NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6634 8.3649 120.5273 53.8887 42.2534 174.6804 2 W 4.2568 8.6360 120.7922 55.1154 30.1865 171.0190 3 V 4.2546 8.5667 119.4550 61.1792 33.2258 174.8031 4 I 4.3484 8.1304 127.5498 58.6278 39.5412 172.8122 5 P 4.6200 0.0000 0.0000 60.7810 32.5678 174.0950 6 P 4.3125 0.0000 0.0000 62.8421 31.7768 176.0472 7 I 4.7223 7.9851 122.6262 59.5020 40.0495 174.8273 8 S 5.3167 8.7002 120.4219 56.9023 66.6172 172.9468 9 C 4.7897 8.9789 120.5622 57.5435 34.9724 171.5504 10 P 5.2351 0.0000 0.0000 61.7358 30.4104 176.1110 11 E 4.2014 9.0218 121.3934 56.5657 31.2468 176.3651 12 N 4.4709 8.8694 115.2232 54.2797 36.6953 174.8547 13 E 4.1637 7.7051 116.9368 56.2921 30.0478 176.8480 14 K 4.6834 8.3849 121.7890 54.7287 35.4528 173.6703 15 G 3.6418 8.5497 103.4429 44.2053 0.0000 172.4556 16 E 4.1625 8.1730 119.0133 55.8924 30.3152 176.4118 17 F 4.9185 8.3237 122.7584 54.9875 42.4707 173.1874 18 P 5.0170 0.0000 0.0000 62.4156 32.8470 175.5498 19 K 4.5740 8.8201 119.6881 54.3295 35.2130 176.1614 20 N 4.3732 8.8087 121.9552 54.1420 38.6392 173.1428 21 L 4.7558 9.3653 120.5102 55.4884 43.5832 176.6382 22 V 4.6909 7.5402 109.7794 60.1265 36.9730 172.9363 23 Q 4.0551 7.7848 124.0234 54.6946 29.7454 174.9313 24 I 4.1882 8.7867 128.9721 60.3979 38.7343 175.1355 25 K 4.5658 8.3334 125.7659 54.8399 35.0263 175.1961 26 S 4.4370 8.2111 116.6955 56.3087 65.8273 174.2394 27 N 4.4797 8.6121 119.4839 54.8568 38.8966 174.7148 28 R 4.3154 7.0302 114.9773 55.0188 32.2288 175.6778 *31 E 3.8298 8.4004 119.9861 56.5940 29.5870 174.5964 32 T 4.6394 7.9481 122.2626 60.9347 71.8618 173.1509 33 K 4.0345 8.4147 123.3889 56.7835 32.8650 175.8669 34 V 4.3763 8.0828 127.6439 61.4225 33.4188 174.6605 35 F 4.8333 9.0562 125.8929 55.9612 41.4108 174.2368 36 Y 5.7698 9.3440 121.9510 56.5566 40.0157 174.8293 37 S 5.0363 8.7122 115.7282 57.2597 66.9598 172.4786 38 I 5.3385 8.4301 113.5116 59.4014 40.1896 174.5639 39 T 4.8476 9.2715 114.5755 60.3761 72.4212 172.2991 40 G 4.3619 9.4614 108.2966 43.5440 0.0000 173.5135 41 Q 4.4327 8.5244 119.1756 57.4280 28.9539 176.9690 42 G 4.6711 9.4255 111.9546 44.4439 0.0000 173.3360 43 A 4.8402 8.2290 120.9006 51.4318 21.3045 176.2365 44 D 4.9510 8.4314 118.0013 52.0753 41.4096 177.2375 45 K 4.7865 7.7503 118.4715 53.6313 36.4855 173.5179 46 P 4.6510 0.0000 0.0000 62.9070 32.1218 174.0846 47 P 4.5155 0.0000 0.0000 62.0349 32.4564 175.8115 48 V 3.8914 8.4457 125.7812 63.6078 32.0102 176.0611 49 G 3.9182 9.2732 115.6359 46.0621 0.0000 174.5261 50 V 3.4677 7.6541 121.7911 64.7174 32.5320 175.7951 51 F 5.4737 8.3891 118.5964 55.4523 41.3843 175.1264 52 I 4.8577 8.9351 115.6883 59.1035 41.3815 173.8569 53 I 5.1345 8.2082 121.9709 59.0384 41.1585 174.5804 54 E 4.3203 9.3103 129.2642 56.1469 29.8302 178.1332 55 R 4.4864 9.0918 121.6329 58.1279 29.6543 178.0756 56 E 4.5275 8.2270 115.7270 56.9347 30.8042 176.7316 57 T 4.2113 8.1625 113.8949 63.2711 69.6263 175.9474 58 G 3.5850 8.4574 108.0628 45.7865 0.0000 172.5662 59 W 4.7080 7.8207 120.3746 56.3246 30.0554 175.0372 60 L 4.8609 9.2281 128.8623 54.5988 43.0052 175.7425 61 K 5.3709 9.4305 124.6169 54.8610 37.2212 175.2735 62 V 4.7663 8.6525 122.5165 60.5814 33.3625 176.3233 63 T 4.6324 8.3439 113.2760 62.0089 69.7657 174.0605 64 Q 3.2541 7.2220 118.1045 53.7532 31.0515 171.9351 65 P 4.4351 0.0000 0.0000 63.0050 32.0496 176.1627 66 L 4.6351 8.4794 122.3995 53.5211 45.0255 175.1212 67 D 4.9538 8.3640 118.7797 52.5378 43.1743 175.8948 68 R 4.2286 9.0149 127.2923 58.7653 29.9469 177.5996 69 E 4.1197 8.4353 116.0474 57.8985 29.9474 178.6241 70 A 4.0757 8.0020 121.3991 53.9635 18.9167 177.6073 71 I 4.3243 7.8859 116.7172 59.8548 40.4415 175.7474 72 A 4.5039 8.4282 126.6240 52.5402 20.4637 176.3219 73 K 4.8555 7.4877 116.1017 55.4930 35.3083 174.4382 74 Y 4.7387 9.1445 125.3587 56.3408 40.7651 174.9765 75 I 4.7365 8.4950 123.5007 59.8358 39.3913 174.6588 76 L 5.1069 8.7350 127.0022 52.9708 45.7055 175.2444 77 Y 4.9408 8.8928 117.8561 56.2198 41.4572 175.2295 78 S 5.1810 8.5773 118.7049 57.5470 65.6090 172.8217 79 H 5.5667 9.4611 118.1999 54.1405 33.2023 172.6549 80 A 4.8197 8.8912 121.5957 50.4483 22.0884 175.0025 81 V 4.9077 8.6714 122.6538 61.2099 34.8053 175.6125 82 S 4.9752 8.9850 122.9204 58.0111 63.8918 175.5463 83 S 4.2128 8.4295 114.5889 61.1010 62.7348 175.1850 84 N 4.4528 8.0397 116.5603 53.7524 38.6965 175.6316 85 G 4.0450 8.1100 106.7262 45.0735 0.0000 173.0036 86 E 4.5204 7.8295 118.3622 53.8143 31.0668 175.5411 87 A 4.4270 8.6298 126.6851 52.9636 18.7767 177.5102 88 V 4.1631 8.7805 115.4985 61.0996 32.2473 175.3767 89 A 4.6575 7.3587 121.2328 50.8739 21.9411 175.6909 90 D 4.7522 8.6884 119.5476 53.2886 41.6860 175.0648 91 P 4.8859 0.0000 0.0000 62.8770 32.1905 175.0663 92 M 4.1487 7.2489 122.6065 53.0029 34.3233 174.4046 93 E 3.1845 8.4894 127.4537 56.2942 30.5251 175.6921 94 I 4.2394 8.6582 128.5156 59.4426 39.8707 174.5426 95 V 4.4588 8.1898 127.5370 61.4365 33.3771 174.3188 96 I 4.6798 8.4572 129.7255 60.0057 39.0274 174.9899 97 T 4.5227 8.8286 125.8255 62.6608 69.7550 174.4201 98 V 4.5860 8.7050 128.4710 62.5030 32.0057 175.6990 99 T 4.4832 8.8682 119.1831 60.8539 70.8830 173.4754 100 D 4.9070 8.5744 122.7572 54.0148 42.1603 175.4646 101 Q 4.7234 9.4484 124.3086 54.0551 31.2197 176.3413 102 N 4.7937 8.4975 120.2110 53.0129 36.9298 173.9654 103 D 4.9265 8.3621 117.3355 52.1452 40.4933 176.2280 104 N 4.9806 8.3145 117.5058 51.5147 41.0376 174.5599 105 R 4.2973 8.3917 119.5060 54.6210 30.8852 174.4697 106 P 4.6686 0.0000 0.0000 62.9998 32.3187 175.5090 107 E 4.7434 9.2780 120.0063 54.3499 31.4069 175.2350 108 F 4.9858 9.0078 122.4360 57.7805 39.9209 176.5153 109 T 4.2230 9.4103 112.3676 63.7477 69.0919 174.5493 110 Q 4.4323 7.2186 117.6238 53.9540 33.0401 174.8290 111 E 4.1255 8.5709 119.6269 58.7714 30.8329 177.0112 112 V 4.7465 7.3017 118.2538 61.0384 34.1543 174.7630 113 F 4.7065 9.5410 127.3318 56.2500 40.9026 174.6308 114 E 5.1222 8.8676 122.2802 54.8788 31.7808 175.3121 115 G 4.3849 9.0938 110.4713 45.5395 0.0000 170.9249 116 S 5.4255 8.3240 112.4504 57.4051 65.8711 174.4492 117 V 4.6401 8.6315 120.1335 59.8874 35.0872 174.1217 118 A 4.2838 8.7505 125.9680 52.0020 18.9269 177.6806 119 E 3.8356 8.7395 123.5587 59.3553 29.7267 178.1907 120 G 3.9443 7.9833 103.9595 45.0666 0.0000 173.1555 121 A 4.0173 7.6844 123.3403 52.0209 19.0329 178.9790 122 V 3.7848 8.2758 116.4351 60.2984 32.4021 174.1029 123 P 4.4257 0.0000 0.0000 64.6981 31.4783 176.8154 124 G 4.0010 9.1954 111.1691 45.1289 0.0000 173.5419 125 T 4.2089 7.8091 117.7753 62.9694 69.4803 174.5380 126 S 4.3384 8.8235 123.1076 59.3638 63.0994 173.3993 127 V 4.3115 8.8204 123.9619 63.8834 33.0566 175.0451 128 M 4.5004 7.2479 114.7051 54.6683 34.2174 172.4573 129 K 4.8888 8.4702 119.2388 54.6905 35.1678 175.4353 130 V 3.3748 8.2776 120.2413 59.2745 34.5695 174.9238 131 S 4.8145 7.9845 116.1503 56.8582 66.5657 172.5122 132 A 5.2899 9.2211 122.7875 50.5713 22.4339 175.1010 133 T 4.7064 8.7992 109.3940 59.9936 72.6850 172.8615 134 D 4.7577 8.2711 120.2799 52.7740 43.7995 174.9599 135 A 4.1448 8.6301 128.7431 53.6305 18.7786 176.7837 136 D 4.8126 7.7401 115.1790 52.5412 42.2688 175.4223 137 D 4.5220 8.9303 120.1879 53.8059 40.0866 176.1766 138 D 4.4694 8.3881 126.2183 55.3033 41.9762 177.7261 139 V 3.7152 7.9658 117.9710 65.7312 31.6721 176.1612 140 N 4.7571 8.3187 114.1770 53.1848 39.8559 173.8919 141 T 4.5555 7.2653 106.8842 60.3371 72.1607 173.0579 142 Y 4.4369 8.2702 116.1074 58.0610 38.1845 177.3756 143 N 4.4956 8.2346 117.9302 55.2734 38.6576 175.3213 144 A 4.9655 7.8561 117.8356 51.4188 20.7752 176.2750 145 A 4.3467 8.2044 121.6840 51.9898 19.0624 176.8787 146 I 4.4376 8.0600 121.4382 61.1977 38.5410 175.3190 147 A 4.8603 8.7957 128.9205 50.3223 21.7328 174.7951 148 Y 5.1726 8.7861 121.1579 57.2069 39.9142 175.0393 149 T 5.0615 8.9485 112.6185 60.2181 73.1694 172.4231 150 I 4.5835 8.2766 123.0128 60.3809 37.9370 176.0027 151 V 4.0638 9.2482 128.7267 65.4604 32.2532 176.0160 152 S 4.7612 7.6676 112.2649 57.3943 66.2600 173.1393 153 Q 5.0548 8.5727 121.3210 54.5377 31.9288 173.5893 154 D 4.9873 9.0446 125.5801 51.7319 44.4096 173.5142 155 P 4.8016 0.0000 0.0000 62.6818 32.2060 174.9109 156 E 4.5424 8.3518 116.0068 56.8340 29.8551 176.6768 157 L 4.6467 7.4215 117.1697 52.0492 45.2577 175.5046 158 P 4.2293 0.0000 0.0000 65.0224 31.6689 175.2258 159 H 4.8801 7.1513 112.8331 53.7516 31.4392 172.4925 160 K 4.2468 8.3298 119.1532 57.0997 33.4132 175.5118 161 N 4.2684 8.6919 113.0327 54.6933 35.6613 176.0946 162 M 3.9038 8.3885 119.9163 57.6087 32.9451 176.9483 163 F 5.3778 7.8168 114.2665 55.9108 42.9138 174.2862 164 T 4.9353 8.9719 114.0857 60.6683 71.4526 172.5288 165 V 4.8598 8.1605 123.2422 59.5245 34.3937 174.7399 166 N 4.6452 9.1563 123.7687 53.5140 39.4132 176.1256 167 R 4.8354 8.8384 122.0976 58.1267 30.4579 178.3425 168 D 4.4707 8.4854 118.1156 56.7789 41.3652 177.5630 169 T 4.1374 8.4583 107.1401 61.6221 69.6272 176.0328 170 G 3.2394 8.3098 109.5636 45.5666 0.0000 172.9017 171 V 4.0805 7.2421 121.3764 62.7556 32.6288 174.8925 172 I 4.7357 8.8130 130.0272 60.6223 38.6709 175.2977 173 S 5.2094 8.9459 122.0366 56.1296 67.6587 173.4794 174 V 3.7592 8.6690 122.1909 63.4804 31.5165 176.1817 175 L 4.2934 8.7176 131.2507 56.8599 42.8206 176.4472 176 T 4.6576 7.3408 105.6718 59.4330 71.9398 173.1257 177 S 4.3290 8.2262 117.0471 57.9858 64.0274 173.6457 178 G 3.8906 8.9588 106.9860 45.1220 0.0000 174.5619 179 L 4.1160 7.6656 120.0841 55.6006 42.2009 177.1949 180 D 4.7855 8.3778 119.1184 53.4999 41.9926 175.7851 181 R 4.1385 9.0416 122.9713 58.5257 29.6926 178.6731 182 E 4.1038 8.1757 116.6915 58.1681 30.0785 177.7378 183 S 4.0164 8.0247 113.7620 59.9362 63.4958 174.3170 184 Y 4.5715 7.1840 120.3159 55.2343 38.3214 173.5206 185 P 4.7074 0.0000 0.0000 64.8966 32.7199 175.8813 186 T 5.2940 7.5417 107.2530 60.4088 72.3440 172.8177 187 Y 4.9121 9.0498 118.9761 56.5436 42.3152 174.8623 188 T 4.9666 8.9781 120.1703 61.9950 70.9811 173.1933 189 L 5.0041 9.0203 127.7636 53.4099 44.0114 176.0147 190 V 4.5308 8.5149 123.6302 61.8710 32.9283 174.9783 191 V 4.9444 8.6057 121.4272 59.6016 34.8755 174.5380 192 Q 5.4606 9.2876 124.4301 54.3591 32.5636 173.7626 193 A 5.1338 9.0285 126.7217 49.9869 21.8638 175.0273 194 A 5.1416 8.6663 124.1436 50.1929 22.7169 176.0923 195 D 4.5097 8.7910 122.3492 53.1018 42.8417 175.6428 196 L 3.9603 9.3187 113.7598 56.6504 39.2201 174.6930 197 Q 3.2749 9.4981 110.4454 57.2054 26.8150 175.6144 198 G 3.9656 8.5471 106.4920 45.3555 0.0000 174.6981 199 E 4.5379 7.7760 117.4874 56.2042 31.1148 176.9027 200 G 4.2462 7.5183 106.5946 46.0119 0.0000 174.6985 201 L 4.5073 9.5946 125.9348 54.7367 42.6346 176.0598 202 S 5.2335 8.4963 115.9371 57.0803 66.6233 172.5825 203 T 4.9817 8.8283 114.6652 60.7720 71.2589 172.3394 204 T 5.5610 8.6800 113.6629 60.2006 72.1950 172.3890 205 A 4.6870 8.7259 123.5774 50.8709 23.5868 174.6115 206 K 5.0473 8.7638 116.6142 54.7504 35.5903 175.9971 207 A 5.1231 8.9466 125.1114 50.3198 21.7508 175.1427 208 V 4.6850 8.9660 123.7907 61.7629 33.6576 174.5573 209 I 4.8596 8.8618 129.5909 59.9309 39.6513 174.6972 210 T 4.6931 8.6157 124.5430 62.2631 70.2109 174.1699 211 V 4.4122 8.5123 127.5630 62.1989 32.2905 176.0697 212 K 4.5428 9.2731 128.8202 55.1639 34.3813 177.2473 213 D 4.5023 8.4328 119.5217 53.8480 39.6866 176.3152 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 D 8.36 4.66 0.00 2.72 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 2 W 8.64 4.26 0.00 3.30 3.17 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 0.00 0.00 0.00 3 V 8.57 4.25 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 0.80 0.00 0.00 0.93 0.00 0.00 4 I 8.13 4.35 1.85 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 1.34 0.85 0.91 0.00 0.00 5 P 0.00 4.62 0.00 2.20 2.03 0.00 3.79 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 1.95 1.95 0.00 6 P 0.00 4.31 0.00 2.05 2.01 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 7 I 7.99 4.72 1.93 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 1.25 0.97 0.88 0.00 0.00 8 S 8.70 5.32 0.00 3.91 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 9 C 8.98 4.79 0.00 3.09 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 10 P 0.00 5.24 0.00 2.02 2.00 0.00 3.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 11 E 9.02 4.20 0.00 2.22 2.14 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 2.55 2.33 0.00 12 N 8.87 4.47 0.00 2.93 2.99 0.00 0.00 7.00 8.03 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 13 E 7.71 4.16 0.00 2.21 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 2.39 2.56 0.00 14 K 8.38 4.68 0.00 1.89 1.88 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 15 G 8.55 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.17 4.16 0.00 1.86 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 2.28 2.32 0.00 17 F 8.32 4.92 0.00 2.91 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 18 P 0.00 5.02 0.00 1.98 2.13 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 19 K 8.82 4.57 0.00 1.65 1.58 0.00 1.19 0.00 0.00 1.41 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.01 7.81 20 N 8.81 4.37 0.00 2.31 2.38 0.00 0.00 6.91 7.85 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 21 L 9.37 4.76 0.00 1.71 1.65 1.09 0.81 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 22 V 7.54 4.69 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 0.72 0.00 0.00 0.90 0.00 0.00 23 Q 7.78 4.06 0.00 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 24 I 8.79 4.19 1.68 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 1.11 1.48 1.07 0.00 0.00 25 K 8.33 4.57 0.00 1.47 1.50 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.31 7.81 26 S 8.21 4.44 0.00 3.52 3.23 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 27 N 8.61 4.48 0.00 2.62 2.79 0.00 0.00 6.94 7.65 0.00 0.00 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 R 7.03 4.32 0.00 1.75 1.74 0.00 3.36 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 *31 E 8.40 3.83 0.00 1.92 1.91 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 2.19 2.30 0.00 32 T 7.95 4.64 4.24 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 2.18 2.27 0.00 108 F 9.01 4.99 0.00 3.22 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.41 4.22 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 1.34 0.00 0.00 110 Q 7.22 4.43 0.00 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 111 E 8.57 4.13 0.00 1.85 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 2.39 2.29 0.00 112 V 7.30 4.75 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 0.80 0.00 0.00 0.88 0.00 0.00 113 F 9.54 4.71 0.00 2.92 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 0.00 114 E 8.87 5.12 0.00 1.84 1.85 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 2.20 2.21 0.00 115 G 9.09 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.32 5.43 0.00 3.98 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 0.00 117 V 8.63 4.64 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 0.94 0.00 0.00 1.03 0.00 0.00 118 A 8.75 4.28 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 0.00 119 E 8.74 3.84 0.00 2.22 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 2.45 2.34 0.00 120 G 7.98 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 0.00 121 A 7.68 4.02 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 0.00 122 V 8.28 3.78 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 0.91 0.00 0.00 0.93 0.00 0.00 123 P 0.00 4.43 0.00 2.01 2.15 0.00 3.62 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 2.06 0.00 124 G 9.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.81 4.21 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 0.00 126 S 8.82 4.34 0.00 3.75 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 0.00 127 V 8.82 4.31 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 0.76 0.00 0.00 1.12 0.00 0.00 128 M 7.25 4.50 0.00 2.02 2.07 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 2.35 2.33 0.00 129 K 8.47 4.89 0.00 1.65 1.58 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.67 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.10 1.28 7.81 130 V 8.28 3.37 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 0.03 0.00 0.00 0.63 0.00 0.00 131 S 7.98 4.81 0.00 3.95 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 0.00 132 A 9.22 5.29 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 0.00 133 T 8.80 4.71 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 1.24 0.00 0.00 134 D 8.27 4.76 0.00 2.53 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 4.14 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 0.00 136 D 7.74 4.81 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.93 4.52 0.00 2.66 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 0.00 138 D 8.39 4.47 0.00 2.62 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 0.00 139 V 7.97 3.72 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 0.82 0.00 0.00 0.90 0.00 0.00 140 N 8.32 4.76 0.00 2.87 2.78 0.00 0.00 6.85 6.95 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 0.00 141 T 7.27 4.56 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 1.20 0.00 0.00 142 Y 8.27 4.44 0.00 3.04 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 0.00 143 N 8.23 4.50 0.00 2.82 2.89 0.00 0.00 6.63 6.66 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 0.00 144 A 7.86 4.97 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 0.00 0.00 145 A 8.20 4.35 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.06 4.44 1.61 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 -0.01 0.00 0.00 147 A 8.80 4.86 1.12 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 0.00 0.00 148 Y 8.79 5.17 0.00 3.09 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 0.00 149 T 8.95 5.06 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 1.24 0.00 0.00 150 I 8.28 4.58 1.91 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 1.25 0.64 0.95 0.00 0.00 151 V 9.25 4.06 2.23 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 0.78 0.00 0.00 0.98 0.00 0.00 152 S 7.67 4.76 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.57 5.05 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.73 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 154 D 9.04 4.99 0.00 2.83 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 0.00 155 P 0.00 4.80 0.00 2.04 1.99 0.00 3.34 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 156 E 8.35 4.54 0.00 1.96 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 2.40 2.37 0.00 157 L 7.42 4.65 0.00 0.46 0.35 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.23 0.00 2.16 2.26 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.13 0.00 159 H 7.15 4.88 0.00 3.16 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.33 4.25 0.00 1.90 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 161 N 8.69 4.27 0.00 2.89 2.96 0.00 0.00 6.94 7.66 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 0.00 162 M 8.39 3.90 0.00 0.79 1.37 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.62 0.00 163 F 7.82 5.38 0.00 2.85 2.96 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 0.00 164 T 8.97 4.94 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 1.23 0.00 0.00 165 V 8.16 4.86 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 0.88 0.00 0.00 0.96 0.00 0.00 166 N 9.16 4.65 0.00 2.78 2.73 0.00 0.00 6.80 7.19 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 0.00 167 R 8.84 4.84 0.00 2.11 2.26 0.00 3.19 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 168 D 8.49 4.47 0.00 2.89 2.81 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 0.00 169 T 8.46 4.14 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 1.23 0.00 0.00 170 G 8.31 3.24 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 0.00 171 V 7.24 4.08 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 0.96 0.00 0.00 0.88 0.00 0.00 172 I 8.81 4.74 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.41 0.85 0.00 0.00 173 S 8.95 5.21 0.00 3.75 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 0.00 174 V 8.67 3.76 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 0.76 0.00 0.00 0.97 0.00 0.00 175 L 8.72 4.29 0.00 1.53 1.84 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 176 T 7.34 4.66 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 1.15 0.00 0.00 177 S 8.23 4.33 0.00 3.99 3.89 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 0.00 0.00 0.00 178 G 8.96 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.67 4.12 0.00 1.83 1.72 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.38 4.79 0.00 2.78 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 0.00 181 R 9.04 4.14 0.00 2.00 2.11 0.00 3.29 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.61 0.00 182 E 8.18 4.10 0.00 1.93 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 2.28 2.31 0.00 183 S 8.02 4.02 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 0.00 184 Y 7.18 4.57 0.00 2.91 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 2.05 2.08 0.00 3.51 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 186 T 7.54 5.29 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 1.21 0.00 0.00 187 Y 9.05 4.91 0.00 3.00 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 0.00 188 T 8.98 4.97 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 0.00 189 L 9.02 5.00 0.00 1.48 1.55 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 190 V 8.51 4.53 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 0.97 0.00 0.00 0.94 0.00 0.00 191 V 8.61 4.94 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 0.59 0.00 0.00 0.47 0.00 0.00 192 Q 9.29 5.46 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 193 A 9.03 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.67 5.14 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 0.00 195 D 8.79 4.51 0.00 2.87 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 0.00 196 L 9.32 3.96 0.00 1.87 1.68 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 197 Q 9.50 3.27 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 198 G 8.55 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 0.00 199 E 7.78 4.54 0.00 2.14 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 2.22 2.25 0.00 200 G 7.52 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 0.00 201 L 9.59 4.51 0.00 1.78 1.59 1.03 0.72 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 0.00 202 S 8.50 5.23 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 T 8.83 4.98 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 204 T 8.68 5.56 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 1.29 0.00 0.00 205 A 8.73 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 K 8.76 5.05 0.00 1.68 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.33 7.81 207 A 8.95 5.12 1.09 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 0.00 208 V 8.97 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 1.04 0.00 0.00 0.92 0.00 0.00 209 I 8.86 4.86 1.75 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.29 0.87 0.00 0.00 210 T 8.62 4.69 4.27 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 1.24 0.00 0.00 211 V 8.51 4.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.28 0.00 0.00 212 K 9.27 4.54 0.00 1.73 1.75 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.42 7.81 213 D 8.43 4.50 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.