NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6347 8.2893 118.3352 54.6565 33.7698 174.6789 2 S 4.8129 7.9647 112.5480 55.6131 66.6933 171.4471 3 A 5.2532 8.5000 120.4931 50.3770 22.7696 176.6760 4 K 4.5691 8.7872 120.5380 54.3402 36.1571 175.2376 5 L 4.2199 8.5969 129.1698 55.5203 42.1370 176.0224 6 I 4.2058 8.1803 126.7521 62.8318 39.0291 176.0559 7 S 4.7549 7.6270 112.5658 57.7112 65.3794 175.0028 8 V 5.0512 8.3929 123.5650 60.2032 34.3931 174.1432 9 T 3.9555 8.7428 119.3618 64.6487 68.9742 173.2772 10 K 4.5580 8.5313 127.1261 53.7260 34.4430 174.1082 11 P 4.4135 0.0000 0.0000 63.0051 31.8371 176.6727 12 V 4.2330 8.2001 113.0715 61.2329 32.3335 176.3689 13 V 4.1533 7.1680 113.9443 59.6203 33.0021 175.1329 14 E 4.0357 8.3492 122.1647 57.8333 29.6093 177.7879 15 G 3.8118 9.2128 112.6264 44.8370 0.0000 173.0741 16 V 4.3259 7.0600 118.1996 61.4431 32.3217 174.4907 17 N 4.8470 8.7589 124.1672 53.2017 40.2280 175.7004 18 T 4.6679 7.3560 108.0100 58.6619 73.3533 174.1386 19 A 4.0678 8.4972 123.7589 55.8554 18.3373 179.8705 20 E 4.1978 7.9964 116.9283 59.3770 29.7182 178.6089 21 E 4.1062 8.2738 118.9351 59.1544 29.4608 179.0879 22 L 4.0464 7.9290 120.1029 58.0704 42.2406 178.9366 23 I 3.6302 7.9232 119.5954 64.4876 37.0795 178.3115 24 A 3.9943 8.5302 121.9175 55.1607 18.1665 178.9805 25 Y 4.0047 8.4907 118.2994 60.8999 38.6520 178.3195 26 A 3.8089 8.0171 120.3285 55.0066 18.5347 179.2271 27 A 3.9526 7.6341 118.2519 54.7695 18.5970 180.0336 28 R 4.2035 7.9368 118.5916 58.5565 30.1712 180.8925 29 V 4.0478 7.0541 117.0365 61.4843 30.7099 177.1324 30 S 4.5038 8.6927 112.8410 59.5575 66.2954 174.2749 31 N 4.8770 7.7110 119.4255 50.2177 37.1936 173.1588 32 P 4.4266 0.0000 0.0000 64.8518 31.8374 177.6162 33 E 4.5098 7.9854 114.5590 56.2525 32.2987 176.0750 34 N 4.5295 7.9041 118.9299 51.9805 37.7839 175.0955 35 Q 4.5338 7.3778 121.4981 54.3217 29.8239 176.0552 *39 K 4.1442 8.0816 118.3146 56.9814 33.7815 179.0858 40 T 4.1481 8.5986 114.5321 61.5499 71.6486 174.9332 41 A 3.9682 8.4443 123.0520 55.5701 18.4922 180.2220 42 S 4.2994 8.1593 112.1473 61.3695 63.0850 176.6824 43 G 3.6133 7.9745 109.3828 47.2952 0.0000 175.5863 44 L 3.9743 8.1793 122.2828 58.0597 42.2652 178.6725 45 L 4.2788 7.5281 117.2208 57.8006 41.9276 178.9591 46 K 4.0643 8.1631 119.4982 59.7003 32.0806 178.5643 47 Y 4.0821 7.7381 115.8258 58.5297 38.3015 177.3694 *49 I 3.3815 7.7138 121.1233 60.6330 39.1137 178.0461 50 R 3.7508 7.7776 119.2229 58.8387 29.9443 176.6004 51 H 4.5673 7.3983 112.2175 54.8040 28.7225 174.9398 52 K 2.8097 7.0232 117.2436 57.7913 29.5268 177.3387 53 H 4.5185 7.3312 118.6169 55.3645 26.4790 174.9582 54 W 4.9835 7.9308 124.6228 59.2615 29.5862 177.9908 55 S 4.7394 8.2383 116.5118 60.4890 62.2992 176.4184 56 I 3.6789 7.7697 115.7078 63.3357 37.5134 177.0445 57 F 4.6902 8.3011 117.8800 57.7477 39.0025 176.3142 58 E 4.6193 8.0538 118.6165 56.3662 29.6711 177.5096 59 T 4.1521 7.9427 109.5454 62.6036 69.9045 174.3589 60 A 5.0803 7.8249 123.7314 50.4166 22.3085 175.2016 61 F 5.4207 8.9392 120.8952 57.2667 43.5697 172.9515 62 M 5.3626 8.9696 124.3337 54.3036 36.2136 173.5055 63 T 5.3178 9.3435 121.4885 61.8109 71.8708 173.1016 64 L 5.0810 9.0633 125.2456 52.8481 45.9254 175.0110 65 E 5.0482 9.3817 124.3138 55.1799 31.2160 174.5223 66 L 5.2676 9.4531 127.5993 53.0867 44.5034 175.5559 67 K 4.9454 8.8640 123.0415 55.4079 34.3765 175.1204 68 T 4.8726 8.5926 120.7945 61.6469 70.9147 172.7281 69 S 5.0765 8.5680 114.0744 57.1014 65.2005 174.9491 70 R 3.9746 8.6229 120.8855 59.4711 29.7972 179.6257 71 G 3.6282 8.4639 105.7767 48.0066 0.0000 175.8534 72 I 3.8163 7.6093 122.1084 63.6726 37.1688 178.1826 73 A 3.8599 8.0969 121.5243 55.2899 17.9809 179.3612 74 A 3.9472 7.8759 117.8939 55.5650 18.6721 179.6586 75 Q 4.0809 7.5950 115.5054 59.0804 28.8389 178.9977 76 V 3.7431 7.9075 119.4792 65.9676 31.3565 177.8674 77 L 2.9820 7.8826 118.0468 57.4816 41.4307 179.3640 78 R 4.2568 7.5681 116.5025 57.7653 31.2423 177.2381 79 H 4.6430 8.2997 117.6997 55.1564 26.8142 175.8175 80 R 4.3954 8.1706 117.9709 57.0933 30.1237 178.6601 81 S 4.1113 7.9485 112.9462 60.2920 63.4837 174.1925 82 F 4.2714 7.6828 119.7425 56.8300 40.1280 174.7689 83 H 4.9008 8.8330 118.1941 54.1498 31.3283 173.6705 84 F 6.0732 8.7214 119.3414 54.9892 43.0820 174.2621 85 Q 4.3899 8.5789 120.1797 54.7807 32.1229 173.2777 86 E 4.6064 8.3920 124.8145 54.4225 32.7007 175.2063 87 F 4.8853 8.3071 119.1158 55.6796 42.9993 174.6164 88 S 4.8225 8.4222 116.9438 57.3855 65.6386 171.3403 89 Q 4.4071 8.6736 127.2314 56.7958 36.1060 175.0637 *124 T 4.3029 8.5718 103.8204 60.9819 71.1123 175.6871 125 W 4.1809 8.8547 132.0601 60.2538 30.7973 178.1109 126 W 3.4772 8.5199 127.9565 60.1570 29.8823 177.5934 127 A 3.6992 7.5910 120.0935 54.8686 17.1776 179.8792 128 T 3.6429 7.3667 114.4002 66.7093 68.3457 176.5863 129 E 3.9735 7.2361 118.6556 58.0000 29.6799 178.8224 130 Q 3.4962 7.0113 118.3708 58.6029 28.6884 178.2785 131 E 3.9391 7.4257 119.3604 58.8111 29.3556 179.3403 132 K 3.8744 7.5745 118.8554 59.4352 32.3790 178.7954 133 L 3.9265 7.4071 118.9846 57.9566 41.4916 178.8186 134 Y 3.9463 7.7634 118.5482 60.8527 38.7665 178.1156 135 A 3.9326 7.9894 121.3173 55.2641 18.3063 179.3812 136 Q 3.9542 8.3259 118.2384 59.1417 29.0963 178.4964 137 S 4.1265 8.5055 116.8588 61.6837 62.8879 176.4601 138 M 4.0474 8.1661 121.7892 57.8083 31.5777 178.4980 139 E 3.8848 8.0459 119.7598 59.2434 29.8675 178.6254 140 L 3.9374 7.6211 120.4467 58.1180 42.2136 177.9770 141 Y 4.1102 8.0320 119.5246 60.9524 38.6212 178.0019 142 N 4.1365 8.2992 116.9978 56.2463 38.6037 177.3296 143 K 3.8187 8.0898 119.4764 59.5056 32.1948 179.0804 144 A 3.9294 8.2410 121.0855 55.2798 18.0632 179.6651 145 L 3.9777 7.5069 117.2303 57.8908 41.3913 179.4258 146 E 3.9440 8.1169 118.4737 58.6064 29.6135 177.7430 147 K 4.4736 8.0340 117.2813 56.5330 33.4317 177.4695 148 G 4.0096 7.9514 112.9076 46.0620 0.0000 176.0001 149 I 3.7059 7.2305 116.9582 59.5990 36.0994 180.9924 150 A 4.2401 8.4350 126.1694 51.2215 20.2962 178.8470 151 K 3.8943 8.6197 121.4753 59.8139 31.9830 179.6077 152 E 4.1148 8.0803 117.0378 58.9063 29.4150 178.5162 153 C 4.5511 8.1211 116.5340 62.6389 28.5007 175.6579 154 A 4.1352 8.1426 122.4386 55.1740 17.9132 179.5806 155 R 3.8968 8.2481 116.7172 59.7224 29.8931 178.7332 156 F 4.3640 7.8249 115.1929 59.2419 39.0267 175.8995 157 I 4.1503 7.6364 117.5605 61.5029 38.3754 175.8040 158 L 4.0055 7.4022 120.7450 54.2123 42.0453 175.3196 159 P 4.5904 0.0000 0.0000 62.0849 32.3719 177.2813 160 L 4.1359 8.4292 118.8608 57.1735 41.6309 179.1884 161 S 4.3300 7.9329 111.7507 59.5800 63.9070 174.3490 162 T 4.1589 7.8177 117.9492 61.6721 68.0368 171.7594 163 P 4.9745 0.0000 0.0000 63.3263 32.3554 175.4802 164 T 4.7437 9.0965 116.6194 61.0069 71.3505 172.1115 165 T 5.4206 8.6073 120.8940 60.3585 70.1593 172.9751 166 I 5.1621 8.9504 120.5753 59.7315 41.7312 173.5030 167 Y 5.4170 9.0940 121.8821 57.5992 40.0162 174.3235 168 M 4.9928 9.2957 122.5248 53.9948 35.6119 174.0581 169 S 5.1709 8.8830 122.5775 56.8755 66.7298 173.5463 170 G 3.6788 8.0562 109.8356 45.0464 0.0000 172.8870 171 T 4.8393 8.1153 110.3926 61.1322 69.9155 175.6414 172 I 3.9416 8.6046 123.4812 64.4821 36.6469 178.4883 173 R 3.8001 8.0945 119.7070 59.9995 29.8086 178.1588 174 D 4.1427 7.5632 117.7732 56.8492 40.5775 178.7559 175 W 4.6388 8.0395 119.1133 59.9240 29.0217 178.2277 176 I 3.6603 7.8830 119.6667 65.1667 36.7386 178.2045 177 H 4.3533 7.7223 115.8521 58.2363 28.4326 177.4683 178 Y 4.0118 8.1351 121.9652 60.6783 38.7302 177.4721 179 I 3.3518 8.3072 121.0550 64.3354 37.0144 177.5679 180 E 3.8996 8.2330 118.8615 59.5704 29.5341 178.6024 181 L 4.0304 7.7093 119.3048 58.2304 42.4919 178.6491 182 R 4.0313 7.8461 116.5170 57.1736 29.9655 177.8855 183 T 4.1168 7.4596 109.3421 61.5313 69.4258 174.8610 184 S 4.5419 7.0836 117.4622 56.6191 64.5619 173.3849 185 N 4.1953 8.5607 119.7894 55.0794 38.9301 173.8152 186 G 4.0605 8.9337 113.4980 46.4991 0.0000 174.8743 187 T 4.2216 7.1955 108.4420 60.4595 69.9880 175.0446 188 Q 4.2662 8.2727 121.3464 55.6540 31.0481 177.0378 189 R 3.8958 8.5504 120.7221 59.9883 30.0459 178.9510 190 E 3.9617 8.2464 117.3614 59.8188 29.3430 178.9728 191 H 4.2220 8.1334 117.6517 59.1962 30.0961 176.9805 192 I 4.1968 7.8149 123.0791 64.0169 37.0414 178.0613 193 D 4.3464 8.2450 119.5015 57.2207 40.6409 178.6944 194 L 3.9673 7.8186 120.5553 58.1927 42.2691 178.9325 195 A 4.1985 8.3430 120.8288 55.1378 18.2921 179.3493 196 N 4.2442 8.3601 115.0286 56.0706 38.0329 177.5422 197 A 4.0161 7.8859 122.2953 55.3292 18.4250 179.4854 198 C 4.0968 8.2283 115.3502 62.7116 28.1056 176.2590 199 K 3.8917 7.9802 121.1695 59.2713 31.5875 178.3508 200 E 4.0209 8.0915 119.4698 59.5476 29.6285 179.0304 201 I 3.7259 7.4866 118.8320 64.2093 37.1285 177.9628 202 F 4.0824 8.5940 121.9869 61.6835 39.1617 177.3232 203 I 4.0488 8.3951 119.3837 64.4225 36.6438 178.6066 204 K 4.1210 7.8349 118.6081 59.2121 31.9102 178.5986 205 E 3.9857 7.7068 117.0988 56.9537 31.1859 176.7807 206 F 4.8089 8.1278 116.9391 55.2031 39.4848 174.5244 207 P 4.5320 0.0000 0.0000 65.3714 31.6466 178.2352 208 S 4.2412 8.4243 112.6811 60.9234 62.3082 176.2111 209 I 3.8020 8.5778 122.7683 64.1710 36.8529 177.8253 210 A 3.9870 8.2365 121.7431 55.4091 18.1364 179.5024 211 K 3.8592 8.1609 117.5701 59.7777 32.0249 178.7999 212 A 4.1026 7.7643 119.2434 54.0638 18.3429 178.4538 213 L 4.2936 7.2545 114.8144 53.5091 42.3211 176.1955 214 D 4.5305 7.6113 117.2095 55.0190 38.8582 173.5193 215 W 4.7975 8.4554 119.6833 56.2628 29.7875 176.5259 216 V 4.6435 8.0777 115.2709 59.4707 35.1200 175.3283 217 H 4.4582 8.7453 117.2792 56.3754 28.5546 175.6885 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.63 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 2 S 7.96 4.81 0.00 3.88 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 3 A 8.50 5.25 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 4 K 8.79 4.57 0.00 1.80 1.58 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.35 7.81 5 L 8.60 4.22 0.00 1.61 1.50 0.91 1.00 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 6 I 8.18 4.21 1.67 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.06 0.65 0.00 0.00 7 S 7.63 4.75 0.00 3.86 3.65 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 0.00 0.00 0.00 8 V 8.39 5.05 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 0.71 0.00 0.00 1.08 0.00 0.00 9 T 8.74 3.96 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 1.36 0.00 0.00 10 K 8.53 4.56 0.00 1.71 1.66 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.53 7.81 11 P 0.00 4.41 0.00 2.28 1.94 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 12 V 8.20 4.23 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 0.73 0.00 0.00 0.92 0.00 0.00 13 V 7.17 4.15 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 0.78 0.00 0.00 0.79 0.00 0.00 14 E 8.35 4.04 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 15 G 9.21 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.06 4.33 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 0.81 0.00 0.00 0.58 0.00 0.00 17 N 8.76 4.85 0.00 2.69 2.78 0.00 0.00 6.79 8.43 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 18 T 7.36 4.67 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 1.18 0.00 0.00 19 A 8.50 4.07 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.00 4.20 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 21 E 8.27 4.11 0.00 2.24 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 2.33 2.30 0.00 22 L 7.93 4.05 0.00 1.82 1.93 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.92 3.63 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.08 0.67 0.00 0.00 24 A 8.53 3.99 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 25 Y 8.49 4.00 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.02 3.81 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 27 A 7.63 3.95 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 28 R 7.94 4.20 0.00 2.02 1.87 0.00 3.15 0.00 0.00 3.47 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.46 0.00 29 V 7.05 4.05 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 0.29 0.00 0.00 0.82 0.00 0.00 30 S 8.69 4.50 0.00 3.92 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 31 N 7.71 4.88 0.00 2.80 2.94 0.00 0.00 6.20 7.76 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 32 P 0.00 4.43 0.00 2.05 2.14 0.00 3.62 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 2.02 2.09 0.00 33 E 7.99 4.51 0.00 1.88 1.90 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 2.18 2.23 0.00 34 N 7.90 4.53 0.00 2.42 2.54 0.00 0.00 6.82 7.08 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 35 Q 7.38 4.53 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.48 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 *39 K 8.08 4.14 0.00 1.75 1.65 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.32 7.81 40 T 8.60 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 A 8.44 3.97 1.36 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 42 S 8.16 4.30 0.00 4.16 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 43 G 7.97 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 44 L 8.18 3.97 0.00 1.81 1.87 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.53 4.28 0.00 1.88 2.00 1.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.16 4.06 0.00 1.97 2.04 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 47 Y 7.74 4.08 0.00 3.18 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 *49 I 7.71 3.38 1.88 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 0.92 0.77 0.84 0.00 0.00 50 R 7.78 3.75 0.00 1.75 1.86 0.00 2.84 0.00 0.00 2.73 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 51 H 7.40 4.57 0.00 2.88 3.06 0.00 5.84 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.02 2.81 0.00 1.75 1.85 0.00 1.98 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.54 7.81 53 H 7.33 4.52 0.00 3.08 3.06 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 7.93 4.98 0.00 3.57 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 55 S 8.24 4.74 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 56 I 7.77 3.68 1.50 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 -0.36 0.62 0.00 0.00 57 F 8.30 4.69 0.00 3.57 3.31 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 58 E 8.05 4.62 0.00 2.26 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 2.37 2.65 0.00 59 T 7.94 4.15 4.30 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 1.30 0.00 0.00 60 A 7.82 5.08 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 61 F 8.94 5.42 0.00 3.11 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 62 M 8.97 5.36 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 63 T 9.34 5.32 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 1.08 0.00 0.00 64 L 9.06 5.08 0.00 1.71 1.57 0.68 0.28 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 65 E 9.38 5.05 0.00 2.01 1.86 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 2.41 2.66 0.00 66 L 9.45 5.27 0.00 1.68 1.62 0.99 0.86 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 67 K 8.86 4.95 0.00 1.67 1.73 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.51 7.81 68 T 8.59 4.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 69 S 8.57 5.08 0.00 4.22 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 70 R 8.62 3.97 0.00 1.97 1.99 0.00 3.26 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 71 G 8.46 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.61 3.82 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.76 0.00 0.00 73 A 8.10 3.86 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 74 A 7.88 3.95 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 75 Q 7.60 4.08 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 76 V 7.91 3.74 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 77 L 7.88 2.98 0.00 1.55 1.49 -0.02 0.81 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 78 R 7.57 4.26 0.00 1.95 1.95 0.00 3.30 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 79 H 8.30 4.64 0.00 3.42 3.56 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.17 4.40 0.00 1.96 2.11 0.00 3.04 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 81 S 7.95 4.11 0.00 3.84 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 82 F 7.68 4.27 0.00 2.55 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.83 4.90 0.00 3.12 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.72 6.07 0.00 2.85 2.89 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 85 Q 8.58 4.39 0.00 2.14 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.13 1.50 0.00 86 E 8.39 4.61 0.00 1.66 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 2.09 2.17 0.00 87 F 8.31 4.89 0.00 2.92 2.86 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 88 S 8.42 4.82 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 89 Q 8.67 4.41 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 *124 T 8.57 4.30 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 125 W 8.85 4.18 0.00 3.47 3.30 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 0.00 126 W 8.52 3.48 0.00 3.39 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 0.00 127 A 7.59 3.70 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 0.00 128 T 7.37 3.64 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 1.17 0.00 0.00 129 E 7.24 3.97 0.00 1.22 1.67 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 2.18 1.73 0.00 130 Q 7.01 3.50 0.00 1.48 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 131 E 7.43 3.94 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 132 K 7.57 3.87 0.00 1.78 1.73 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 133 L 7.41 3.93 0.00 1.78 1.68 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.76 3.95 0.00 2.97 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 0.00 135 A 7.99 3.93 1.43 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 0.00 136 Q 8.33 3.95 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 137 S 8.51 4.13 0.00 3.81 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 0.00 138 M 8.17 4.05 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.83 0.00 139 E 8.05 3.88 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 140 L 7.62 3.94 0.00 1.77 1.66 0.93 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 0.00 141 Y 8.03 4.11 0.00 3.06 3.09 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 0.00 142 N 8.30 4.14 0.00 3.00 2.82 0.00 0.00 7.10 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 0.00 143 K 8.09 3.82 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.66 7.81 144 A 8.24 3.93 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 0.00 145 L 7.51 3.98 0.00 1.64 1.56 0.46 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.12 3.94 0.00 2.05 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 0.00 2.29 2.32 0.00 147 K 8.03 4.47 0.00 1.72 1.78 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.56 7.81 148 G 7.95 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 0.00 149 I 7.23 3.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.91 0.00 0.00 150 A 8.43 4.24 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 0.00 151 K 8.62 3.89 0.00 1.79 1.91 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.50 7.81 152 E 8.08 4.11 0.00 1.98 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 0.00 2.33 2.46 0.00 153 C 8.12 4.55 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.14 4.14 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 0.00 155 R 8.25 3.90 0.00 1.95 1.72 0.00 3.05 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 156 F 7.82 4.36 0.00 3.27 3.09 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 0.00 157 I 7.64 4.15 1.96 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 1.33 0.83 1.04 0.00 0.00 158 L 7.40 4.01 0.00 1.74 1.47 0.24 0.99 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 0.00 159 P 0.00 4.59 0.00 2.29 2.22 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 160 L 8.43 4.14 0.00 1.72 1.77 0.92 0.78 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 0.00 161 S 7.93 4.33 0.00 3.87 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 0.00 162 T 7.82 4.16 4.33 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 1.23 0.00 0.00 163 P 0.00 4.97 0.00 1.99 1.97 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 164 T 9.10 4.74 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 0.00 165 T 8.61 5.42 4.30 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 1.24 0.00 0.00 166 I 8.95 5.16 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 1.33 0.92 0.92 0.00 0.00 167 Y 9.09 5.42 0.00 3.04 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 0.00 168 M 9.30 4.99 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.48 0.00 169 S 8.88 5.17 0.00 3.85 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 0.00 170 G 8.06 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 0.00 171 T 8.12 4.84 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 1.37 0.00 0.00 172 I 8.60 3.94 2.00 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 0.42 -0.36 0.92 0.00 0.00 173 R 8.09 3.80 0.00 2.07 1.95 0.00 3.23 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.69 0.00 174 D 7.56 4.14 0.00 1.98 1.54 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 0.00 175 W 8.04 4.64 0.00 3.86 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 0.00 176 I 7.88 3.66 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.87 0.60 0.00 0.00 177 H 7.72 4.35 0.00 3.17 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 8.14 4.01 0.00 3.20 3.27 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 0.00 179 I 8.31 3.35 1.86 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 1.42 0.79 0.07 0.00 0.00 180 E 8.23 3.90 0.00 2.38 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 0.00 2.45 2.64 0.00 181 L 7.71 4.03 0.00 1.91 1.71 0.90 0.91 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 0.00 182 R 7.85 4.03 0.00 1.11 1.50 0.00 2.83 0.00 0.00 2.99 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.15 0.00 183 T 7.46 4.12 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 0.99 0.00 0.00 184 S 7.08 4.54 0.00 3.94 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 0.00 185 N 8.56 4.20 0.00 2.69 2.80 0.00 0.00 7.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 8.93 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 0.00 0.00 0.00 187 T 7.20 4.22 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 1.17 0.00 0.00 188 Q 8.27 4.27 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 189 R 8.55 3.90 0.00 1.92 2.04 0.00 3.17 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 190 E 8.25 3.96 0.00 2.06 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 2.41 2.44 0.00 191 H 8.13 4.22 0.00 3.21 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 I 7.81 4.20 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.98 0.89 0.00 0.00 193 D 8.25 4.35 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.82 3.97 0.00 1.94 1.83 0.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 195 A 8.34 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 196 N 8.36 4.24 0.00 2.97 2.82 0.00 0.00 6.79 7.58 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 0.00 197 A 7.89 4.02 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 0.00 198 C 8.23 4.10 0.00 3.32 3.03 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 0.00 199 K 7.98 3.89 0.00 1.62 1.80 0.00 0.65 0.00 0.00 1.15 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 0.81 7.81 200 E 8.09 4.02 0.00 2.24 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 2.36 2.43 0.00 201 I 7.49 3.73 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.83 0.00 0.00 202 F 8.59 4.08 0.00 3.15 3.37 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 0.00 203 I 8.40 4.05 1.87 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 1.89 1.50 0.87 0.00 0.00 204 K 7.83 4.12 0.00 1.86 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.74 7.81 205 E 7.71 3.99 0.00 1.73 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 2.35 2.36 0.00 206 F 8.13 4.81 0.00 2.38 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 0.00 207 P 0.00 4.53 0.00 2.28 2.33 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.84 0.00 208 S 8.42 4.24 0.00 3.99 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 0.00 209 I 8.58 3.80 2.12 0.00 0.00 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 1.78 0.95 0.96 0.00 0.00 210 A 8.24 3.99 1.67 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 0.00 0.00 211 K 8.16 3.86 0.00 1.98 2.03 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 212 A 7.76 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 7.25 4.29 0.00 0.79 0.86 -0.41 0.79 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 0.00 214 D 7.61 4.53 0.00 2.87 2.86 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 0.00 215 W 8.46 4.80 0.00 3.42 3.09 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 0.00 216 V 8.08 4.64 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 0.82 0.00 0.00 0.98 0.00 0.00 217 H 8.75 4.46 0.00 3.19 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.