NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4304 8.1814 115.2959 58.7750 64.0123 173.8605 4 G 3.9245 8.2051 119.7039 46.8308 0.0000 172.6766 5 N 4.4222 9.2750 125.4068 52.7558 39.5891 172.9366 6 A 4.0229 7.8437 123.2829 51.1315 18.7519 177.1418 7 R 4.6138 8.1133 121.6549 54.2781 32.9357 175.7050 8 I 4.0287 8.3281 124.0077 62.9915 37.4824 176.5749 9 G 3.9694 9.1269 113.5899 45.0203 0.0000 172.9453 10 K 4.7311 7.6441 118.4514 53.2676 36.1284 173.8339 11 P 4.7726 0.0000 0.0000 63.1260 31.6806 176.3762 12 A 4.1031 9.1395 126.6758 51.0113 19.2092 175.7783 13 P 4.0403 0.0000 0.0000 62.8986 31.7404 176.3213 14 D 4.5227 8.5143 122.7722 54.2884 42.2160 173.9691 15 F 5.1057 7.2975 115.4905 56.0504 41.1099 172.7250 16 K 5.4179 8.7067 117.1905 55.5872 35.4939 175.2648 17 A 4.7969 9.3200 123.4620 50.6940 23.4542 175.0908 18 T 4.5955 8.3906 115.6967 63.2348 69.9511 174.0384 19 A 5.1553 9.2703 126.9478 50.0960 23.6383 174.6868 20 V 4.6520 8.6369 119.6498 61.8141 33.3275 175.1277 21 V 4.4355 8.7566 128.0193 61.4860 34.5880 175.0515 22 D 4.3624 9.9741 128.4511 55.5255 38.3507 174.7780 23 G 3.8511 8.7738 104.0649 45.5010 0.0000 173.3642 24 A 4.4581 7.8305 121.5459 49.8629 22.4306 175.1494 25 F 5.4903 8.0790 117.9913 57.0181 40.2031 175.6448 26 K 4.6992 9.1233 123.3572 54.8496 36.1582 174.3219 27 E 4.7308 8.7767 126.7789 55.7173 30.6995 175.5633 28 V 4.6064 9.2477 126.6313 61.0660 34.7997 174.2773 29 K 4.9472 8.5911 126.0321 54.4149 35.7733 177.2371 30 L 3.6956 7.6109 126.4574 58.0589 42.0192 179.2503 31 S 4.3414 7.6160 110.9423 60.3703 62.8139 175.0197 32 D 4.2952 7.7964 120.7556 56.7339 40.8531 176.5564 33 Y 4.3885 8.2860 116.6223 57.1886 38.0382 175.1508 34 K 4.0316 7.8595 121.4121 58.3278 32.4792 176.7603 35 G 4.1017 9.3554 114.8994 44.7267 0.0000 173.2205 36 K 4.9900 8.0911 118.0285 54.5924 36.3956 175.4528 37 Y 4.4910 8.9480 119.6998 57.9449 39.6203 174.8791 38 V 4.7669 8.9629 121.6007 61.1972 35.2645 174.4364 39 V 4.5994 8.7676 128.3259 61.3727 33.0463 174.1581 40 L 4.7992 8.9024 132.5132 53.5521 43.4924 174.9733 41 F 5.4504 8.6838 122.6332 55.1147 39.5223 174.6014 42 F 5.0873 9.7394 122.6965 56.7915 40.7379 174.3584 43 Y 5.2698 8.3443 119.2107 55.2538 40.8544 173.7366 44 P 4.3675 0.0000 0.0000 64.7596 31.8951 176.7386 45 L 4.7412 7.6354 117.2013 52.3402 45.5282 175.4693 46 D 3.3700 9.4216 123.5607 55.1763 41.2427 176.2729 47 F 2.9603 4.0000 117.2705 58.7475 36.8383 175.7304 48 T 3.6287 7.1286 111.6898 61.0125 69.6728 172.3548 49 F 4.8356 7.9681 114.3962 59.6742 41.3054 179.6045 50 V 3.9146 7.7042 119.9697 62.2127 30.9217 176.2141 *52 P 3.9948 0.0000 0.0000 62.3578 33.3162 178.5009 53 T 3.8900 7.8253 109.4807 64.5039 68.4020 176.4948 54 E 3.8201 8.0121 120.8730 59.1496 29.5965 179.1124 55 I 3.8568 7.5308 119.3018 64.5179 37.1432 178.4409 56 I 3.5837 8.0413 120.8077 64.2277 36.7592 178.3824 57 A 3.8856 7.9632 121.6168 55.1630 17.9357 179.7602 58 F 4.0291 7.9756 115.6244 60.4820 39.2220 177.5849 59 S 4.2924 8.3867 112.9952 61.6232 62.0314 176.0127 60 N 4.4126 8.3596 118.1476 55.6770 38.6303 176.5814 61 R 4.5198 7.6247 116.9684 55.9754 30.4203 177.7951 62 A 4.2553 8.0437 123.5403 55.6257 18.2781 180.0529 63 E 4.0348 8.2635 116.2707 59.2801 29.3574 178.9657 64 D 4.3978 8.1466 119.1332 57.2279 40.8231 178.8365 65 F 4.0940 8.2814 117.7869 60.7439 39.0733 177.8474 66 R 4.2722 8.4680 119.3072 58.6295 29.6079 179.0036 67 K 3.9718 8.4635 119.0273 58.9644 32.1895 177.7877 68 L 4.4940 7.2410 117.0048 53.8602 42.0572 176.6099 69 G 3.9360 8.4964 107.8908 46.8642 0.0000 172.5730 70 C 5.5400 8.3700 119.4631 57.2735 34.5859 172.1971 71 E 4.8303 9.3519 125.7713 54.7340 31.7426 174.8711 72 V 4.5101 8.2209 123.4032 61.2708 33.3951 174.7735 73 L 4.5703 8.7651 127.5066 52.8048 45.0662 175.8055 74 G 3.3257 8.1687 110.6339 44.1460 0.0000 172.7070 75 V 4.8710 7.7066 120.5898 59.9636 35.1042 173.8416 76 S 4.7817 8.1967 117.2730 56.5118 66.9192 175.0253 77 V 3.7928 8.2367 111.5780 62.8301 31.6102 176.6290 78 D 4.5574 7.6875 120.6772 53.7954 41.4116 176.1019 79 S 4.4289 8.2111 116.8248 57.7682 65.5986 175.1387 80 Q 3.8377 8.0752 119.7660 58.8858 28.2681 178.3578 81 F 4.3783 7.7871 119.7991 60.7205 39.0822 177.6048 82 T 4.1267 8.1534 115.5341 66.9021 68.1893 176.4108 83 H 4.6954 8.3771 119.5794 58.4322 28.7208 177.5435 84 L 4.0540 8.3849 121.7797 58.2343 41.6213 178.8635 85 A 4.1746 8.4038 120.8058 54.9029 18.3317 179.4812 86 W 3.9693 8.4595 127.0601 60.6690 30.4746 178.4750 87 I 3.6612 8.2286 120.0815 64.1422 36.3236 177.3873 88 N 4.5497 8.3576 115.0373 53.4405 39.0443 174.8895 89 T 4.6050 6.9757 118.7754 61.0776 70.3125 172.8232 90 P 4.6375 0.0000 0.0000 62.3507 32.2702 177.5975 91 R 4.4684 8.5806 119.7557 58.7116 30.2031 179.1206 92 K 3.8773 8.0980 117.5792 58.9212 32.2642 176.8027 93 E 4.4878 8.2249 116.6843 56.0756 29.3323 176.7913 94 G 4.0245 8.6160 107.3525 45.3425 0.0000 174.3748 95 G 4.4282 7.6108 108.5661 43.8752 0.0000 174.0250 96 L 3.7174 7.6157 117.5942 53.5391 42.4964 178.7074 97 G 3.8660 7.1503 107.7078 43.6320 0.0000 171.0884 98 P 4.2230 0.0000 0.0000 62.8118 31.6596 175.7433 99 L 4.6842 8.2565 123.3724 53.4529 44.5378 175.2192 100 N 4.9019 9.1158 122.8184 53.0156 39.0074 174.2932 101 I 4.7512 7.2162 108.1997 58.0819 41.0859 172.9396 102 P 4.5626 0.0000 0.0000 62.7027 32.7240 175.0511 103 L 4.7207 8.5750 125.6060 53.3080 44.3420 175.1661 104 L 4.8066 8.9988 127.2521 53.8753 43.4457 175.8306 105 A 4.6487 8.4924 125.0019 49.3692 20.0843 177.5110 106 D 4.8371 8.3613 122.5063 53.1173 41.4200 177.6310 107 V 3.7662 7.9543 119.9293 65.6132 32.0719 176.5986 108 T 4.0019 7.7628 107.4946 62.1168 69.2325 175.4320 109 R 4.1291 8.3470 120.8199 57.1420 28.6342 178.2159 110 R 4.1438 7.8171 118.7628 59.0599 29.9632 178.9342 111 L 4.1094 8.1122 118.5004 57.9356 41.7622 179.4414 112 S 3.8325 8.8492 115.4941 61.6200 62.7918 176.6769 113 E 3.9628 8.5626 121.5960 59.5774 29.1309 179.1641 114 D 4.3505 8.5436 119.1791 56.9829 40.6382 177.4292 115 Y 3.9915 7.7403 114.3105 56.4862 38.1143 175.6867 116 G 3.9584 7.8259 107.6743 46.9465 0.0000 174.9242 117 V 4.3678 7.5761 110.1186 60.3613 32.3350 175.2185 118 L 4.3725 7.7577 123.1061 54.4782 42.3404 176.9222 119 K 4.2514 9.1203 129.1655 55.4594 30.3342 176.8325 120 T 3.8835 8.6490 123.1413 66.5145 68.5494 176.2297 121 D 4.4341 8.0879 117.8370 54.9721 39.6910 176.3078 122 E 4.4163 7.4826 118.1046 55.3039 31.3369 176.7767 123 G 3.8813 8.4112 106.7559 45.7090 0.0000 173.0088 124 I 4.6964 7.2211 111.3514 58.4204 41.0035 174.1715 125 A 4.7879 8.2678 124.3288 51.6064 20.2683 176.8969 126 Y 4.1559 8.7339 119.2513 57.2581 39.4309 177.2216 127 R 4.6814 8.5927 120.8374 55.5047 28.4219 175.3942 128 G 4.3620 8.4414 105.6477 44.3392 0.0000 170.6067 129 L 5.4786 9.0453 127.4690 53.1804 45.4172 175.0440 130 F 5.2340 9.3849 123.7539 55.7929 43.2341 173.6758 131 I 4.9167 8.6353 124.0257 59.7491 39.4408 174.5694 132 I 4.8879 8.7752 128.5788 59.4549 40.2368 176.0626 133 D 3.3700 8.3709 126.9798 51.3859 41.1836 177.0642 134 G 3.7877 8.1091 106.4879 47.8047 0.0000 174.8720 135 K 4.1429 8.3799 118.4098 56.2354 32.5684 177.5540 136 G 3.8135 8.3545 108.2456 45.4574 0.0000 172.8891 137 V 4.4203 7.4769 119.3328 60.6777 32.9470 174.6681 138 L 4.4342 8.4913 129.7426 55.5179 42.3310 177.2267 139 R 4.2282 8.9543 124.8790 56.6211 32.7407 176.1347 140 Q 4.6750 7.7920 118.2571 54.4250 33.0296 173.5464 141 I 4.7763 8.4582 125.1407 59.7865 40.3211 174.8879 142 T 4.5551 8.6438 123.5570 61.6923 71.7810 173.1716 143 V 4.8609 8.4067 125.8775 61.1264 34.2864 174.1714 144 N 5.1176 8.8294 124.8800 51.1506 41.2745 174.2821 145 D 4.6872 8.5671 121.1274 53.8486 42.2546 177.0270 146 L 4.1638 8.8026 122.2283 57.5977 41.6038 177.1558 147 P 4.5100 0.0000 0.0000 63.5079 31.6474 176.0601 148 V 4.3829 7.3817 118.1530 60.4190 33.5100 175.5618 149 G 3.7971 8.6195 115.9099 45.5678 0.0000 173.1526 150 R 4.3235 9.0354 120.4414 55.1516 31.9469 176.1455 151 S 4.5966 8.2105 112.0977 56.7942 64.4559 174.7349 152 V 3.3879 8.0318 128.7038 65.8796 31.3526 177.5185 153 D 4.3027 7.9833 118.4249 57.3772 40.6972 178.2461 154 E 3.9946 8.4001 119.5783 58.9987 29.6500 178.6263 155 A 4.2066 8.1745 121.0623 55.1420 18.5101 179.3845 156 L 3.8454 8.3861 119.0021 58.1618 42.0685 179.0580 157 R 4.2251 8.0766 120.0324 59.0548 29.9504 178.5592 158 L 4.1443 8.2660 118.7387 57.6795 41.6004 179.6604 159 V 3.7670 8.1787 118.3581 66.1477 31.0608 178.1091 160 Q 4.0493 8.3920 117.6061 58.9176 28.5836 178.7174 161 A 3.1397 8.5587 122.1376 55.0360 18.3522 179.7839 162 F 4.0879 8.3578 116.5045 60.6592 38.9448 178.0029 163 Q 3.9691 8.2005 117.8859 59.0017 28.4012 178.1586 164 Y 3.8977 8.2333 121.0971 60.9360 38.6069 178.3028 165 T 4.0019 7.7989 109.4302 64.7288 68.9378 176.0368 166 D 4.5241 8.1708 121.3464 57.2663 40.9296 178.0592 167 E 4.1160 7.9996 117.8597 57.2154 30.0898 176.2154 168 H 4.7828 7.7731 115.1338 53.7506 31.6691 173.8199 169 G 4.2059 8.4347 107.1068 46.1209 0.0000 173.1668 170 E 4.9364 7.7746 117.6585 54.2489 33.1720 175.7076 171 V 4.3657 8.7050 113.9916 59.8921 35.3195 174.9046 172 C 4.5408 8.0382 120.2969 57.3483 29.1945 172.3026 173 P 4.2341 0.0000 0.0000 61.7450 31.6919 175.5800 174 A 4.1599 8.4379 122.1639 54.1501 18.4035 178.0817 175 G 3.9121 8.8637 109.0563 45.3824 0.0000 173.5124 176 W 4.1960 7.8763 128.7900 57.8449 31.2285 175.3264 177 K 3.9146 7.2131 121.7524 53.1942 35.7385 174.0906 178 P 3.4937 0.0000 0.0000 64.3677 31.4079 176.9968 179 G 3.8567 8.6059 111.3313 45.2490 0.0000 173.8383 180 S 4.3289 7.0707 115.5134 57.5567 63.6252 173.8763 181 D 4.5986 8.4984 122.2747 54.8226 41.1377 175.6661 182 T 4.7572 8.2926 111.5581 59.9449 72.3680 172.6594 183 I 4.4717 8.1223 120.7980 59.3179 40.7831 175.2880 184 K 4.5706 8.5380 125.9008 54.2083 32.6659 176.4538 185 P 4.6389 0.0000 0.0000 61.1392 30.4337 175.3126 186 N 5.0328 7.4342 116.4482 51.6309 40.9661 176.0358 187 V 3.6356 8.7664 120.5393 66.5716 31.4388 177.2850 188 D 4.5644 8.2699 118.7373 57.4918 40.9442 178.2696 189 D 4.5231 9.2560 119.0992 56.5442 40.7632 178.6201 190 S 4.1630 8.1791 114.8350 60.6663 63.0295 176.4669 191 K 4.3023 7.9548 122.0801 59.1418 31.4472 178.5766 192 E 3.9365 7.7140 119.2849 59.4364 29.8491 178.0878 193 Y 4.0966 7.8141 118.7437 60.9112 38.5189 177.6440 194 F 4.4803 7.9494 118.9141 60.6008 38.7340 177.8455 195 S 4.2171 8.4961 113.7891 61.0956 62.8468 176.1005 196 K 4.1252 7.7135 119.7263 57.6559 32.2100 177.6678 197 H 4.5185 7.8722 114.0488 55.6032 29.5849 174.4006 198 N 4.6144 7.6560 122.2581 53.2963 39.1082 174.0307 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 S 8.18 4.43 0.00 4.04 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 4 G 8.21 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 5 N 9.27 4.42 0.00 2.66 2.75 0.00 0.00 6.92 8.05 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 6 A 7.84 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.11 4.61 0.00 1.80 1.78 0.00 3.11 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 8 I 8.33 4.03 1.90 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 0.52 0.93 0.00 0.00 9 G 9.13 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 0.00 0.00 0.00 10 K 7.64 4.73 0.00 1.76 1.64 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.49 7.81 11 P 0.00 4.77 0.00 1.89 1.97 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 12 A 9.14 4.10 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 13 P 0.00 4.04 0.00 1.81 1.88 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.89 0.00 14 D 8.51 4.52 0.00 2.57 2.56 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 0.00 0.00 0.00 0.00 15 F 7.30 5.11 0.00 3.15 3.21 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 16 K 8.71 5.42 0.00 1.86 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.48 7.81 17 A 9.32 4.80 1.19 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 18 T 8.39 4.60 4.08 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 0.91 0.00 0.00 19 A 9.27 5.16 1.20 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 0.00 0.00 20 V 8.64 4.65 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 0.98 0.00 0.00 1.16 0.00 0.00 21 V 8.76 4.44 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 0.95 0.00 0.00 0.97 0.00 0.00 22 D 9.97 4.36 0.00 2.84 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 23 G 8.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.83 4.46 1.14 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 0.00 0.00 25 F 8.08 5.49 0.00 2.89 2.76 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 26 K 9.12 4.70 0.00 1.81 1.62 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 27 E 8.78 4.73 0.00 2.03 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 2.29 2.32 0.00 28 V 9.25 4.61 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 1.27 0.00 0.00 1.01 0.00 0.00 29 K 8.59 4.95 0.00 1.81 1.55 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.33 7.81 30 L 7.61 3.70 0.00 0.30 1.24 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.62 4.34 0.00 3.98 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 32 D 7.80 4.30 0.00 2.80 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 0.00 0.00 0.00 0.00 33 Y 8.29 4.39 0.00 3.12 2.98 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 34 K 7.86 4.03 0.00 1.67 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.65 7.81 35 G 9.36 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 0.00 0.00 0.00 36 K 8.09 4.99 0.00 2.00 1.93 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 37 Y 8.95 4.49 0.00 3.04 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 38 V 8.96 4.77 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 0.84 0.00 0.00 0.78 0.00 0.00 39 V 8.77 4.60 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 0.75 0.00 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0.00 0.00 0.00 0.00 66 R 8.47 4.27 0.00 1.94 2.06 0.00 3.37 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 67 K 8.46 3.97 0.00 1.79 2.01 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 68 L 7.24 4.49 0.00 1.80 1.86 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.50 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 70 C 8.37 5.54 0.00 3.20 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 71 E 9.35 4.83 0.00 1.75 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 2.42 2.75 0.00 72 V 8.22 4.51 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 0.54 0.00 0.00 0.28 0.00 0.00 73 L 8.77 4.57 0.00 1.28 1.24 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.17 3.33 0.00 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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 0.00 108 T 7.76 4.00 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 1.20 0.00 0.00 109 R 8.35 4.13 0.00 2.10 2.10 0.00 3.31 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 110 R 7.82 4.14 0.00 1.90 2.01 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 111 L 8.11 4.11 0.00 2.05 1.78 0.92 -0.06 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 0.00 112 S 8.85 3.83 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 0.00 113 E 8.56 3.96 0.00 2.05 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 2.41 0.00 114 D 8.54 4.35 0.00 3.00 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 0.00 115 Y 7.74 3.99 0.00 2.55 2.29 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 0.00 116 G 7.83 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 0.00 117 V 7.58 4.37 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 0.90 0.00 0.00 0.34 0.00 0.00 118 L 7.76 4.37 0.00 1.55 1.57 0.91 0.61 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 0.00 119 K 9.12 4.25 0.00 0.84 1.50 0.00 0.93 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.30 7.81 120 T 8.65 3.88 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 1.21 0.00 0.00 121 D 8.09 4.43 0.00 2.78 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 0.00 122 E 7.48 4.42 0.00 2.05 1.94 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 2.21 2.17 0.00 123 G 8.41 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 0.00 124 I 7.22 4.70 1.94 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 1.16 0.76 0.90 0.00 0.00 125 A 8.27 4.79 1.32 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 0.00 126 Y 8.73 4.16 0.00 3.02 2.92 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 0.00 127 R 8.59 4.68 0.00 2.01 2.05 0.00 3.41 0.00 0.00 3.63 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 128 G 8.44 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 0.00 129 L 9.05 5.48 0.00 1.72 1.45 1.04 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 130 F 9.38 5.23 0.00 3.10 3.11 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 0.00 131 I 8.64 4.92 1.92 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 1.40 0.84 1.18 0.00 0.00 132 I 8.78 4.89 1.85 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 0.86 0.00 0.00 133 D 8.37 3.37 0.00 2.25 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 0.00 0.00 0.00 134 G 8.11 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 0.00 0.00 0.00 135 K 8.38 4.14 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.35 7.81 136 G 8.35 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 0.00 0.00 0.00 137 V 7.48 4.42 2.30 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 0.99 0.00 0.00 0.89 0.00 0.00 138 L 8.49 4.43 0.00 1.85 1.70 1.30 0.76 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 0.00 139 R 8.95 4.23 0.00 0.83 0.66 0.00 3.17 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.30 0.00 140 Q 7.79 4.67 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 141 I 8.46 4.78 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.94 0.89 0.00 0.00 142 T 8.64 4.56 4.20 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 1.23 0.00 0.00 143 V 8.41 4.86 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 0.79 0.00 0.00 0.87 0.00 0.00 144 N 8.83 5.12 0.00 2.82 2.74 0.00 0.00 6.25 7.59 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 0.00 145 D 8.57 4.69 0.00 2.76 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 0.00 146 L 8.80 4.16 0.00 1.78 1.83 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.51 0.00 2.09 2.15 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 148 V 7.38 4.38 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 0.81 0.00 0.00 0.97 0.00 0.00 149 G 8.62 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 0.00 0.00 0.00 150 R 9.04 4.32 0.00 1.91 1.98 0.00 3.24 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 151 S 8.21 4.60 0.00 3.83 3.70 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 0.00 152 V 8.03 3.39 1.81 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 1.04 0.00 0.00 -0.36 0.00 0.00 153 D 7.98 4.30 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.99 0.00 2.12 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 0.00 2.36 2.45 0.00 155 A 8.17 4.21 1.75 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 0.00 156 L 8.39 3.85 0.00 1.38 1.73 0.23 0.48 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 0.00 157 R 8.08 4.23 0.00 2.06 2.14 0.00 3.35 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 158 L 8.27 4.14 0.00 2.11 2.03 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.18 3.77 2.38 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 1.02 0.00 0.00 1.30 0.00 0.00 160 Q 8.39 4.05 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 161 A 8.56 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 8.36 4.09 0.00 3.27 3.35 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 0.00 163 Q 8.20 3.97 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 164 Y 8.23 3.90 0.00 2.94 2.53 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 0.00 165 T 7.80 4.00 4.20 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 1.10 0.00 0.00 166 D 8.17 4.52 0.00 2.98 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 0.00 167 E 8.00 4.12 0.00 1.96 1.66 0.00 0.00 0.00 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 2.30 0.00 168 H 7.77 4.78 0.00 2.90 3.06 0.00 5.80 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 0.00 169 G 8.43 4.21 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 0.00 170 E 7.77 4.94 0.00 1.91 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 2.25 2.31 0.00 171 V 8.70 4.37 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 0.77 0.00 0.00 0.83 0.00 0.00 172 C 8.04 4.54 0.00 2.44 2.47 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 0.00 173 P 0.00 4.23 0.00 2.20 1.89 0.00 3.67 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 2.15 1.62 0.00 174 A 8.44 4.16 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 0.00 175 G 8.86 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 0.00 176 W 7.88 4.20 0.00 3.28 3.04 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 0.00 0.00 0.00 177 K 7.21 3.91 0.00 1.37 1.18 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.37 7.81 178 P 0.00 3.49 0.00 1.82 1.95 0.00 3.23 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 179 G 8.61 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 0.00 0.00 0.00 180 S 7.07 4.33 0.00 3.27 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.50 4.60 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 T 8.29 4.76 4.35 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 1.01 0.00 0.00 183 I 8.12 4.47 1.55 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 -0.15 0.58 0.00 0.00 184 K 8.54 4.57 0.00 1.63 1.75 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.55 7.81 185 P 0.00 4.64 0.00 2.17 2.06 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 186 N 7.43 5.03 0.00 2.93 2.91 0.00 0.00 5.70 7.68 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 0.00 187 V 8.77 3.64 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 0.85 0.00 0.00 0.96 0.00 0.00 188 D 8.27 4.56 0.00 2.78 2.72 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 0.00 189 D 9.26 4.52 0.00 2.70 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 0.00 190 S 8.18 4.16 0.00 4.09 4.40 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 0.00 191 K 7.95 4.30 0.00 1.89 2.01 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.83 1.67 7.81 192 E 7.71 3.94 0.00 2.04 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 0.00 2.36 2.35 0.00 193 Y 7.81 4.10 0.00 2.88 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 0.00 194 F 7.95 4.48 0.00 3.25 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 0.00 195 S 8.50 4.22 0.00 4.00 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 0.00 196 K 7.71 4.13 0.00 1.48 1.67 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.62 7.81 197 H 7.87 4.52 0.00 2.65 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 7.66 4.61 0.00 2.85 2.68 0.00 0.00 6.80 7.44 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 * Residues marked with a * may have inaccurate shift predictions.