NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 T 4.2607 8.1593 112.9120 60.8158 70.5183 173.1704 14 I 4.2323 7.4997 115.3134 59.0632 40.3676 173.3304 15 F 5.0414 8.1257 120.0691 56.5546 41.0228 177.4327 16 S 4.7877 8.3077 118.6960 55.8366 64.1414 173.6497 17 P 4.2529 0.0000 0.0000 65.2645 31.1728 177.7739 18 E 4.0688 8.0598 116.4365 57.1696 30.0999 176.6966 19 G 3.7287 8.6519 107.1681 45.8778 0.0000 173.2340 20 R 4.5668 8.0494 115.9372 53.4308 34.5590 175.4911 21 L 4.7177 8.0382 121.5965 53.6073 42.3599 176.7564 22 Y 3.5409 7.7628 119.1495 61.6522 37.8012 178.3377 23 Q 3.8961 8.0968 119.3049 59.4614 29.1617 180.0475 24 V 3.5774 7.4763 118.4466 65.9712 31.7161 177.5760 25 E 4.0186 8.3023 118.6034 59.9716 29.3992 179.1405 26 Y 4.3815 8.4544 116.7314 60.9129 37.8809 178.4529 27 A 4.0380 8.2080 121.8129 55.4133 18.5704 179.4891 28 L 3.9498 8.1380 117.4364 57.9766 41.4088 179.5430 29 E 3.8313 7.7650 117.9065 59.3847 30.0830 178.1441 30 S 4.3029 8.0375 113.1577 61.8092 62.2924 176.3672 31 I 3.6867 7.8555 122.2681 64.3997 36.8695 178.5166 32 S 4.4169 8.0296 114.6970 61.2429 62.3640 175.2339 33 H 4.6981 7.5639 117.0420 55.3529 29.3031 174.7564 34 A 4.5179 7.9230 124.3700 50.2872 20.9519 177.3168 35 G 4.2060 8.5007 107.0050 46.0820 0.0000 172.1272 36 T 5.0489 8.3531 115.8869 62.1310 70.5184 173.9605 37 A 5.1350 8.9173 127.0189 50.2166 22.6177 175.0459 38 I 4.8429 9.4178 121.6809 59.4254 42.0504 174.7797 39 G 4.2323 9.3385 112.4202 44.5219 0.0000 171.3579 40 I 4.6982 8.7824 126.8259 59.5849 40.3152 174.5361 41 M 4.6389 9.1458 128.5875 54.3867 32.3396 175.6308 42 A 4.5559 8.3108 131.2368 51.2123 20.6514 176.5394 43 S 4.5383 7.9772 111.1220 59.9315 63.3673 174.5000 44 D 4.8812 8.5675 120.6131 50.8550 40.0041 175.1410 45 G 4.1074 6.1255 106.6952 47.9670 0.0000 171.6158 46 I 5.2146 7.4417 118.8873 59.4407 41.6953 174.9375 47 V 4.9029 8.9197 125.0345 61.2201 34.8342 174.3290 48 L 5.1795 8.6741 124.9050 53.1541 45.8838 175.3301 49 A 4.5584 9.1688 124.1367 50.2237 23.0738 174.7325 50 A 4.9024 8.9269 121.4210 50.5539 23.4809 174.8359 51 E 4.7377 9.2419 123.6140 54.9507 31.2561 175.6113 52 R 4.2848 8.9911 126.9802 55.8051 30.9557 176.3110 53 K 4.0432 8.6243 123.9501 56.4002 33.3185 176.5928 54 V 3.0038 8.3979 119.2371 64.2885 29.7561 172.1384 55 T 4.5843 7.6615 116.4607 61.4864 71.9326 171.8371 56 S 4.4846 7.7712 113.5616 58.3715 64.9184 176.8276 57 T 3.9904 8.5110 118.9101 66.0934 68.2398 176.0845 58 L 4.2523 7.5570 119.4433 55.7010 42.2014 177.0737 59 L 3.9007 7.1981 120.7126 54.7660 42.3385 176.1076 60 E 4.2166 8.5902 127.0935 55.4658 28.5928 175.5823 61 Q 4.1505 8.4717 128.4065 57.9632 29.5456 177.0440 62 D 4.4474 8.0652 117.0307 57.8335 41.1810 178.2921 63 T 4.4543 7.5363 114.8669 63.9734 68.9040 174.7238 63A S 4.8173 7.6662 114.2353 57.2109 65.1099 174.0728 64 T 4.4005 7.9756 121.6280 62.9059 69.7983 172.9645 65 E 4.7973 8.3761 120.8860 54.3982 31.4470 177.0788 66 K 4.5600 8.6201 116.6237 55.5230 35.8911 175.5708 67 L 5.0205 7.8264 119.3381 53.0687 43.4634 175.5735 68 Y 4.9322 8.9344 121.8670 55.8702 41.9139 174.9875 69 K 4.3071 8.8753 124.0796 55.7857 33.2930 176.1938 70 L 4.4083 8.5737 126.2313 56.4907 42.8712 176.1161 71 N 4.8939 7.5677 113.9967 52.2852 41.6349 174.4939 72 D 4.5621 8.7931 121.4187 56.5190 41.1705 177.6392 73 K 4.6739 8.0834 116.0692 55.9551 33.3103 175.2966 74 I 5.3563 8.0267 120.2058 59.6910 41.5968 174.1205 75 A 5.3120 9.5265 127.5053 50.3856 22.9583 175.1626 76 V 4.9760 9.0883 111.8165 59.6027 36.5330 174.4522 77 A 5.1731 9.2289 125.1822 50.3326 21.4549 175.7724 78 V 4.7013 8.8100 121.8959 61.0915 34.0111 175.2887 79 A 4.3071 9.3232 128.3156 52.3022 21.4855 174.4530 80 G 3.6799 8.4458 112.7374 45.5808 0.0000 171.9832 81 L 4.1587 8.7130 125.2077 54.7011 42.2207 177.7630 82 T 3.9071 8.9178 121.1654 66.7146 68.3211 176.1960 83 A 3.9894 7.9781 121.8232 55.4743 18.4009 179.1145 84 D 4.5057 8.2606 116.6180 57.7101 40.7817 178.5687 85 A 3.9828 8.1986 121.1384 55.2312 18.3639 179.1596 86 E 3.6393 8.4201 116.3160 59.7263 29.7331 180.1352 87 I 3.6798 7.5745 119.1771 64.5398 37.3142 178.5176 88 L 3.8378 7.5457 119.5009 57.6107 41.3416 179.7758 89 I 3.4902 7.9002 120.1365 64.2451 37.0599 177.5367 90 N 4.1717 8.3385 118.4874 57.3182 38.6424 176.9588 91 T 3.8528 7.8283 110.0127 64.4241 68.7293 176.2712 92 A 3.8667 7.7221 123.6949 55.2462 18.4874 179.4685 93 R 4.0214 8.4096 116.6729 59.6842 30.0980 179.4085 94 I 3.6559 7.8672 119.2508 64.7822 37.2234 177.7624 95 H 4.1605 8.4830 119.0345 59.4769 29.6084 176.5597 96 A 3.9099 8.1021 122.2952 55.5590 18.1441 179.4931 97 Q 4.0056 8.1907 115.5532 59.0777 28.8236 178.9739 98 N 4.3083 8.5835 117.8398 56.6477 38.6690 176.6566 99 Y 4.1071 8.0771 120.6641 60.5944 38.7642 177.9353 100 L 4.3154 7.9238 122.2922 57.4954 42.0205 178.7759 101 K 4.0494 8.1339 118.4563 60.0180 32.2727 178.4709 102 T 3.7270 7.9910 114.8125 65.9758 68.6824 175.2215 103 Y 4.5085 8.2640 116.2554 56.3077 39.4425 176.0706 104 N 4.7325 9.1291 116.9638 53.9597 36.4318 173.8088 105 E 4.8304 7.6101 113.3699 54.3888 33.7336 175.2113 106 D 4.5222 8.6053 121.8005 54.0372 41.5848 176.2716 107 I 2.8505 8.0782 123.1354 59.7716 38.7116 174.0715 108 P 4.1926 0.0000 0.0000 62.2890 32.1917 176.9497 109 V 3.3834 8.5762 123.1227 66.4815 31.3164 178.1556 110 E 3.3514 8.0687 117.9909 59.0396 29.3503 178.7423 111 I 3.4754 7.3746 119.8204 64.0843 37.1659 178.0931 112 L 3.7639 7.4173 120.5476 57.9770 41.8811 178.8762 113 V 2.5877 7.4258 118.3816 65.7611 31.3330 177.9069 114 R 2.9791 7.6279 118.5649 58.9711 29.4948 178.5145 115 R 3.8378 7.4009 117.7878 59.2839 29.9404 177.8649 116 L 3.9635 7.6787 120.1212 58.0976 41.8990 179.1213 117 S 4.1570 8.0788 115.3004 61.8933 62.6268 176.1974 118 D 4.4045 7.8339 119.9283 57.6538 40.6740 179.1377 119 I 3.9480 7.5033 119.4329 64.2470 37.1772 178.1201 120 K 4.0003 8.1343 118.7613 60.0570 31.9886 178.6256 121 Q 4.1599 8.5097 119.6188 59.2316 28.8285 178.6997 122 G 3.7542 8.4690 106.9330 48.3549 0.0000 175.2329 123 Y 3.9153 8.1613 117.4514 60.7029 37.8343 178.8102 124 T 4.0500 7.8797 116.3934 66.2645 68.6799 175.9016 125 Q 4.1919 7.7329 119.4551 56.9637 29.7692 174.6044 126 H 4.6837 7.6861 112.8203 55.0325 31.6898 172.4580 127 G 4.0094 9.5957 112.1791 46.5254 0.0000 175.6986 128 G 3.8802 8.3825 105.8348 44.8655 0.0000 172.6865 129 L 4.6254 7.2940 118.2646 52.3008 43.4415 176.7448 130 R 4.0272 8.2339 118.2997 55.4070 29.9962 174.8228 131 P 4.4947 0.0000 0.0000 62.4225 32.2062 175.3116 132 F 4.6411 8.5053 118.0837 57.0485 40.3234 177.6399 133 G 4.0513 9.0819 115.4307 44.7599 0.0000 172.6491 134 V 4.9682 7.2605 118.3590 61.7885 35.4338 174.4312 135 S 4.8295 8.9218 121.5815 56.7440 67.0962 173.0581 136 F 5.1737 9.3406 121.2489 55.7044 43.1705 174.0213 137 I 4.8806 8.4954 122.0582 59.8579 40.0826 174.0106 138 Y 5.1560 9.5359 125.5283 56.2983 40.2369 174.5153 139 A 5.2353 9.4535 127.2999 50.3293 21.2802 175.6235 140 G 4.5869 9.2374 108.7853 45.4861 0.0000 170.8768 141 Y 5.3436 8.5507 121.8516 55.8074 41.7512 174.4266 142 D 4.4868 6.8240 122.1005 51.9389 42.6814 176.1094 143 D 4.3181 8.7640 120.0223 55.3562 39.5179 177.0322 144 R 4.0410 7.7661 119.0303 57.6714 30.8387 176.0619 144A Y 4.8739 8.0599 112.0152 56.4477 40.7829 177.2857 145 G 3.3605 7.9913 109.9102 46.6250 0.0000 173.5513 146 Y 4.9442 8.6500 121.2416 58.5032 38.7477 175.3357 147 Q 4.6732 9.4111 120.9390 54.4022 34.2791 173.4640 148 L 5.3664 8.1135 122.3409 53.7824 45.4048 174.7872 149 Y 5.6131 9.5753 122.9987 56.7815 42.9712 174.2011 150 T 5.5733 9.6891 115.0312 60.8853 71.4708 172.6635 151 S 5.6880 9.5895 122.5597 56.7472 66.7723 172.5274 152 N 5.4659 8.7214 118.3802 49.0453 40.5552 173.2856 153 P 4.3629 0.0000 0.0000 65.9181 31.3946 178.1547 154 S 4.1921 8.4249 111.4976 59.7278 63.0334 175.2823 155 G 4.0050 8.6068 109.8502 45.2647 0.0000 172.8458 156 N 4.8290 7.9687 118.8595 52.9872 39.8404 173.3301 157 Y 6.1145 8.3172 121.0109 55.4512 41.5524 173.8108 158 T 4.3669 8.7395 108.9212 60.9340 72.1820 172.0813 159 G 4.0417 8.1131 109.0910 44.3563 0.0000 172.4069 160 W 5.0594 8.7665 121.9675 54.7246 33.0941 175.3714 161 K 4.3194 8.7554 118.8345 58.5302 33.0820 176.9487 162 A 4.8140 7.4770 118.1416 51.1049 22.0430 175.2739 163 I 3.9638 8.5358 120.2836 60.5162 42.1468 172.8605 164 S 5.0074 7.7173 119.2973 57.2582 66.2083 173.4667 165 V 4.2485 8.7742 113.0321 60.4308 36.0858 174.5367 166 G 4.3731 8.9913 105.9805 45.4949 0.0000 173.5744 167 A 4.3528 8.6610 126.5452 52.7954 19.4309 177.3058 168 N 4.1480 8.8181 118.9960 54.6347 35.6716 175.9437 169 T 3.7262 7.4641 111.0398 64.7877 69.1036 175.0746 170 S 4.0233 8.0541 115.8401 61.1158 62.3444 175.7092 171 A 3.9155 8.1572 121.9968 55.5339 17.8932 179.0859 172 A 3.8709 8.2887 117.3709 55.1087 18.6136 179.4784 173 Q 3.7938 8.8001 119.1030 59.8469 28.8319 178.9864 174 T 3.8708 8.0841 116.6392 66.6079 68.5839 176.7689 175 L 4.0235 7.8554 120.9937 57.5188 41.4896 179.6088 176 L 3.9538 8.2411 119.3359 58.0140 41.4876 179.0602 177 Q 3.9596 8.0042 118.1877 59.5090 28.7931 178.5888 178 M 4.1669 7.4840 118.2309 58.6335 32.6029 177.4309 179 D 4.5854 7.7630 115.6297 54.5165 41.8028 176.4161 180 Y 4.3014 7.7826 121.6240 57.0328 39.7045 174.9115 181 K 4.3097 7.2614 124.1126 56.1328 35.5119 177.5878 182 D 4.2921 7.9131 123.9158 56.8881 41.1560 177.2482 183 D 4.7860 7.5765 116.6383 53.2651 39.8811 176.2759 184 M 4.1950 7.6169 119.8286 56.1436 32.7171 175.2113 185 K 4.7953 7.9752 120.5376 52.6898 36.6908 176.3147 186 V 3.5596 8.5826 124.4220 66.8669 31.0280 177.9579 187 D 4.4569 8.2862 117.5665 57.7045 40.5706 178.9176 188 D 4.3725 7.9307 118.3357 57.0846 41.1920 178.3934 189 A 4.1482 8.2839 121.6289 55.0974 18.2401 179.6419 190 I 3.8290 8.4736 118.6622 64.6399 37.1860 177.8660 191 E 3.8759 7.8036 119.5520 59.3757 29.4244 178.3226 192 L 3.9163 8.4075 120.2148 58.4028 42.0051 178.4670 193 A 3.9479 8.5643 120.5450 55.5096 18.2875 179.3017 194 L 4.0006 8.3576 116.8207 58.1157 41.7927 179.8549 195 K 3.8773 8.4292 118.3805 59.9259 31.8251 179.1426 196 T 3.8702 8.1141 115.1573 66.8396 68.6978 176.2173 197 L 4.0862 8.1446 120.7281 58.0048 41.4852 179.2841 198 S 4.0569 8.2176 111.9006 61.4121 62.2991 175.8075 199 K 4.3493 8.0137 118.6139 57.0349 32.0627 177.4023 200 T 4.2744 7.6753 109.0781 61.8044 69.0558 173.8681 *202 T 4.2647 7.4338 117.0206 64.4713 69.4320 173.1728 203 D 4.8959 8.5411 119.7642 54.1530 41.6112 175.8843 204 S 4.7706 7.3922 114.2772 56.2281 66.1159 173.3461 204A S 3.5103 7.8261 112.1575 62.1545 63.1523 174.5541 204B A 4.6613 7.4832 125.1338 50.2017 22.6504 175.9186 205 L 4.0840 8.5231 123.0630 55.3586 42.7911 176.6426 206 T 4.8449 8.1615 115.1867 59.4742 72.2759 173.9498 207 Y 4.2403 9.3170 122.1600 60.4356 37.6182 178.5785 208 D 4.4499 6.4324 117.3228 54.2992 39.4447 176.7988 209 R 4.5142 8.2452 118.3415 55.8189 31.3045 175.4765 210 L 5.2951 8.2710 119.2141 53.0121 45.1438 175.8490 211 E 4.7668 9.0533 119.7631 54.8092 33.6846 174.5726 212 F 4.8862 8.7487 125.1948 56.5870 43.3638 172.8784 213 A 5.6707 8.7129 125.3830 51.4082 23.0676 175.1793 214 T 5.2129 9.1666 109.6658 60.1990 73.3163 173.2630 215 I 5.0462 8.8412 122.4260 59.7888 39.6603 174.6834 216 R 4.9171 8.7303 125.3530 54.2215 33.6524 175.1700 216A K 4.5075 8.5441 122.8479 53.5990 31.0937 174.8333 216B G 3.8170 8.5863 112.8716 45.3580 0.0000 172.0837 217 A 4.1165 8.6856 126.6720 54.9065 19.1243 177.4761 218 N 4.7982 7.2772 113.0079 51.8363 39.0090 174.3372 218C D 4.6929 7.1571 122.4268 55.1750 45.5612 177.9619 218D G 4.2678 8.5530 109.7521 47.5838 0.0000 172.7516 219 E 4.2371 7.8621 119.3316 54.9589 30.6360 175.8089 219E V 3.9265 8.0439 124.2494 63.0165 32.8757 174.3143 220 Y 5.0356 9.0997 128.6062 56.0608 41.2068 174.0399 221 Q 4.8463 9.0385 125.8952 54.4092 30.5292 174.8338 222 K 4.1233 8.5722 126.0942 54.4964 34.6017 174.7700 223 I 4.7358 8.2231 129.0855 59.7886 38.0124 175.9682 224 F 4.3517 9.2871 127.0367 57.6861 39.7078 175.6253 225 K 4.5047 8.9351 121.7336 54.8348 33.6411 176.0883 226 P 4.3522 0.0000 0.0000 66.1035 31.2534 178.3777 227 Q 3.8958 8.2244 117.4085 59.5726 28.9658 178.2939 228 E 4.4699 8.1888 120.0735 58.8687 29.4331 179.4506 229 I 3.6063 7.7444 119.6054 64.2248 37.2010 178.1805 230 K 3.8552 8.2714 120.6038 59.6038 31.7141 178.5406 231 D 4.2314 8.4283 119.4288 57.5596 40.8729 178.7059 232 I 3.6327 8.1729 120.4114 64.2071 37.0774 178.6866 233 L 3.8724 7.9620 120.0219 57.6895 41.5408 179.3089 234 V 3.5595 7.4499 117.7153 65.9986 31.1947 177.9192 235 K 3.8986 7.5649 116.3385 59.8403 32.1362 179.2126 236 T 4.0461 7.3971 107.3109 62.9357 67.1929 175.0332 237 G 3.9069 8.0959 110.6667 45.9312 0.0000 175.2903 238 I 3.6413 7.5536 120.2257 61.7702 37.4709 176.4147 239 T 3.7399 7.1764 120.8083 64.0323 68.9276 171.6154 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 13 T 8.16 4.26 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 1.21 0.00 0.00 14 I 7.50 4.23 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.09 0.90 0.00 0.00 15 F 8.13 5.04 0.00 3.06 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 16 S 8.31 4.79 0.00 3.89 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 17 P 0.00 4.25 0.00 2.10 2.19 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 18 E 8.06 4.07 0.00 1.91 1.98 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 2.31 2.36 0.00 19 G 8.65 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 20 R 8.05 4.57 0.00 1.71 1.69 0.00 3.12 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 21 L 8.04 4.72 0.00 1.64 1.55 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.76 3.54 0.00 2.76 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 0.00 0.00 0.00 0.00 23 Q 8.10 3.90 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 24 V 7.48 3.58 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 1.13 0.00 0.00 0.94 0.00 0.00 25 E 8.30 4.02 0.00 2.22 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 0.00 2.52 2.54 0.00 26 Y 8.45 4.38 0.00 2.89 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 27 A 8.21 4.04 1.47 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 0.00 0.00 28 L 8.14 3.95 0.00 1.95 1.77 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.76 3.83 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 30 S 8.04 4.30 0.00 3.98 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 31 I 7.86 3.69 2.04 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 1.53 0.75 0.89 0.00 0.00 32 S 8.03 4.42 0.00 3.97 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.56 4.70 0.00 3.31 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.92 4.52 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.50 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.35 5.05 4.18 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 1.22 0.00 0.00 37 A 8.92 5.13 1.10 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 38 I 9.42 4.84 1.72 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 1.05 0.88 0.82 0.00 0.00 39 G 9.34 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 0.00 0.00 0.00 0.00 40 I 8.78 4.70 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 1.05 0.63 0.97 0.00 0.00 41 M 9.15 4.64 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 42 A 8.31 4.56 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 43 S 7.98 4.54 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.57 4.88 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 6.13 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 46 I 7.44 5.21 1.95 0.00 0.00 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 1.22 0.67 0.97 0.00 0.00 47 V 8.92 4.90 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 1.02 0.00 0.00 1.00 0.00 0.00 48 L 8.67 5.18 0.00 1.55 1.34 0.94 1.14 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 49 A 9.17 4.56 0.47 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 0.00 0.00 50 A 8.93 4.90 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 51 E 9.24 4.74 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 52 R 8.99 4.28 0.00 1.65 1.81 0.00 3.30 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 53 K 8.62 4.04 0.00 1.69 1.68 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.40 7.81 54 V 8.40 3.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 55 T 7.66 4.58 4.19 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 1.17 0.00 0.00 56 S 7.77 4.48 0.00 3.80 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 57 T 8.51 3.99 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 1.21 0.00 0.00 58 L 7.56 4.25 0.00 1.64 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.20 3.90 0.00 1.70 1.55 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.59 4.22 0.00 1.95 1.88 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 2.29 2.36 0.00 61 Q 8.47 4.15 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 62 D 8.07 4.45 0.00 2.76 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 63 T 7.54 4.45 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 63A S 7.67 4.82 0.00 4.00 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 64 T 7.98 4.40 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 1.06 0.00 0.00 65 E 8.38 4.80 0.00 2.05 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 2.12 2.28 0.00 66 K 8.62 4.56 0.00 1.71 1.73 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.35 7.81 67 L 7.83 5.02 0.00 1.49 1.49 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.93 4.93 0.00 2.88 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 69 K 8.88 4.31 0.00 1.79 1.79 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.75 7.81 70 L 8.57 4.41 0.00 1.88 1.69 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.57 4.89 0.00 2.72 2.61 0.00 0.00 7.20 8.49 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 72 D 8.79 4.56 0.00 2.76 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 73 K 8.08 4.67 0.00 2.05 2.06 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 74 I 8.03 5.36 1.90 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 1.21 1.01 0.99 0.00 0.00 75 A 9.53 5.31 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 76 V 9.09 4.98 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 0.77 0.00 0.00 0.90 0.00 0.00 77 A 9.23 5.17 1.15 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 78 V 8.81 4.70 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 0.70 0.00 0.00 1.34 0.00 0.00 79 A 9.32 4.31 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 80 G 8.45 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 81 L 8.71 4.16 0.00 1.67 1.64 0.93 1.08 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 82 T 8.92 3.91 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 1.33 0.00 0.00 83 A 7.98 3.99 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 84 D 8.26 4.51 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.20 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.42 3.64 0.00 1.97 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 1.99 2.52 0.00 87 I 7.57 3.68 2.09 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 1.80 1.52 0.99 0.00 0.00 88 L 7.55 3.84 0.00 1.83 1.65 0.44 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.90 3.49 1.83 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.76 0.00 0.00 90 N 8.34 4.17 0.00 2.93 2.82 0.00 0.00 7.08 6.79 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 91 T 7.83 3.85 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 1.23 0.00 0.00 92 A 7.72 3.87 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 93 R 8.41 4.02 0.00 1.96 2.02 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 94 I 7.87 3.66 2.04 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 1.42 0.77 0.93 0.00 0.00 95 H 8.48 4.16 0.00 3.18 3.41 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.10 3.91 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 97 Q 8.19 4.01 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 98 N 8.58 4.31 0.00 2.92 2.92 0.00 0.00 6.65 7.02 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 99 Y 8.08 4.11 0.00 3.03 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 0.00 100 L 7.92 4.32 0.00 1.93 1.86 1.06 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.13 4.05 0.00 1.76 1.97 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 102 T 7.99 3.73 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 0.17 0.00 0.00 103 Y 8.26 4.51 0.00 2.46 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 0.00 104 N 9.13 4.73 0.00 2.81 2.95 0.00 0.00 6.72 7.54 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 0.00 105 E 7.61 4.83 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 106 D 8.61 4.52 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.08 2.85 1.54 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.74 0.00 0.00 108 P 0.00 4.19 0.00 2.01 1.83 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 109 V 8.58 3.38 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 0.97 0.00 0.00 0.93 0.00 0.00 110 E 8.07 3.35 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 111 I 7.37 3.48 1.71 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 1.29 0.37 0.71 0.00 0.00 112 L 7.42 3.76 0.00 1.49 1.54 0.82 0.55 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 0.00 113 V 7.43 2.59 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 0.17 0.00 0.00 -0.52 0.00 0.00 114 R 7.63 2.98 0.00 1.45 1.66 0.00 3.07 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 115 R 7.40 3.84 0.00 1.73 1.91 0.00 3.23 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.46 0.00 116 L 7.68 3.96 0.00 1.67 1.58 0.68 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.08 4.16 0.00 3.92 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 0.00 118 D 7.83 4.40 0.00 2.78 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 0.00 119 I 7.50 3.95 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.99 0.00 0.00 120 K 8.13 4.00 0.00 2.09 2.00 0.00 1.80 0.00 0.00 2.00 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.48 7.81 121 Q 8.51 4.16 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 122 G 8.47 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 0.00 0.00 0.00 123 Y 8.16 3.92 0.00 3.23 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 0.00 124 T 7.88 4.05 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 125 Q 7.73 4.19 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 126 H 7.69 4.68 0.00 3.14 3.17 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.60 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.38 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 0.00 129 L 7.29 4.63 0.00 1.56 1.62 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.23 4.03 0.00 1.90 1.92 0.00 3.02 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 131 P 0.00 4.49 0.00 2.10 2.14 0.00 3.67 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 2.05 2.15 0.00 132 F 8.51 4.64 0.00 2.91 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 0.00 133 G 9.08 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 0.00 0.00 0.00 134 V 7.26 4.97 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 -0.11 0.00 0.00 0.89 0.00 0.00 135 S 8.92 4.83 0.00 3.62 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 0.00 136 F 9.34 5.17 0.00 2.57 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 0.00 0.00 0.00 137 I 8.50 4.88 1.83 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 1.18 0.75 0.92 0.00 0.00 138 Y 9.54 5.16 0.00 3.14 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 0.00 139 A 9.45 5.24 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 0.00 140 G 9.24 4.59 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 0.00 0.00 0.00 141 Y 8.55 5.34 0.00 2.85 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 0.00 142 D 6.82 4.49 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.76 4.32 0.00 2.77 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 0.00 144 R 7.77 4.04 0.00 1.53 1.78 0.00 2.90 0.00 0.00 2.77 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 144A Y 8.06 4.87 0.00 2.91 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 0.00 145 G 7.99 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 0.00 0.00 0.00 146 Y 8.65 4.94 0.00 3.03 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 0.00 147 Q 9.41 4.67 0.00 2.15 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 148 L 8.11 5.37 0.00 1.72 1.68 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 9.58 5.61 0.00 3.23 3.13 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 0.00 150 T 9.69 5.57 4.61 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 1.62 0.00 0.00 151 S 9.59 5.69 0.00 4.15 4.32 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 0.00 152 N 8.72 5.47 0.00 2.87 2.99 0.00 0.00 6.83 8.09 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 0.00 153 P 0.00 4.36 0.00 2.10 2.26 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.38 0.00 154 S 8.42 4.19 0.00 4.03 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 0.00 155 G 8.61 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 7.97 4.83 0.00 2.80 2.78 0.00 0.00 6.67 8.22 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 0.00 157 Y 8.32 6.11 0.00 3.26 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.74 4.37 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 1.05 0.00 0.00 159 G 8.11 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 0.00 160 W 8.77 5.06 0.00 3.02 3.22 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 0.00 161 K 8.76 4.32 0.00 1.41 1.53 0.00 1.87 0.00 0.00 2.06 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.43 7.81 162 A 7.48 4.81 0.78 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 0.00 163 I 8.54 3.96 1.23 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 0.19 -0.19 0.74 0.00 0.00 164 S 7.72 5.01 0.00 3.96 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 0.00 165 V 8.77 4.25 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 0.60 0.00 0.00 0.84 0.00 0.00 166 G 8.99 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.35 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 0.00 168 N 8.82 4.15 0.00 2.89 2.85 0.00 0.00 6.89 7.05 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 0.00 169 T 7.46 3.73 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 170 S 8.05 4.02 0.00 3.88 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 0.00 171 A 8.16 3.92 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 0.00 172 A 8.29 3.87 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 0.00 173 Q 8.80 3.79 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 174 T 8.08 3.87 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 1.21 0.00 0.00 175 L 7.86 4.02 0.00 1.79 1.71 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.24 3.95 0.00 1.78 1.67 0.80 1.08 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 0.00 177 Q 8.00 3.96 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 178 M 7.48 4.17 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 179 D 7.76 4.59 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 7.78 4.30 0.00 2.89 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 0.00 181 K 7.26 4.31 0.00 1.75 1.71 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.25 7.81 182 D 7.91 4.29 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 D 7.58 4.79 0.00 2.72 2.70 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 0.00 184 M 7.62 4.19 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 185 K 7.98 4.80 0.00 1.72 1.76 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.25 7.81 186 V 8.58 3.56 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 1.08 0.00 0.00 0.90 0.00 0.00 187 D 8.29 4.46 0.00 2.81 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 0.00 188 D 7.93 4.37 0.00 2.86 2.70 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 0.00 189 A 8.28 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 I 8.47 3.83 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.61 0.00 0.00 191 E 7.80 3.88 0.00 2.02 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 0.00 2.32 2.33 0.00 192 L 8.41 3.92 0.00 1.90 1.87 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.56 3.95 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 0.00 194 L 8.36 4.00 0.00 1.89 1.77 0.75 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 195 K 8.43 3.88 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.65 7.81 196 T 8.11 3.87 4.32 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 1.18 0.00 0.00 197 L 8.14 4.09 0.00 1.84 1.71 0.89 0.98 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 0.00 198 S 8.22 4.06 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 0.00 199 K 8.01 4.35 0.00 1.76 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 200 T 7.68 4.27 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 *202 T 7.43 4.26 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 1.31 0.00 0.00 203 D 8.54 4.90 0.00 2.61 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 0.00 204 S 7.39 4.77 0.00 3.79 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204A S 7.83 3.51 0.00 3.85 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 204B A 7.48 4.66 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 0.00 205 L 8.52 4.08 0.00 1.61 1.62 0.92 0.92 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 0.00 206 T 8.16 4.84 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 207 Y 9.32 4.24 0.00 3.18 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 0.00 208 D 6.43 4.45 0.00 2.46 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 R 8.25 4.51 0.00 1.81 1.91 0.00 3.03 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 210 L 8.27 5.30 0.00 1.64 1.65 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 211 E 9.05 4.77 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 212 F 8.75 4.89 0.00 3.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 A 8.71 5.67 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 0.00 214 T 9.17 5.21 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 215 I 8.84 5.05 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 1.17 0.00 0.00 216 R 8.73 4.92 0.00 1.81 1.87 0.00 3.11 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 216A K 8.54 4.51 0.00 1.64 1.76 0.00 1.21 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.15 7.81 216B G 8.59 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 0.00 0.00 0.00 217 A 8.69 4.12 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 0.00 218 N 7.28 4.80 0.00 2.68 2.79 0.00 0.00 7.11 8.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218C D 7.16 4.69 0.00 2.70 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218D G 8.55 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 0.00 0.00 0.00 0.00 219 E 7.86 4.24 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 219E V 8.04 3.93 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 0.86 0.00 0.00 0.31 0.00 0.00 220 Y 9.10 5.04 0.00 2.94 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 0.00 221 Q 9.04 4.85 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 222 K 8.57 4.12 0.00 0.94 1.26 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.89 1.01 7.81 223 I 8.22 4.74 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.97 0.00 0.00 224 F 9.29 4.35 0.00 3.17 3.08 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 0.00 225 K 8.94 4.50 0.00 1.89 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.39 7.81 226 P 0.00 4.35 0.00 2.26 2.44 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 227 Q 8.22 3.90 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 228 E 8.19 4.47 0.00 2.41 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 2.41 2.29 0.00 229 I 7.74 3.61 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.94 0.00 0.00 230 K 8.27 3.86 0.00 1.49 1.81 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.07 7.81 231 D 8.43 4.23 0.00 2.87 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 0.00 232 I 8.17 3.63 1.84 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 1.24 0.99 0.37 0.00 0.00 233 L 7.96 3.87 0.00 1.93 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 234 V 7.45 3.56 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 1.01 0.00 0.00 0.93 0.00 0.00 235 K 7.56 3.90 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.58 7.81 236 T 7.40 4.05 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 1.16 0.00 0.00 237 G 8.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 7.55 3.64 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 1.30 0.57 0.92 0.00 0.00 239 T 7.18 3.74 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.