NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A G 3.9210 8.3544 109.7369 45.3988 0.0000 173.6961 1B S 3.9106 7.7233 113.1553 57.0373 63.5314 171.1316 1C H 4.6581 8.3562 120.1339 54.8104 31.6885 173.4184 2 R 4.5116 7.9797 117.9557 55.6421 32.0897 177.5081 3 L 4.1725 8.8546 124.3914 58.3126 42.1501 179.3510 4 D 4.4475 8.2290 119.2018 56.2164 39.4160 178.5404 5 K 4.0109 8.0862 120.6871 58.9741 32.1974 178.5077 6 F 4.1466 8.3465 121.1397 61.4373 39.3082 177.2094 7 I 3.4410 7.9540 119.2449 64.2462 36.9838 178.2992 8 A 3.8960 8.0707 121.6349 54.9390 18.2461 179.4866 9 Q 3.7786 7.8963 118.0223 59.5292 28.9921 178.5279 10 Q 3.8128 7.5620 117.6995 58.5369 28.8290 178.1239 11 L 4.2184 7.8817 117.4530 53.8990 42.2121 176.7793 12 G 3.7354 7.5283 106.0155 46.9735 0.0000 173.4864 13 V 4.4604 7.2872 111.3513 58.2520 35.3300 176.3601 14 S 4.4227 8.1413 115.4467 58.0844 65.0812 175.0414 15 R 3.8572 8.4950 122.1085 59.4920 29.4069 178.5812 16 A 4.0148 7.9369 120.2198 55.3115 18.5859 179.5045 17 I 3.7846 7.8827 117.9296 64.0143 37.1078 178.4810 18 A 4.1098 8.2163 122.2808 55.0469 18.1658 179.8643 19 G 3.5677 8.2136 104.3244 47.8228 0.0000 175.8789 20 R 3.9262 7.6507 120.5087 59.3695 29.9920 178.5555 21 E 4.0645 8.1700 118.0673 59.4679 29.4050 179.3252 22 I 3.7706 8.0341 119.9916 64.5994 36.8481 178.6881 23 R 4.2313 8.3739 118.6443 58.4229 29.6310 178.2930 24 G 3.9355 7.7621 103.6031 44.3665 0.0000 173.3390 25 N 4.2809 7.5137 115.2726 54.2255 36.6494 175.1222 26 R 4.2778 7.6827 116.6324 56.4250 31.6857 175.9648 27 V 4.8955 7.6470 120.0035 61.2411 34.3720 174.0612 28 T 5.1405 9.0247 121.8111 60.1759 71.3275 172.7322 29 V 4.6404 8.3783 126.1375 60.4364 34.5154 175.3418 30 D 4.4887 10.1650 125.9201 55.1805 38.8891 175.1331 31 G 3.9848 8.5376 107.2150 45.2538 0.0000 173.9757 32 E 4.6148 7.7122 119.5334 54.1809 31.4128 175.4997 33 I 4.1561 8.1863 123.7942 61.2364 37.7022 175.6053 34 V 4.2388 8.0640 124.7781 61.3070 33.0766 175.2466 35 R 4.8544 8.5928 123.9001 55.1096 30.8009 175.0646 36 N 4.7600 7.8108 118.1013 51.5567 39.7710 175.2828 37 A 4.0410 8.7031 129.5457 54.9487 18.6718 178.1110 38 A 4.4210 8.2721 116.4939 52.1308 19.2701 177.1407 39 F 3.8899 8.1435 119.6928 58.8789 40.4543 174.4082 40 K 4.4229 7.8536 127.4291 55.4331 31.9929 175.5023 41 L 4.6078 8.5455 130.8704 54.6552 43.3572 175.6829 42 L 4.7297 8.6682 125.2892 52.0242 44.4727 175.3503 43 P 4.3052 0.0000 0.0000 65.9168 31.2959 177.8531 44 E 4.1197 7.9495 113.9229 58.4697 29.9579 176.9245 45 H 4.5965 7.9695 117.4539 55.8098 29.4816 174.4180 46 D 4.8848 9.3902 123.0602 52.7067 43.2634 175.3649 47 V 4.7341 8.3330 123.7891 61.7751 33.5854 174.4733 48 A 4.9985 9.2707 128.0097 50.2615 23.0752 174.2767 49 Y 4.8335 9.1415 121.8711 56.1602 41.4452 175.2174 50 D 4.2663 9.6391 126.1645 55.2171 39.1307 174.5679 51 G 4.0266 8.4138 108.8513 45.5331 0.0000 174.4372 52 N 4.6024 8.1223 118.2734 52.0347 39.1141 172.7168 53 P 4.7954 0.0000 0.0000 62.6279 32.3273 176.1289 54 L 4.7475 9.0268 124.4981 52.5716 43.0618 176.2375 55 A 4.1724 8.6042 125.8424 51.8515 19.3470 176.7670 56 Q 4.2926 8.7926 122.9746 56.1589 29.3626 176.6991 *57 Q 4.3616 8.7420 122.6953 53.2689 27.8472 171.6675 58 H 4.2745 8.1995 120.6443 54.3237 28.9712 175.8342 59 G 4.0183 8.7332 113.2490 44.8160 0.0000 170.6788 60 P 4.5575 0.0000 0.0000 62.3580 32.1981 175.6945 61 R 4.5083 8.4817 120.1664 54.6720 33.8213 174.4974 62 Y 4.5025 7.4766 117.8087 56.4386 42.0323 173.5544 63 F 5.4228 8.5529 123.5147 56.0611 41.3372 173.1792 65 L 4.7740 7.6014 125.0168 55.9898 46.5650 173.7528 66 N 4.6111 8.2753 125.5754 51.7692 39.6321 173.3423 67 K 4.3449 8.9317 129.3541 55.7549 33.3500 174.6109 68 P 4.9678 0.0000 0.0000 61.3103 33.6067 174.9775 69 Q 4.4093 8.5172 118.9273 56.7594 29.3298 177.2715 70 G 3.9555 9.2000 109.1330 45.5902 0.0000 173.1904 71 Y 4.8120 7.7936 116.3478 56.1319 41.5937 174.9065 72 V 4.4621 8.4455 114.9924 60.3046 34.4084 175.8386 73 C 4.6799 8.2431 116.5777 59.3317 28.3506 173.6775 74 S 4.5911 7.6462 112.5130 58.6029 64.4445 175.2206 75 T 4.4558 8.4717 108.9883 61.5927 69.0102 175.2191 76 D 4.4696 7.9907 123.2691 57.2720 40.9519 176.4045 77 D 4.8332 7.9112 117.1500 52.1523 42.3449 173.9816 78 P 4.5837 0.0000 0.0000 63.2640 31.8534 176.3167 79 D 4.5208 9.6857 118.3639 55.5962 41.1736 175.8808 80 H 5.0981 7.5334 115.1898 52.9803 33.0144 171.5206 81 P 4.5802 0.0000 0.0000 63.0808 32.9446 175.6945 82 T 5.0689 8.4203 111.5883 60.8203 71.0245 175.9971 83 V 4.1072 8.7627 115.2937 63.7066 31.5806 178.4841 84 L 4.0099 7.8866 119.1390 57.1215 41.1261 178.3774 85 Y 4.0436 7.7770 119.2541 60.4607 38.7296 176.9261 86 F 4.0755 8.0418 116.7658 58.3880 39.5774 175.4920 87 L 3.8422 7.1459 120.9100 53.3979 42.4994 176.7175 88 D 4.8594 8.3465 123.1592 52.1551 40.5695 174.5199 89 E 4.7795 7.5764 119.9898 52.9962 34.0922 173.9369 90 P 4.3032 0.0000 0.0000 63.8818 32.4262 176.4398 91 V 2.8718 8.3318 110.7964 62.1080 29.2662 175.7486 92 A 3.8474 7.5832 124.0204 54.5161 18.6687 179.9966 93 W 4.3862 7.3694 111.3406 58.2530 28.2940 177.0261 94 K 4.1270 6.8614 117.9819 57.4615 31.8598 176.7665 95 L 4.8152 7.4872 119.8928 54.1253 42.5722 175.7928 96 H 5.1641 8.9993 117.5082 53.6195 32.1937 172.5096 97 A 4.4873 8.6853 121.0999 51.2791 19.0846 178.5812 98 A 4.2759 8.8406 128.4653 48.0786 16.7100 176.1747 99 G 3.9943 8.2598 107.8202 44.7219 0.0000 172.0746 100 R 4.4474 8.3454 124.8450 54.9737 31.3563 176.3727 101 L 4.8192 8.0177 118.8002 52.6190 45.4023 176.2562 102 D 4.5798 8.4425 121.4620 53.7773 42.4365 176.7348 103 I 3.9226 8.4267 120.4899 63.2564 37.7213 176.7596 104 D 4.7967 7.9884 116.0644 54.2435 40.9845 175.8152 105 T 4.5861 7.5975 116.2067 62.3504 69.9084 174.2664 106 T 4.7246 8.5224 114.9498 59.6770 72.0672 171.8454 107 G 3.3404 8.3599 105.3366 43.4527 0.0000 171.9288 108 L 4.3553 8.0268 123.2593 55.7943 42.7825 178.2745 109 V 4.5101 8.6507 125.6334 61.3094 35.2651 174.7915 110 L 5.3276 8.3797 126.6399 52.7460 45.1935 174.6891 *112 T 4.4463 8.3705 113.5341 62.2131 68.8204 173.2689 113 D 4.8872 8.0792 120.1712 52.6297 40.9942 176.1921 114 D 4.7345 8.0935 120.4272 53.1179 41.2003 176.6755 115 G 3.7848 8.5062 114.6263 47.6694 0.0000 173.2920 116 Q 4.1227 8.2422 119.8824 58.5126 28.8952 178.1147 117 W 4.2510 8.9693 129.6662 60.4894 30.6883 177.8903 118 S 4.2424 8.5661 113.0372 61.8916 61.8654 175.6267 119 H 4.1078 8.4009 120.8626 59.2596 29.3219 177.0075 120 R 3.9290 7.6871 119.3590 59.4209 29.8820 178.1918 121 I 3.8480 6.9527 117.4661 63.8246 37.4394 177.6758 122 T 4.2262 7.8193 108.3419 61.4010 69.6482 175.1593 123 S 3.8880 7.6458 117.7805 58.2900 62.5620 173.3385 124 P 4.3522 0.0000 0.0000 64.8049 31.2677 177.3467 125 R 4.2328 7.5888 115.7114 57.1937 30.5289 176.2244 126 H 4.7698 7.7756 115.0553 54.6437 30.2280 174.5217 127 H 4.6224 8.5521 121.6287 54.7865 29.4278 173.3112 128 C 4.7672 8.0951 127.1337 57.3213 34.5699 172.6994 129 E 4.5703 8.7200 125.9351 56.2224 30.8357 175.9032 130 K 4.9790 9.0311 122.0638 54.9173 36.5567 175.2268 131 T 5.1480 8.3221 120.3527 62.0140 71.3764 172.8946 132 Y 5.1085 9.2138 123.1962 56.0675 42.3597 174.3689 133 L 4.9659 9.2494 124.8359 53.7342 43.9406 175.1182 134 V 4.7935 9.2820 127.3651 61.3765 34.4015 174.1868 135 T 4.9039 8.4768 124.2158 61.9557 70.4187 173.5998 136 L 4.9113 8.5334 126.9489 52.8639 43.5798 176.6011 137 E 4.1464 8.8799 123.0141 58.7892 30.0370 177.2714 138 S 4.8061 7.9954 112.5089 55.3737 66.7706 171.6799 139 P 4.6396 0.0000 0.0000 62.9462 31.5315 176.7800 140 V 3.8418 8.4301 124.1072 61.9105 32.1522 176.0308 141 A 4.3535 8.6032 125.4414 51.7531 19.1850 178.1981 142 D 4.4265 8.9238 120.2980 55.1345 39.9021 176.6551 143 D 4.7420 7.7868 118.5685 53.6250 40.4896 178.2430 144 T 3.5631 7.7071 117.6450 66.5650 68.2263 176.1816 145 A 3.7871 7.6933 122.2944 55.0559 18.4943 179.3705 146 E 3.9011 8.0130 116.5536 59.5606 29.6534 179.0795 147 Q 4.0266 8.1629 118.2302 59.5084 28.9207 179.6256 148 F 4.5090 8.6715 118.4134 60.3047 38.6206 177.7800 149 A 4.0591 7.9552 120.0692 55.1516 18.2853 179.5387 150 K 4.0950 8.4043 116.5046 58.1747 32.6360 178.0130 151 G 4.1451 7.7850 106.3515 45.2876 0.0000 173.4100 152 V 4.3859 8.5095 115.5174 59.2529 34.6002 174.3270 153 Q 4.7558 8.2395 121.8568 54.2250 30.2898 175.3733 154 L 4.1754 8.2397 125.0724 54.1124 42.5155 176.0426 155 H 3.8950 8.7163 120.6768 57.5836 30.0754 175.1135 156 N 4.1136 8.7686 128.6167 55.1768 35.3419 174.6059 157 E 4.7716 7.5643 111.4493 53.8546 33.6809 177.1998 158 K 4.2003 7.9939 119.8486 59.0554 32.9042 177.3378 159 D 4.5386 7.5687 121.2161 54.1377 41.8135 176.4985 160 L 4.5602 8.1101 122.0476 54.6364 42.4485 176.6837 161 T 4.3051 8.7209 111.5815 61.1031 70.1386 174.6682 162 K 4.2029 8.7980 123.9804 55.6330 32.9760 175.0427 163 P 4.6365 0.0000 0.0000 63.9535 31.3297 175.2832 164 A 4.8981 8.7874 123.6858 50.3028 22.5793 175.3917 165 V 4.4161 8.3737 113.5210 59.5751 34.0542 174.6868 166 L 5.2538 8.6159 126.8522 53.1878 44.4444 174.7865 167 E 4.6690 9.1769 127.0215 54.2870 32.3706 174.8985 168 V 4.1246 8.5267 127.1614 62.6392 32.5638 174.8436 169 I 4.2207 8.5883 128.2244 62.7434 38.4571 175.6884 170 T 4.7861 7.3139 108.0108 58.6321 72.1248 172.6326 171 P 4.2591 0.0000 0.0000 65.3530 31.4012 177.7658 172 T 4.6034 7.7610 107.0923 60.8504 69.1218 172.8582 173 Q 4.9499 8.0178 123.3122 55.0305 32.1068 174.3140 174 V 5.0251 9.0339 119.0533 59.6162 36.7151 174.2233 175 R 5.1014 8.9374 122.6531 54.6016 32.5727 174.3422 176 L 5.3505 9.2682 127.9406 53.6592 45.7383 174.8420 177 T 5.3012 9.0084 122.9571 61.8102 71.1704 173.3709 178 I 5.0085 8.7055 119.3674 58.9670 41.3784 176.0258 179 S 4.8488 8.5894 114.9418 57.2405 63.3672 173.3740 180 E 4.7619 7.8264 121.0296 55.5187 31.7637 176.4835 181 G 4.2123 8.2233 107.2960 45.8284 0.0000 173.4060 182 R 4.0497 7.9150 118.4766 55.6191 30.6131 176.2206 183 Y 4.0211 8.5613 121.2067 59.3070 39.1401 175.5453 184 H 3.9267 8.5902 124.6831 56.3972 26.7700 176.9124 185 Q 3.8597 8.3640 120.6466 59.3668 29.1972 177.6646 186 V 3.6631 7.6251 115.6224 65.8815 32.1078 177.0916 187 K 4.2066 7.9917 118.8104 59.6382 32.2648 179.4999 188 R 4.5047 7.8336 118.2602 56.3399 29.5497 178.5998 *190 F 4.7308 8.1916 118.1829 57.5435 41.3569 177.6851 191 A 4.3478 8.4007 122.4688 54.5187 18.3901 179.4441 192 A 4.0444 8.0759 117.9766 55.0868 18.4612 178.6468 193 V 4.1082 7.9405 106.2579 61.3682 31.8039 176.6267 194 G 3.9681 8.4240 108.1792 45.3075 0.0000 172.9470 195 N 5.2763 8.6712 119.7943 52.1079 41.7453 171.8708 196 H 5.0984 8.7918 116.7138 55.0475 33.7080 173.6460 197 V 3.8392 8.2578 126.3918 62.9398 31.3058 175.4446 198 V 4.0421 8.9337 128.6550 64.5020 32.6810 175.7600 199 E 4.8357 7.7634 117.4651 54.7137 34.5605 174.3670 200 L 5.1079 8.3028 123.0894 54.0273 46.0214 174.0505 201 H 5.3847 9.2342 125.6723 54.4703 33.2458 171.7164 202 R 4.3763 8.9935 127.2052 55.6556 30.7432 176.3354 203 E 4.3222 8.8863 125.5966 57.3592 31.8105 175.7602 204 R 5.0186 7.3411 117.7423 55.2533 34.1333 174.3160 205 I 4.6238 8.5234 124.6290 60.5109 41.3385 175.8042 206 G 3.6795 8.6566 117.2827 47.1578 0.0000 173.7309 207 G 3.9739 9.5171 113.8795 44.8989 0.0000 172.5871 208 I 4.5017 7.9896 121.6797 59.3787 39.3296 174.5643 209 T 5.0212 8.1712 121.1911 61.1115 71.2801 173.7978 210 L 4.0803 8.6486 128.5550 55.1427 42.7051 176.5602 211 D 4.5457 8.8791 125.7461 54.4981 41.3671 177.6665 212 A 3.9986 8.8950 125.5694 54.4976 18.6783 177.9321 213 D 4.7309 7.9828 113.4129 52.9063 39.6745 175.7598 214 L 4.2808 7.4581 122.4234 53.8232 41.9814 176.3062 215 A 4.2383 9.0373 130.5152 50.7015 19.0874 174.7971 216 P 4.4418 0.0000 0.0000 64.4581 31.6026 176.3868 217 G 3.0962 8.8047 110.5330 45.1328 0.0000 173.8446 218 E 4.3887 8.0738 119.3070 56.2943 30.3085 175.0294 219 Y 5.1339 7.8185 117.5720 56.4083 41.0694 173.8714 220 R 4.5790 8.2565 115.0850 54.1296 32.1866 172.5646 221 P 4.6410 0.0000 0.0000 62.6041 31.9835 176.4123 222 L 4.5181 8.4082 123.5572 54.6624 42.6541 177.1649 223 T 4.1317 9.0705 112.5140 61.2604 70.1608 175.4971 224 E 3.8467 8.7936 121.8145 59.5551 29.1580 179.3737 225 E 3.9119 7.9568 118.1033 59.2608 30.0048 178.1800 226 E 4.1345 8.2324 118.6711 59.3301 29.2621 179.4186 227 I 3.6813 7.4580 118.6582 64.3024 37.3079 177.9264 228 A 4.3923 7.6341 118.1027 53.2211 18.2102 177.9925 229 S 4.5854 7.6734 112.3274 58.5704 64.8938 176.0255 230 V 3.7184 8.4112 123.1369 63.4903 31.4521 181.1317 231 V 3.9793 7.4402 120.7030 61.4823 32.3576 172.7333 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 1A G 8.35 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 1B S 7.72 3.91 0.00 3.90 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 1C H 8.36 4.66 0.00 3.27 3.25 0.00 5.37 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.98 4.51 0.00 1.94 2.09 0.00 3.15 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 3 L 8.85 4.17 0.00 2.07 1.81 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.23 4.45 0.00 3.02 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 5 K 8.09 4.01 0.00 1.89 2.05 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.52 7.81 6 F 8.35 4.15 0.00 3.13 3.26 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 7 I 7.95 3.44 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.91 0.77 0.00 0.00 8 A 8.07 3.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.90 3.78 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 10 Q 7.56 3.81 0.00 1.74 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 1.53 1.32 0.00 11 L 7.88 4.22 0.00 1.38 1.50 0.09 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.53 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 0.00 0.00 0.00 13 V 7.29 4.46 2.05 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 0.76 0.00 0.00 0.86 0.00 0.00 14 S 8.14 4.42 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.49 3.86 0.00 1.90 1.97 0.00 3.35 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 16 A 7.94 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.88 3.78 1.87 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 1.46 1.00 0.90 0.00 0.00 18 A 8.22 4.11 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 19 G 8.21 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 3.93 0.00 1.92 2.14 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 21 E 8.17 4.06 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 22 I 8.03 3.77 2.05 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 1.58 1.53 1.02 0.00 0.00 23 R 8.37 4.23 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 24 G 7.76 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 25 N 7.51 4.28 0.00 2.87 2.91 0.00 0.00 6.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.68 4.28 0.00 1.70 1.66 0.00 3.06 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 27 V 7.65 4.90 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 1.03 0.00 0.00 1.12 0.00 0.00 28 T 9.02 5.14 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 1.22 0.00 0.00 29 V 8.38 4.64 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 0.25 0.00 0.00 0.71 0.00 0.00 30 D 10.17 4.49 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.54 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.71 4.61 0.00 1.99 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 0.00 2.23 2.23 0.00 33 I 8.19 4.16 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.43 0.88 0.00 0.00 34 V 8.06 4.24 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.41 0.00 0.00 35 R 8.59 4.85 0.00 1.83 1.92 0.00 3.37 0.00 0.00 3.22 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 36 N 7.81 4.76 0.00 2.79 2.84 0.00 0.00 7.01 8.29 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 37 A 8.70 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.27 4.42 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 39 F 8.14 3.89 0.00 3.34 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 40 K 7.85 4.42 0.00 1.62 1.42 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.27 1.29 7.81 41 L 8.55 4.61 0.00 1.94 1.54 0.90 -0.13 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 42 L 8.67 4.73 0.00 1.44 1.43 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.31 0.00 2.02 2.14 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 44 E 7.95 4.12 0.00 2.06 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 0.00 2.19 2.17 0.00 45 H 7.97 4.60 0.00 3.29 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.39 4.88 0.00 2.54 2.58 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 47 V 8.33 4.73 2.24 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 1.06 0.00 0.00 0.70 0.00 0.00 48 A 9.27 5.00 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 49 Y 9.14 4.83 0.00 3.00 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 50 D 9.64 4.27 0.00 2.53 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.12 4.60 0.00 2.93 2.81 0.00 0.00 6.86 7.63 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 53 P 0.00 4.80 0.00 1.97 2.02 0.00 3.65 0.00 0.00 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0.00 0.00 0.00 1.49 1.43 0.00 62 Y 7.48 4.50 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.55 5.42 0.00 3.13 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 65 L 7.60 4.77 0.00 1.91 1.67 0.87 0.61 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 66 N 8.28 4.61 0.00 2.82 2.81 0.00 0.00 6.68 6.44 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 67 K 8.93 4.34 0.00 1.90 1.72 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.58 7.81 68 P 0.00 4.97 0.00 2.11 1.83 0.00 3.56 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.06 0.00 69 Q 8.52 4.41 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.67 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 70 G 9.20 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 71 Y 7.79 4.81 0.00 3.20 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 72 V 8.45 4.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.14 0.00 0.00 73 C 8.24 4.68 0.00 3.02 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 74 S 7.65 4.59 0.00 3.97 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 75 T 8.47 4.46 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 1.26 0.00 0.00 76 D 7.99 4.47 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.91 4.83 0.00 2.66 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 78 P 0.00 4.58 0.00 2.06 2.05 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 79 D 9.69 4.52 0.00 2.47 2.48 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.35 4.86 0.00 2.64 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 89 E 7.58 4.78 0.00 1.74 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 90 P 0.00 4.30 0.00 2.14 2.04 0.00 3.88 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 1.94 1.98 0.00 91 V 8.33 2.87 1.16 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 0.70 0.00 0.00 0.62 0.00 0.00 92 A 7.58 3.85 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 93 W 7.37 4.39 0.00 3.60 3.28 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 94 K 6.86 4.13 0.00 1.40 1.61 0.00 1.16 0.00 0.00 1.36 0.00 0.00 2.73 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.30 0.21 7.81 95 L 7.49 4.82 0.00 1.55 1.55 0.71 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 H 9.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.60 4.59 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 1.34 0.00 0.00 106 T 8.52 4.72 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 1.27 0.00 0.00 107 G 8.36 3.34 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 0.00 108 L 8.03 4.36 0.00 1.58 1.53 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.65 4.51 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 0.98 0.00 0.00 1.02 0.00 0.00 110 L 8.38 5.33 0.00 1.84 1.98 0.96 0.97 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 *112 T 8.37 4.45 4.23 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 1.33 0.00 0.00 113 D 8.08 4.89 0.00 2.56 2.68 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 0.00 0.00 0.00 0.00 114 D 8.09 4.73 0.00 2.38 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 0.00 115 G 8.51 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.24 4.12 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 117 W 8.97 4.25 0.00 3.79 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.57 4.24 0.00 4.33 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 0.00 119 H 8.40 4.11 0.00 3.36 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.69 3.93 0.00 2.00 2.04 0.00 3.25 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 121 I 6.95 3.85 1.76 0.00 0.00 -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 1.16 0.22 0.75 0.00 0.00 122 T 7.82 4.23 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 1.25 0.00 0.00 123 S 7.65 3.89 0.00 3.36 3.18 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 0.00 124 P 0.00 4.35 0.00 2.06 2.09 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 125 R 7.59 4.23 0.00 1.80 1.99 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 126 H 7.78 4.77 0.00 3.19 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.55 4.62 0.00 3.10 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.10 4.77 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.72 4.57 0.00 1.94 1.82 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 2.33 2.27 0.00 130 K 9.03 4.98 0.00 1.77 1.43 0.00 1.46 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.46 7.81 131 T 8.32 5.15 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 1.27 0.00 0.00 132 Y 9.21 5.11 0.00 2.95 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 0.00 133 L 9.25 4.97 0.00 1.92 1.63 0.95 0.85 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 0.00 134 V 9.28 4.79 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 1.04 0.00 0.00 135 T 8.48 4.90 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 1.17 0.00 0.00 136 L 8.53 4.91 0.00 1.46 1.61 0.78 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.88 4.15 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 138 S 8.00 4.81 0.00 3.86 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 0.00 139 P 0.00 4.64 0.00 1.93 2.00 0.00 3.69 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 2.03 2.10 0.00 140 V 8.43 3.84 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 0.64 0.00 0.00 0.92 0.00 0.00 141 A 8.60 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.92 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 0.00 143 D 7.79 4.74 0.00 2.81 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 0.00 144 T 7.71 3.56 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 145 A 7.69 3.79 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 0.00 146 E 8.01 3.90 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 147 Q 8.16 4.03 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 148 F 8.67 4.51 0.00 3.07 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 0.00 149 A 7.96 4.06 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 0.00 150 K 8.40 4.09 0.00 1.71 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.61 7.81 151 G 7.78 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.51 4.39 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 0.80 0.00 0.00 0.73 0.00 0.00 153 Q 8.24 4.76 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.04 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 154 L 8.24 4.18 0.00 1.67 1.59 0.90 1.04 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 0.00 155 H 8.72 3.89 0.00 3.13 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.77 4.11 0.00 2.87 2.85 0.00 0.00 6.80 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 0.00 157 E 7.56 4.77 0.00 1.92 1.65 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 0.00 2.11 1.86 0.00 158 K 7.99 4.20 0.00 1.73 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 159 D 7.57 4.54 0.00 2.65 2.59 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 0.00 0.00 0.00 0.00 160 L 8.11 4.56 0.00 1.51 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.72 4.31 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 0.00 162 K 8.80 4.20 0.00 1.65 1.79 0.00 1.61 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.44 7.81 163 P 0.00 4.64 0.00 2.09 2.20 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 164 A 8.79 4.90 1.24 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 0.00 165 V 8.37 4.42 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 0.72 0.00 0.00 0.98 0.00 0.00 166 L 8.62 5.25 0.00 1.70 1.51 0.72 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 167 E 9.18 4.67 0.00 2.06 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 0.00 2.20 2.23 0.00 168 V 8.53 4.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 169 I 8.59 4.22 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.92 0.00 0.00 170 T 7.31 4.79 4.23 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 1.21 0.00 0.00 171 P 0.00 4.26 0.00 2.23 2.35 0.00 3.65 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 2.07 1.96 0.00 172 T 7.76 4.60 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 173 Q 8.02 4.95 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 174 V 9.03 5.03 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 0.75 0.00 0.00 1.05 0.00 0.00 175 R 8.94 5.10 0.00 1.90 1.80 0.00 3.24 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 176 L 9.27 5.35 0.00 2.01 1.68 1.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 177 T 9.01 5.30 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 1.28 0.00 0.00 178 I 8.71 5.01 1.86 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 1.45 1.00 0.87 0.00 0.00 179 S 8.59 4.85 0.00 3.62 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.44 1.33 7.81 188 R 7.83 4.50 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 *190 F 8.19 4.73 0.00 3.25 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 0.00 191 A 8.40 4.35 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.08 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.94 4.11 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 0.90 0.00 0.00 1.08 0.00 0.00 194 G 8.42 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 0.00 195 N 8.67 5.28 0.00 2.83 2.91 0.00 0.00 6.61 7.80 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 0.00 196 H 8.79 5.10 0.00 3.23 3.09 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 V 8.26 3.84 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 0.68 0.00 0.00 0.80 0.00 0.00 198 V 8.93 4.04 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 0.79 0.00 0.00 0.98 0.00 0.00 199 E 7.76 4.84 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 200 L 8.30 5.11 0.00 1.66 1.44 0.86 0.62 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 0.00 201 H 9.23 5.38 0.00 3.29 3.13 0.00 5.82 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 R 8.99 4.38 0.00 1.73 1.63 0.00 2.77 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.05 0.00 203 E 8.89 4.32 0.00 1.89 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 2.29 2.22 0.00 204 R 7.34 5.02 0.00 1.79 1.62 0.00 3.23 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 205 I 8.52 4.62 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.42 0.83 0.00 0.00 206 G 8.66 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 G 9.52 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 0.00 208 I 7.99 4.50 1.90 0.00 0.00 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 1.35 0.73 0.96 0.00 0.00 209 T 8.17 5.02 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 0.00 210 L 8.65 4.08 0.00 1.59 1.58 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 211 D 8.88 4.55 0.00 2.64 2.77 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 0.00 212 A 8.89 4.00 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 0.00 213 D 7.98 4.73 0.00 2.77 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 0.00 214 L 7.46 4.28 0.00 1.55 1.64 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 215 A 9.04 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 216 P 0.00 4.44 0.00 2.10 2.02 0.00 3.73 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 1.96 1.95 0.00 217 G 8.80 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 0.00 0.00 0.00 218 E 8.07 4.39 0.00 2.17 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 2.31 2.22 0.00 219 Y 7.82 5.13 0.00 3.04 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 0.00 220 R 8.26 4.58 0.00 1.95 1.95 0.00 2.96 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 221 P 0.00 4.64 0.00 1.91 1.84 0.00 3.70 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 2.08 2.40 0.00 222 L 8.41 4.52 0.00 1.35 1.52 1.03 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 0.00 223 T 9.07 4.13 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 1.19 0.00 0.00 224 E 8.79 3.85 0.00 1.97 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 2.29 0.00 225 E 7.96 3.91 0.00 1.92 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 2.28 2.45 0.00 226 E 8.23 4.13 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 227 I 7.46 3.68 1.71 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.26 0.04 0.00 0.00 228 A 7.63 4.39 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 0.00 229 S 7.67 4.59 0.00 3.87 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 0.00 230 V 8.41 3.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 231 V 7.44 3.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.