NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2662 7.8827 121.4455 61.2237 38.6990 173.8185 17 V 4.3408 8.6708 126.2606 61.9004 32.5540 174.4096 18 G 3.9378 8.9555 114.8163 46.6332 0.0000 173.2474 19 G 4.2571 7.8627 110.4510 43.9019 0.0000 172.7423 20 Y 4.9820 7.9389 116.4469 55.0385 42.0935 175.0136 21 T 4.2619 8.5577 117.1976 63.9196 68.3867 175.2484 22 C 4.1627 8.7485 125.5954 59.7687 35.2538 175.3430 23 G 4.0363 8.5058 105.9071 44.4604 0.0000 172.6285 24 A 4.2300 8.5264 125.5829 53.4978 18.4797 176.9009 25 N 4.2559 8.8142 120.0475 54.7934 35.9946 175.3767 26 T 4.2395 7.6019 107.2869 62.3972 69.7997 175.2640 27 V 4.0297 7.0328 122.5899 60.2383 31.4192 173.4890 28 P 4.4584 0.0000 0.0000 64.1562 32.1581 178.2898 29 Y 4.8162 6.9937 115.7790 56.9940 38.7238 174.5492 30 Q 4.5178 7.4933 123.7207 56.3209 29.4520 175.5498 31 V 4.8514 9.0524 119.6358 59.7093 35.6366 174.2862 32 S 4.9422 8.9545 117.6561 56.6237 64.6795 172.7057 33 L 4.5636 8.5836 127.8089 53.5083 43.1772 175.0206 34 N 5.8561 8.9524 122.5900 50.0343 41.7452 175.0239 *37 S 4.1724 8.4056 121.7487 58.2661 64.1031 174.5067 38 G 3.9404 9.4620 108.5503 46.2842 0.0000 172.6676 39 Y 4.6176 6.4985 115.0585 55.7225 40.2192 173.1857 40 H 4.4185 8.9141 122.0096 56.7816 30.1306 174.7101 41 F 5.0971 8.1155 120.5148 56.8475 39.5981 174.2858 42 C 4.7691 6.8492 114.9786 56.1190 44.6094 173.9939 43 G 4.0683 8.7488 110.2259 46.2486 0.0000 172.0655 44 G 4.4263 7.9559 105.6780 46.5301 0.0000 172.6602 45 S 5.4070 8.7611 115.3644 56.4460 67.0525 173.7410 46 L 4.7773 9.1884 127.5029 54.9113 42.1673 177.0917 47 I 4.4558 8.6812 120.3673 61.4156 38.7473 174.5376 48 N 4.9152 7.6335 117.1185 51.9222 39.7059 174.6364 49 S 4.3654 8.7713 111.4895 60.5920 63.2184 174.4825 50 Q 4.5401 9.1111 121.1117 55.2430 31.0211 174.2526 51 W 5.5376 8.4099 116.6590 55.5839 33.3819 174.2824 52 V 5.1411 9.1518 124.0304 61.0534 34.1631 174.3624 53 V 4.9553 8.8800 127.1868 60.5139 33.7290 174.9713 54 S 4.9189 8.8965 116.8283 57.3725 66.3340 171.9873 55 A 4.5048 8.5266 121.1812 51.2177 19.5944 178.6975 56 A 3.8074 8.3308 125.0260 55.2092 18.4692 179.1613 57 H 4.5304 8.4625 110.1513 57.6278 28.6846 175.5154 58 C 4.6699 7.9313 117.1105 57.5415 40.4372 173.3015 59 Y 4.2372 7.7441 122.0687 57.8780 38.7985 175.1928 60 K 3.8770 7.0878 125.3835 55.0517 35.0342 174.9362 61 S 4.2888 8.0262 118.6588 58.5641 64.2638 173.4037 62 G 3.6918 8.4082 107.3218 46.7962 0.0000 173.8197 63 I 4.0830 7.5869 120.1930 60.5430 38.8722 175.1533 64 Q 4.6837 8.9464 128.8883 54.3555 31.2021 174.2268 65 V 4.2639 8.7270 127.2556 62.0341 33.2693 174.6035 66 R 5.0969 8.9869 127.6427 54.7484 32.2922 175.3878 67 L 4.7157 9.0305 124.6727 52.7874 44.7351 177.6511 *69 G 4.1064 8.2463 107.0009 45.3783 0.0000 172.6864 70 E 4.3750 8.2452 118.7582 55.5586 29.8235 174.1302 71 D 4.8650 7.9716 118.9206 55.3560 44.6833 174.4846 72 N 5.0345 9.0607 122.4507 53.0732 38.9962 176.2621 73 I 3.8800 8.3163 120.2736 62.5965 37.8115 176.4473 74 N 4.7211 7.9688 117.0416 53.0590 39.2007 174.6779 75 V 4.3212 7.4021 118.3474 60.6392 34.2065 174.9784 76 V 4.1008 8.4934 126.9062 62.8484 31.1645 175.1724 77 E 4.4627 9.2537 126.9065 55.5290 30.5361 176.9987 78 G 4.0442 8.2315 106.4665 45.2487 0.0000 174.1939 79 N 4.8915 8.1127 115.4949 52.9796 40.0001 174.5559 80 E 4.6370 7.9672 118.6742 56.4365 30.7562 176.3626 81 Q 4.3233 8.9653 120.9204 54.3006 32.6322 174.1648 82 F 5.5119 8.7456 123.3534 56.0184 40.8133 175.3331 83 I 4.6105 8.7416 125.0800 59.1977 40.4783 175.4515 84 S 4.6970 8.7129 121.4948 57.9656 63.8024 172.7937 85 A 4.5653 8.6203 128.2348 52.1452 18.1875 177.6799 86 S 4.4813 8.9968 117.1146 59.5897 64.7333 174.6795 87 K 4.6983 7.6300 120.0577 54.8998 35.6500 174.8491 88 S 5.3282 8.8117 121.7232 56.8471 66.2893 173.6539 89 I 4.5671 9.2208 124.6725 59.4574 39.7468 174.9226 90 V 4.1245 8.4363 127.5009 62.2215 32.5918 175.1107 91 H 3.3516 8.7118 126.9076 55.9969 29.9524 174.3464 92 P 4.2647 0.0000 0.0000 65.2733 31.3118 177.1145 93 S 4.6750 7.7268 113.1294 57.9904 62.9873 173.1554 94 Y 4.2480 8.0413 123.1505 58.0065 38.8781 174.5890 95 N 4.6046 8.4840 126.3894 51.3593 39.5195 175.1884 96 S 3.9003 7.5687 120.5253 59.9762 63.5917 175.5860 97 N 4.3368 8.2492 119.1358 56.0813 38.3358 176.2754 98 T 3.9083 7.7810 104.9393 61.0664 69.6276 174.9704 99 L 3.7048 7.7369 120.5942 55.3756 40.0472 173.9152 100 N 4.4376 7.7760 118.0025 54.7237 39.4492 174.6765 101 N 4.9906 8.7423 120.7139 54.1999 35.8448 175.6366 102 D 4.6548 7.9906 117.5839 53.1812 39.6256 174.5207 103 I 4.8037 7.1765 120.9906 59.4050 42.1969 172.6545 104 M 5.5155 9.1083 126.8202 54.2226 36.3312 173.2630 105 L 5.3800 9.2524 124.5209 53.2070 44.9335 175.4327 106 I 5.0131 9.1955 123.3678 59.4601 40.6656 174.2857 107 K 3.7687 8.6011 129.1252 54.6096 33.5122 175.6821 108 L 4.4621 8.1901 128.0372 54.3459 41.7913 177.4088 109 K 4.1527 8.8279 123.1805 59.0158 32.4936 177.3084 110 S 4.6157 7.7153 111.1562 55.8172 66.2156 173.0180 111 A 4.4138 8.4052 123.0889 51.5204 18.6461 177.5215 112 A 4.1582 8.9455 125.1415 52.3069 19.4686 177.3076 113 S 4.4204 9.1537 116.6166 57.3452 62.8235 173.6610 114 L 4.6623 8.4674 128.2546 53.7607 42.3450 176.0463 115 N 4.9545 9.0642 120.2504 51.7020 40.0618 174.6998 116 S 4.2021 8.8075 111.5490 61.3885 62.8794 175.2458 117 R 4.2540 8.5053 118.6107 56.1920 30.8747 176.2308 118 V 4.4624 7.8297 116.4582 60.8515 33.2085 173.7623 119 A 5.1671 8.4594 128.4605 50.1720 22.7754 175.3250 120 S 4.8137 8.7926 114.9841 58.2070 64.5237 173.0903 121 I 4.3979 8.3592 122.0732 59.1926 39.5129 175.5702 122 S 4.3433 8.4113 124.5238 58.4803 63.8851 174.0007 123 L 4.2060 8.3946 123.8103 53.6697 42.3240 175.1996 124 P 4.5107 0.0000 0.0000 62.9161 32.4443 176.3663 125 T 4.2043 8.2018 108.8008 62.3779 69.8780 174.5127 *127 S 4.9099 7.5716 116.8665 58.4730 64.0143 174.1720 128 C 4.4017 8.4911 120.5006 56.6486 40.7004 173.6131 129 A 4.2429 8.1060 126.3528 51.8765 19.1916 177.6233 130 S 4.1806 8.2073 117.2089 57.8516 64.0320 173.4804 *132 A 4.2806 8.2531 125.1610 53.5200 19.3054 176.8347 133 G 4.0027 9.0811 110.7130 45.4095 0.0000 174.3454 134 T 3.9293 7.5147 117.1869 63.6935 69.2638 173.7006 135 Q 4.6123 8.6182 128.0580 56.2037 30.0512 175.4526 136 C 5.2059 9.3115 122.2816 55.2436 46.8738 172.4333 137 L 5.1512 8.8186 123.1152 53.6850 43.7120 175.0113 138 I 5.1857 9.1923 127.7629 58.8855 39.6481 174.9832 139 S 4.9030 8.3453 119.7168 56.6840 66.4459 173.0906 140 G 3.6946 7.8989 108.1476 46.2868 0.0000 173.2951 141 W 4.6286 8.8006 116.8028 56.2964 29.2185 177.0751 142 G 4.0406 8.3916 109.4771 44.1507 0.0000 173.3191 143 N 3.5736 8.3643 118.1301 54.4645 38.8273 174.5901 144 T 5.0518 7.9857 113.4982 60.5916 69.5439 174.4370 145 K 4.6043 7.7260 121.7818 54.7179 34.6800 176.3885 146 S 4.2667 8.7030 117.6330 59.6642 63.5383 174.1716 147 S 4.2668 7.5522 114.7786 57.5078 63.9727 174.4606 148 G 3.9685 8.8773 113.5355 44.9004 0.0000 170.9348 149 T 4.8764 8.0449 107.6904 59.8973 71.5719 174.0178 150 S 4.4853 9.1899 120.1073 57.7305 65.7009 172.1542 151 Y 4.7986 8.8544 126.2161 55.9446 38.6732 174.2936 152 P 4.5779 0.0000 0.0000 62.8344 32.5819 175.9937 153 D 4.6742 8.7139 118.7347 55.4835 41.6780 176.7142 154 V 5.3480 7.4699 110.7987 58.3855 34.4768 175.4604 155 L 3.3741 8.3911 124.5574 54.9756 42.9457 175.9103 156 K 4.7997 8.1914 125.3042 54.9557 34.8257 174.6958 157 C 5.2024 8.6310 120.1932 55.0596 40.6551 172.9399 158 L 5.0395 8.8059 123.3686 53.6705 45.4887 174.7194 159 K 5.1842 9.0632 125.5151 55.2917 33.4175 175.8397 160 A 4.8345 9.2975 126.2255 49.1267 23.1439 173.4172 161 P 4.9803 0.0000 0.0000 61.8764 33.8262 175.4186 162 I 4.1628 8.4902 123.3787 61.6297 37.8268 175.7293 163 L 4.7261 8.5964 127.5634 53.4923 42.9257 177.2288 164 S 4.2235 8.5632 115.9251 58.3002 63.8009 174.6316 165 D 4.3844 8.9903 122.1579 57.9737 40.8091 179.1610 166 S 4.1739 8.0486 114.2747 61.3220 63.2287 176.4397 167 S 4.1612 7.9963 117.8047 61.0783 62.9117 175.5871 168 C 4.2946 8.4667 122.2904 59.7197 41.7158 175.9357 169 K 3.9774 8.4044 119.9760 59.4032 31.3240 179.6482 170 S 4.2566 8.0557 114.9350 61.3941 62.7925 176.1515 171 A 4.0099 8.0425 122.8187 53.7641 19.7869 177.3333 172 Y 4.8174 7.7389 113.5560 55.0744 38.2601 173.1306 173 P 4.4727 0.0000 0.0000 63.5138 32.2502 177.1283 174 G 4.0173 9.1096 110.1195 46.1611 0.0000 173.7028 175 Q 4.5656 8.1494 117.2132 55.2593 31.0320 175.7161 176 I 4.2687 7.9422 119.2724 60.3865 37.9707 175.6629 177 T 4.5125 8.2766 116.0258 59.7995 70.6371 175.4418 178 S 4.3506 8.5512 115.1055 60.3119 63.0782 174.4115 179 N 4.9598 8.2391 118.5174 53.2967 38.5639 173.7853 180 M 5.5485 7.9308 117.0597 53.5897 35.9591 174.6525 181 F 5.1593 8.8925 115.8366 55.5343 42.2863 172.7069 182 C 5.4880 8.9536 116.1273 55.7157 42.7116 172.7335 183 A 5.0404 9.2825 123.0048 50.5882 21.7652 175.5816 184A G 3.6147 7.1473 108.4645 44.5172 0.0000 173.9209 184 Y 4.6776 8.3107 121.5453 56.0040 41.2648 176.2706 185 L 4.2013 8.7080 125.4007 57.2409 42.0494 179.1205 186 E 4.1157 8.2209 115.8120 57.2867 30.3917 177.8828 187 G 3.7250 7.9914 107.8397 45.3237 0.0000 173.9115 188A G 4.1084 8.8115 107.1420 45.4393 0.0000 174.0355 188 K 4.8945 7.4064 117.7779 54.8406 35.0048 175.3707 189 D 4.6720 8.7705 122.7290 53.6067 45.5050 175.0754 190 S 4.8323 8.2262 114.8977 58.5163 64.8395 172.0398 191 C 4.7119 9.3421 118.7629 55.5900 44.3739 171.9721 192 Q 4.3807 8.5911 120.9258 57.6129 28.8561 177.2061 193 G 4.3843 9.2403 113.6062 45.8046 0.0000 173.9339 194 D 4.6330 8.5485 118.8132 55.5568 41.5386 176.4700 195 S 4.3563 8.0373 115.1086 60.1691 63.2247 175.5746 196 G 4.0444 8.9782 113.4111 46.4100 0.0000 173.6272 197 G 4.2586 7.8291 107.4756 45.2628 0.0000 170.9924 198 P 5.1200 0.0000 0.0000 62.0956 33.5702 175.4971 199 V 4.5924 8.8070 122.3121 61.4462 33.7906 173.9908 200 V 4.7599 8.6233 129.0581 61.4137 33.6738 173.8267 201 C 5.0390 8.8112 124.9221 55.5933 43.8034 174.5943 202 S 3.3602 9.8692 120.5186 59.6985 60.0885 173.4620 203 G 3.9412 8.5429 105.3842 45.4193 0.0000 173.9555 204 K 4.7423 7.5895 118.2611 53.1505 34.9670 175.3157 *209 L 4.1900 8.2890 123.0830 55.4085 42.3344 175.7918 210 Q 4.5784 9.1872 126.1455 56.4857 31.1005 175.9120 211 G 5.2344 8.0910 104.3604 45.5232 0.0000 171.3849 212 I 5.1338 8.1675 120.2264 58.7975 40.7979 175.1482 213 V 3.7297 8.9611 127.5369 64.0846 31.8227 174.2563 214 S 4.7889 8.3848 120.4613 58.5566 64.3912 173.7014 215 W 4.9133 7.5177 114.1017 55.6979 31.9634 172.1660 216 G 3.8816 8.4265 106.4085 46.4148 0.0000 173.2842 217 S 4.6507 8.6090 115.3728 56.7413 61.9834 172.7701 *219 G 4.4222 7.9422 117.8825 45.5572 0.0000 170.7552 220 C 4.9918 8.0573 115.0425 56.3632 40.6330 173.8108 221A A 3.7899 9.3161 124.3979 53.1006 16.7755 177.2552 221 Q 4.4092 7.4502 116.1380 56.2695 29.4608 175.8925 222 K 4.2617 8.5219 122.5946 57.9264 32.5662 176.0963 223 N 4.2454 9.3106 122.5932 54.2210 37.1324 175.1837 224 K 4.3789 7.7230 114.5757 54.0503 32.3277 173.9968 225 P 4.5703 0.0000 0.0000 62.2676 32.9825 178.1507 226 G 3.5770 8.5589 106.8923 46.3918 0.0000 172.5364 227 V 4.4468 7.8754 122.8392 60.6881 33.8265 174.0374 228 Y 4.8842 8.2071 124.9055 55.9632 41.6392 175.1187 229 T 4.3485 8.5397 120.3330 63.5121 70.0929 174.3122 230 K 5.0386 9.2745 128.2535 55.5933 31.5333 177.2657 231 V 3.9926 8.8527 126.8897 65.8761 31.4170 174.9547 232 C 4.5064 8.3644 112.6692 58.4431 41.4115 175.1356 233 N 4.1367 7.9526 117.2549 54.9368 38.3540 175.1411 234 Y 4.8304 8.0090 117.2793 57.6863 39.1107 177.6668 235 V 3.6974 7.9659 121.6640 66.1191 31.6397 178.0118 236 S 4.1592 8.0854 113.6312 60.9667 63.0691 176.0428 237 W 4.1902 8.3159 131.5398 60.2568 30.4434 177.6608 238 I 2.9907 8.1631 119.9608 64.2380 36.6116 178.5237 239 K 3.7330 7.9844 119.0565 59.3629 31.6515 179.1859 240 Q 3.8626 7.7290 118.4655 59.5098 29.1176 178.2242 241 T 3.7843 7.4975 116.8741 66.4739 68.1877 176.7744 242 I 2.8306 7.3463 114.6764 63.1017 37.3359 177.8787 243 A 4.1447 7.7463 121.5574 53.8822 18.2148 178.4646 244 S 4.7065 7.4465 111.0454 58.2471 64.0695 173.9023 245 N 4.6980 7.9413 123.6429 53.5434 39.4846 174.0650 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 4.27 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 0.93 0.00 0.00 17 V 8.67 4.34 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 0.93 0.00 0.00 0.95 0.00 0.00 18 G 8.96 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 7.86 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 0.00 0.00 0.00 0.00 20 Y 7.94 4.98 0.00 2.94 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 21 T 8.56 4.26 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 1.22 0.00 0.00 22 C 8.75 4.16 0.00 2.70 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 23 G 8.51 4.04 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 0.00 0.00 0.00 24 A 8.53 4.23 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 25 N 8.81 4.26 0.00 2.89 2.92 0.00 0.00 7.18 7.55 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 26 T 7.60 4.24 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 1.23 0.00 0.00 27 V 7.03 4.03 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 0.30 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.46 0.00 2.36 2.37 0.00 3.65 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 2.17 1.98 0.00 29 Y 6.99 4.82 0.00 3.26 3.41 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 30 Q 7.49 4.52 0.00 1.76 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.53 0.00 0.00 0.00 0.00 0.00 1.88 2.39 0.00 31 V 9.05 4.85 2.26 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 1.01 0.00 0.00 1.02 0.00 0.00 32 S 8.95 4.94 0.00 3.05 3.36 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 33 L 8.58 4.56 0.00 0.68 1.06 0.79 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.95 5.86 0.00 2.55 2.51 0.00 0.00 6.53 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 *37 S 8.41 4.17 0.00 3.69 3.66 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 38 G 9.46 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 39 Y 6.50 4.62 0.00 3.16 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 40 H 8.91 4.42 0.00 2.88 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.12 5.10 0.00 3.14 3.29 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 42 C 6.85 4.77 0.00 2.13 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 43 G 8.75 4.07 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 0.00 0.00 0.00 44 G 7.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 5.41 0.00 3.80 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 46 L 9.19 4.78 0.00 1.87 1.68 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.68 4.46 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.84 0.94 0.00 0.00 48 N 7.63 4.92 0.00 2.99 3.01 0.00 0.00 6.19 7.67 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 49 S 8.77 4.37 0.00 4.22 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 0.00 50 Q 9.11 4.54 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 1.90 2.15 0.00 51 W 8.41 5.54 0.00 3.38 2.99 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 52 V 9.15 5.14 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 0.97 0.00 0.00 0.99 0.00 0.00 53 V 8.88 4.96 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 0.84 0.00 0.00 1.06 0.00 0.00 54 S 8.90 4.92 0.00 3.88 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 55 A 8.53 4.50 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 56 A 8.33 3.81 0.36 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 57 H 8.46 4.53 0.00 3.35 3.57 0.00 5.56 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 7.93 4.67 0.00 3.20 3.29 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 59 Y 7.74 4.24 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 60 K 7.09 3.88 0.00 1.28 1.24 0.00 0.84 0.00 0.00 1.22 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.02 7.81 61 S 8.03 4.29 0.00 3.96 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 62 G 8.41 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 0.00 0.00 0.00 63 I 7.59 4.08 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.93 0.00 0.00 64 Q 8.95 4.68 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 65 V 8.73 4.26 2.21 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 0.99 0.00 0.00 0.91 0.00 0.00 66 R 8.99 5.10 0.00 1.59 1.78 0.00 2.70 0.00 0.00 2.58 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.26 0.00 67 L 9.03 4.72 0.00 1.63 1.65 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.25 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.25 4.38 0.00 2.20 2.00 0.00 0.00 0.00 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 2.10 0.00 71 D 7.97 4.87 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.06 5.03 0.00 2.85 2.81 0.00 0.00 7.21 8.76 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 73 I 8.32 3.88 1.43 0.00 0.00 0.48 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 0.51 -0.38 0.00 0.00 74 N 7.97 4.72 0.00 2.73 2.89 0.00 0.00 6.59 8.02 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 75 V 7.40 4.32 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 0.78 0.00 0.00 1.01 0.00 0.00 76 V 8.49 4.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 77 E 9.25 4.46 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 78 G 8.23 4.04 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 0.00 0.00 0.00 79 N 8.11 4.89 0.00 2.65 2.82 0.00 0.00 7.17 7.67 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 80 E 7.97 4.64 0.00 1.39 1.56 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 2.54 2.48 0.00 81 Q 8.97 4.32 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 82 F 8.75 5.51 0.00 2.82 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 83 I 8.74 4.61 1.88 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 1.12 0.88 0.89 0.00 0.00 84 S 8.71 4.70 0.00 3.89 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 85 A 8.62 4.57 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 86 S 9.00 4.48 0.00 3.76 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 87 K 7.63 4.70 0.00 1.78 1.52 0.00 1.68 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 88 S 8.81 5.33 0.00 3.97 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 89 I 9.22 4.57 2.08 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 1.26 0.98 1.19 0.00 0.00 90 V 8.44 4.12 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 0.65 0.00 0.00 0.78 0.00 0.00 91 H 8.71 3.35 0.00 2.79 2.96 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.26 0.00 2.14 2.14 0.00 2.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 93 S 7.73 4.67 0.00 3.91 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 94 Y 8.04 4.25 0.00 2.92 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 95 N 8.48 4.60 0.00 2.57 2.47 0.00 0.00 6.43 7.14 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 96 S 7.57 3.90 0.00 3.97 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 97 N 8.25 4.34 0.00 2.76 2.79 0.00 0.00 6.86 6.99 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 98 T 7.78 3.91 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 1.10 0.00 0.00 99 L 7.74 3.70 0.00 1.43 1.80 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.78 4.44 0.00 2.83 2.66 0.00 0.00 7.26 6.11 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 0.00 101 N 8.74 4.99 0.00 2.95 2.65 0.00 0.00 7.27 8.28 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 0.00 102 D 7.99 4.65 0.00 3.05 2.69 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 0.00 103 I 7.18 4.80 1.50 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 1.35 1.12 0.10 0.00 0.00 104 M 9.11 5.52 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.64 0.00 105 L 9.25 5.38 0.00 1.76 1.87 0.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.20 5.01 1.92 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 1.18 0.96 0.93 0.00 0.00 107 K 8.60 3.77 0.00 0.79 1.05 0.00 1.35 0.00 0.00 1.35 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.75 0.21 7.81 108 L 8.19 4.46 0.00 1.51 1.54 0.96 0.72 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 0.00 109 K 8.83 4.15 0.00 1.58 1.84 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 110 S 7.72 4.62 0.00 3.89 3.75 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 0.00 111 A 8.41 4.41 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 8.95 4.16 1.27 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 0.00 0.00 113 S 9.15 4.42 0.00 3.87 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 0.00 114 L 8.47 4.66 0.00 1.69 1.61 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 N 9.06 4.95 0.00 2.85 2.91 0.00 0.00 6.38 7.38 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 0.00 116 S 8.81 4.20 0.00 4.01 4.07 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 0.00 117 R 8.51 4.25 0.00 1.94 2.02 0.00 3.23 0.00 0.00 3.16 7.38 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.57 4.91 0.00 3.88 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 0.00 128 C 8.49 4.40 0.00 2.92 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 0.00 129 A 8.11 4.24 1.04 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 0.00 0.00 130 S 8.21 4.18 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *132 A 8.25 4.28 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 0.00 133 G 9.08 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 0.00 134 T 7.51 3.93 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 1.14 0.00 0.00 135 Q 8.62 4.61 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 136 C 9.31 5.21 0.00 2.87 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 0.00 137 L 8.82 5.15 0.00 1.79 1.58 1.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.19 5.19 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.41 0.97 0.00 0.00 139 S 8.35 4.90 0.00 3.55 3.58 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 0.00 140 G 7.90 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 0.00 0.00 0.00 141 W 8.80 4.63 0.00 3.18 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 0.00 142 G 8.39 4.04 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 0.00 0.00 0.00 143 N 8.36 3.57 0.00 2.19 2.59 0.00 0.00 7.33 7.30 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 0.00 144 T 7.99 5.05 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 1.26 0.00 0.00 145 K 7.73 4.60 0.00 1.68 1.88 0.00 1.78 0.00 0.00 1.98 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.31 7.81 146 S 8.70 4.27 0.00 4.02 4.07 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 0.00 147 S 7.55 4.27 0.00 3.94 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 0.00 148 G 8.88 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 0.00 149 T 8.04 4.88 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 150 S 9.19 4.49 0.00 3.88 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 0.00 151 Y 8.85 4.80 0.00 2.93 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 0.00 152 P 0.00 4.58 0.00 2.44 2.09 0.00 4.04 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 2.13 2.01 0.00 153 D 8.71 4.67 0.00 2.79 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 7.47 5.35 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 1.10 0.00 0.00 0.97 0.00 0.00 155 L 8.39 3.37 0.00 1.31 1.25 -0.71 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.19 4.80 0.00 1.70 1.52 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 157 C 8.63 5.20 0.00 1.34 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 0.00 0.00 0.00 158 L 8.81 5.04 0.00 1.69 1.46 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 159 K 9.06 5.18 0.00 1.81 1.82 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.68 7.81 160 A 9.30 4.83 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 0.00 161 P 0.00 4.98 0.00 2.04 2.11 0.00 3.10 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 162 I 8.49 4.16 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.41 0.70 0.00 0.00 163 L 8.60 4.73 0.00 1.69 1.61 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.56 4.22 0.00 4.00 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 0.00 165 D 8.99 4.38 0.00 2.82 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 0.00 166 S 8.05 4.17 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 8.00 4.16 0.00 4.04 4.17 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 0.00 168 C 8.47 4.29 0.00 3.18 3.38 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 0.00 169 K 8.40 3.98 0.00 1.88 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.65 7.81 170 S 8.06 4.26 0.00 3.99 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 0.00 171 A 8.04 4.01 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 0.00 172 Y 7.74 4.82 0.00 3.10 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 0.00 173 P 0.00 4.47 0.00 2.08 2.07 0.00 3.89 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 174 G 9.11 4.02 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 0.00 0.00 0.00 175 Q 8.15 4.57 0.00 2.52 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 176 I 7.94 4.27 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.91 0.99 0.00 0.00 177 T 8.28 4.51 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 1.25 0.00 0.00 178 S 8.55 4.35 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 0.00 179 N 8.24 4.96 0.00 3.10 3.08 0.00 0.00 6.64 7.50 0.00 0.00 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 7.93 5.55 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 181 F 8.89 5.16 0.00 3.04 3.05 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 0.00 182 C 8.95 5.49 0.00 2.99 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 0.00 183 A 9.28 5.04 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 184A G 7.15 3.61 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 0.00 0.00 0.00 184 Y 8.31 4.68 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.71 4.20 0.00 1.71 1.74 0.92 0.89 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 0.00 186 E 8.22 4.12 0.00 2.09 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 0.00 2.39 2.33 0.00 187 G 7.99 3.73 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 0.00 0.00 0.00 188A G 8.81 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.41 4.89 0.00 1.71 1.84 0.00 0.99 0.00 0.00 1.34 0.00 0.00 2.57 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.49 1.21 7.81 189 D 8.77 4.67 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.83 0.00 4.06 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 0.00 191 C 9.34 4.71 0.00 2.89 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 0.00 192 Q 8.59 4.38 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 5.42 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 193 G 9.24 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 0.00 194 D 8.55 4.63 0.00 2.96 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 0.00 195 S 8.04 4.36 0.00 3.99 3.87 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 0.00 196 G 8.98 4.04 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 0.00 0.00 0.00 197 G 7.83 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 0.00 0.00 0.00 0.00 198 P 0.00 5.12 0.00 2.30 2.34 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 199 V 8.81 4.59 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 0.88 0.00 0.00 0.56 0.00 0.00 200 V 8.62 4.76 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 0.91 0.00 0.00 0.64 0.00 0.00 201 C 8.81 5.04 0.00 2.78 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 0.00 202 S 9.87 3.36 0.00 3.95 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 0.00 203 G 8.54 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 0.00 204 K 7.59 4.74 0.00 1.73 1.65 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.40 7.81 *209 L 8.29 4.19 0.00 1.50 1.62 0.99 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 0.00 210 Q 9.19 4.58 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.42 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 8.09 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.17 5.13 1.92 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 1.30 0.96 0.97 0.00 0.00 213 V 8.96 3.73 2.31 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 0.99 0.00 0.00 1.22 0.00 0.00 214 S 8.38 4.79 0.00 3.99 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 0.00 215 W 7.52 4.91 0.00 3.29 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 0.00 216 G 8.43 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 0.00 217 S 8.61 4.65 0.00 4.33 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 *219 G 7.94 4.42 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 0.00 220 C 8.06 4.99 0.00 2.95 3.05 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 221A A 9.32 3.79 1.39 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 0.00 0.00 221 Q 7.45 4.41 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 222 K 8.52 4.26 0.00 1.72 1.73 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.62 7.81 223 N 9.31 4.25 0.00 2.81 2.80 0.00 0.00 6.82 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 0.00 224 K 7.72 4.38 0.00 1.72 1.78 0.00 1.65 0.00 0.00 1.21 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.48 7.81 225 P 0.00 4.57 0.00 2.14 2.10 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 226 G 8.56 3.58 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 0.00 227 V 7.88 4.45 0.67 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 0.33 0.00 0.00 -0.68 0.00 0.00 228 Y 8.21 4.88 0.00 1.43 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 0.00 229 T 8.54 4.35 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 1.27 0.00 0.00 230 K 9.27 5.04 0.00 2.12 1.91 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.64 7.81 231 V 8.85 3.99 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 1.12 0.00 0.00 1.13 0.00 0.00 232 C 8.36 4.51 0.00 3.16 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 0.00 233 N 7.95 4.14 0.00 2.28 2.35 0.00 0.00 6.98 7.36 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 0.00 234 Y 8.01 4.83 0.00 3.26 3.29 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 0.00 235 V 7.97 3.70 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 1.02 0.00 0.00 236 S 8.09 4.16 0.00 4.12 4.13 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 0.00 237 W 8.32 4.19 0.00 3.49 3.58 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 0.00 238 I 8.16 2.99 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.71 0.00 0.00 239 K 7.98 3.73 0.00 1.78 1.77 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.53 7.81 240 Q 7.73 3.86 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 241 T 7.50 3.78 3.56 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 0.80 0.00 0.00 242 I 7.35 2.83 0.77 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 -0.53 0.00 0.00 243 A 7.75 4.14 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 0.00 244 S 7.45 4.71 0.00 3.87 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 0.00 245 N 7.94 4.70 0.00 3.09 2.97 0.00 0.00 6.79 7.67 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 * Residues marked with a * may have inaccurate shift predictions.