 4.05 0.00 3.24 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 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0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.51 4.33 0.00 2.00 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 2.29 2.28 0.00 142 K 7.95 4.45 0.00 1.82 1.93 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 143 T 7.80 4.38 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 1.31 0.00 0.00 144 H 9.65 4.46 0.00 3.24 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.98 4.94 1.54 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.34 0.61 0.00 0.00 146 H 9.20 5.16 0.00 3.21 3.06 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 9.11 4.99 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.24 1.00 0.00 0.00 148 F 9.29 5.47 0.00 2.97 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 0.00 149 S 8.53 5.58 0.00 4.01 3.96 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 0.00 0.00 0.00 150 F 9.25 4.68 0.00 3.20 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 0.00 151 T 8.52 4.67 4.39 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 1.33 0.00 0.00 152 G 8.74 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 0.00 0.00 0.00 153 E 7.95 4.56 0.00 2.16 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 2.44 2.37 0.00 154 E 8.62 5.28 0.00 1.94 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 2.50 0.00 155 M 9.19 4.99 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 156 A 7.99 5.05 0.32 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 0.00 157 T 8.67 3.98 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 1.19 0.00 0.00 158 K 9.17 3.87 0.00 1.90 1.88 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.42 7.81 159 A 7.43 3.53 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 0.00 160 D 7.90 4.89 0.00 2.62 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 0.00 161 Y 8.73 4.24 0.00 3.00 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 0.00 162 T 8.06 3.75 4.53 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 1.60 0.00 0.00 163 L 7.52 4.60 0.00 1.53 1.47 -0.22 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.28 4.62 0.00 2.90 2.82 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 0.00 165 E 8.59 4.01 0.00 1.97 2.01 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 2.37 2.30 0.00 166 E 8.15 3.95 0.00 2.08 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 2.38 2.34 0.00 167 S 8.58 4.07 0.00 3.84 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 0.00 168 R 8.03 3.93 0.00 1.97 2.11 0.00 3.63 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 169 A 8.18 4.05 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 R 7.78 3.84 0.00 1.99 1.93 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 171 I 7.34 3.52 1.61 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 -0.05 0.00 0.00 172 K 8.30 3.94 0.00 1.68 1.80 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.75 7.81 173 T 7.99 3.91 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 1.30 0.00 0.00 174 R 7.83 3.90 0.00 2.04 2.01 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 175 L 8.09 4.08 0.00 1.89 1.45 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 176 F 8.68 4.03 0.00 3.27 3.15 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 0.00 0.00 0.00 0.00 177 T 7.98 3.92 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 1.21 0.00 0.00 178 I 8.02 3.80 2.36 0.00 0.00 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 1.35 0.82 1.24 0.00 0.00 179 R 8.20 3.57 0.00 1.56 1.83 0.00 2.59 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 180 Q 7.96 3.74 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 181 E 8.54 3.98 0.00 2.16 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 0.00 2.52 2.52 0.00 182 M 8.12 3.63 0.00 1.84 2.10 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.13 0.00 183 A 8.17 4.06 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 0.00 184 S 8.25 4.16 0.00 4.01 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 0.00 185 R 7.31 4.48 0.00 1.88 1.99 0.00 3.51 0.00 0.00 3.44 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 186 G 7.66 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 0.00 187 L 7.90 4.25 0.00 1.74 1.51 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 188 W 8.11 4.22 0.00 3.39 3.06 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 0.00 189 D 8.25 4.17 0.00 2.73 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 0.00 190 S 7.83 3.97 0.00 3.84 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 0.00 191 F 7.65 4.11 0.00 2.83 2.88 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 0.00 192 R 7.49 3.10 0.00 0.67 1.35 0.00 3.12 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 193 Q 7.56 3.93 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 194 S 7.67 4.26 0.00 3.97 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 0.00 195 E 7.17 3.83 0.00 1.69 1.77 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 2.35 2.27 0.00 196 R 8.36 4.42 0.00 1.79 1.83 0.00 3.18 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 197 G 8.34 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 * Residues marked with a * may have inaccurate shift predictions.