NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5944 8.1733 120.1124 56.6982 34.4443 173.9496 3 T 5.0558 10.7500 120.3906 61.6674 70.9814 172.0497 4 I 4.9683 9.3430 127.1454 59.3923 40.8863 173.8391 5 F 4.8147 8.7627 128.7747 56.2349 41.7298 174.1970 6 S 4.4847 7.8183 120.7431 56.2947 64.9800 172.5169 7 G 4.3397 8.7524 114.6137 44.8388 0.0000 172.5491 8 I 4.4900 8.8453 126.6878 59.8983 39.5032 176.5157 9 Q 3.7463 8.9452 127.2415 58.7708 29.4170 176.9879 *15 T 4.9388 7.6657 108.0289 61.6667 71.2816 174.1559 16 I 4.2188 8.1243 113.7135 62.8479 38.0463 178.2028 17 G 3.5483 8.0596 108.0531 47.6418 0.0000 175.0689 18 N 4.3276 7.9237 119.1024 56.6850 39.0456 176.2812 19 Y 4.1181 7.7942 120.3177 60.9658 38.6912 178.2014 20 I 3.7695 8.3371 119.9584 64.0995 37.2003 178.5510 21 G 3.6755 7.8110 105.1634 47.2934 0.0000 174.6044 22 A 4.8993 8.5050 124.4326 51.8817 20.2576 178.2316 23 L 4.5478 7.6785 116.1236 56.7845 42.2565 178.6180 24 R 3.6225 7.9819 117.5486 57.7090 30.2627 177.3140 25 Q 4.3902 7.6428 116.2703 58.5539 29.8050 177.5697 26 F 4.4027 7.8641 118.5151 59.6039 38.6205 177.6020 27 V 3.6277 7.0656 116.9409 65.8846 31.5648 177.0598 28 E 4.8162 8.7862 115.8752 56.5954 30.3169 178.0222 29 L 4.2488 7.7372 119.6151 57.3702 41.6030 178.7381 30 Q 4.1725 8.2364 117.1435 59.6753 28.3286 178.3398 31 H 4.4077 7.8670 117.3676 57.8208 28.8975 175.6780 32 E 4.3654 8.1255 118.2799 56.1224 30.5303 174.6566 33 Y 4.9317 7.4024 114.7259 56.3732 42.2850 175.0785 34 N 4.4926 9.5659 121.9914 54.1576 39.7485 173.2496 35 C 4.9060 8.4442 124.3226 58.2697 31.0353 172.4821 36 Y 4.5987 8.0320 119.8555 56.1772 41.1927 174.8234 37 F 4.7256 9.4265 123.6224 55.3534 40.3613 171.9435 38 C 3.4709 7.7114 122.7502 58.0954 33.1135 172.3401 39 I 4.2062 8.3593 128.3118 60.1284 36.4577 175.8102 40 V 4.3796 8.4203 123.8625 61.0924 28.0457 176.2417 41 D 4.4614 7.9397 122.3214 55.9147 39.8331 178.3988 42 Q 4.0632 8.6245 118.9833 58.4062 29.0279 177.4524 43 H 4.3795 8.2541 116.9958 58.2082 28.8181 176.9520 44 A 4.0324 7.4099 121.2283 55.1509 18.5361 178.8901 45 I 4.1883 7.2860 108.6194 61.8035 37.6629 177.2764 46 T 4.2958 7.6406 110.2040 62.3249 68.7743 174.0896 47 V 4.5683 6.9024 113.3393 59.2233 35.9850 174.4632 48 W 4.0140 8.8585 131.1064 58.3194 30.8384 175.5149 49 Q 4.5372 7.8230 122.9168 53.0047 32.3202 174.1687 50 D 4.3660 9.1113 121.0872 54.5891 42.0053 175.4796 51 P 4.1821 0.0000 0.0000 65.9049 31.1652 178.1889 52 H 4.2354 8.3249 116.6564 59.4027 29.6986 177.2615 53 E 3.9013 8.0837 119.9622 58.9637 29.3134 178.6753 54 L 4.2641 8.1965 120.8004 58.3739 41.9170 178.7932 55 R 3.8638 7.8965 118.4481 59.7815 29.7910 178.0937 56 Q 3.8780 7.7977 118.8401 58.9561 29.0392 177.6959 57 N 4.3465 9.0960 118.7418 56.3511 38.3437 177.3192 58 I 3.6544 8.1304 121.6631 64.3741 37.1131 178.5359 59 R 3.9113 7.4905 119.0634 59.4734 30.0270 178.6968 60 R 4.0170 8.1798 118.0451 59.2812 29.5559 178.7061 61 L 3.9812 8.2957 120.0699 58.0398 41.6368 178.9346 62 A 3.9336 7.6831 120.2771 55.2540 18.3060 179.5372 63 A 3.5277 7.8231 118.6718 54.8874 18.4770 179.7770 64 L 4.0842 8.1794 117.5543 57.7480 41.6420 178.8902 65 Y 3.9878 7.6210 115.6772 60.1570 37.7239 177.6899 66 L 3.9204 7.2729 119.6177 57.1218 41.4634 179.0885 67 A 4.2073 7.9846 120.4515 55.1426 18.4357 179.5410 68 V 3.7512 7.5325 116.0058 64.8637 31.5117 176.3627 69 G 4.3092 7.4786 107.9860 45.6345 0.0000 174.0124 70 I 3.7669 8.0486 121.1649 60.9022 37.4881 175.4010 71 D 4.8131 9.1079 124.6962 51.8530 41.9493 175.0188 72 P 4.4547 0.0000 0.0000 65.4218 31.6853 177.8796 73 T 4.0105 8.0150 106.5854 64.5884 68.3893 174.2177 74 Q 4.2198 7.8744 120.3828 56.1364 29.9199 174.8942 75 A 4.7550 9.4565 118.1614 50.1924 23.0182 175.6460 76 T 4.4388 8.5086 117.0319 62.1345 69.7105 174.0779 77 L 5.0859 8.5701 130.2723 53.2888 44.2030 174.8705 78 F 5.0706 8.7036 120.6385 55.1063 42.2283 173.4759 79 I 4.4027 8.2229 119.3620 59.7933 38.3067 176.7473 80 Q 3.9808 8.9678 129.0137 59.3540 28.9855 179.0840 81 S 4.2782 8.0947 110.3997 60.8024 63.2923 174.8374 82 E 4.2378 7.9412 118.7835 57.2345 29.2272 177.3316 83 V 4.8100 7.5129 119.2438 58.2551 31.8557 173.7734 84 P 4.2738 0.0000 0.0000 64.7707 31.3395 177.4485 85 A 4.1430 8.1850 119.2434 55.1810 18.0153 179.3098 86 H 4.0375 8.4791 114.9404 59.0954 28.6996 177.7914 87 A 4.1783 8.0097 121.4410 54.5057 17.9638 179.5612 88 Q 3.9963 7.5380 116.4321 59.1345 29.0719 178.0315 89 A 4.0199 7.8323 120.1628 55.0159 18.7232 179.0646 90 A 4.2277 8.0276 119.3932 54.9327 18.5264 180.0753 91 W 4.5093 7.7311 123.7730 58.0295 30.7134 177.7691 *93 L 4.0883 7.9679 119.2274 54.1469 42.9563 178.3663 94 Q 3.9248 7.3878 116.7852 57.3191 29.0344 175.8500 95 C 4.1571 6.9321 112.8918 60.2946 28.7584 174.0169 96 I 4.2013 7.0345 111.4625 60.5838 39.1693 176.4750 97 V 3.7707 7.5640 120.9889 61.4754 32.1086 176.1261 98 Y 4.4243 12.0000 120.0295 57.7141 40.4271 176.3948 99 I 4.2599 8.2337 120.0286 62.8366 37.9700 178.5307 100 G 3.6122 8.0950 106.1486 47.4665 0.0000 175.4187 101 E 4.0552 7.9955 119.8489 59.0724 29.7153 178.7827 102 L 4.0860 7.3016 117.5864 57.9632 41.8992 179.0800 103 E 4.3125 8.1796 117.2553 58.2060 29.4252 177.5182 104 R 3.9374 7.3041 118.7153 56.2814 29.9131 176.1272 *106 T 4.3399 8.4531 113.5239 61.6222 70.4482 174.5856 107 Q 4.1600 7.7060 119.0429 54.9269 29.6634 175.1805 *118 V 3.8092 7.8206 117.6030 62.8919 31.8688 174.3701 119 S 4.4851 8.4205 119.6050 57.0482 62.8993 174.4973 120 A 4.4963 8.9630 130.6606 55.6298 18.0605 179.2520 121 G 3.7633 8.1389 103.4485 47.6779 0.0000 175.4296 122 L 4.4412 9.2070 120.1838 56.4207 41.7906 177.8673 123 L 4.4910 8.1355 120.0037 56.1889 43.1521 177.2977 124 T 4.3284 7.6837 106.4788 62.0213 69.7669 175.6609 125 Y 4.2472 7.6625 120.7529 59.5083 37.6939 176.2755 126 P 3.9494 0.0000 0.0000 65.1242 31.7361 176.4415 127 P 4.3446 0.0000 0.0000 64.6079 31.2037 177.5471 128 L 3.9186 7.5755 118.9419 55.4724 41.9158 178.3600 *130 A 4.0853 8.2146 121.0236 51.6584 20.4822 179.3824 131 A 3.9484 7.8439 117.5110 55.5904 18.0911 179.2854 132 D 4.3547 7.7132 115.6553 57.9592 40.8704 179.5868 133 I 3.4086 7.2215 119.1981 64.0922 37.3373 178.0258 134 L 4.0102 8.5789 120.5302 58.0548 41.2590 179.4903 135 L 3.6747 7.5299 118.0193 57.6358 41.5472 177.9215 136 Y 4.3416 6.7658 112.1246 56.8876 38.1245 175.1927 137 N 4.2556 7.9577 116.4833 54.3383 36.7307 174.9495 138 T 4.2363 7.8336 106.4074 62.0491 69.7230 173.9477 139 D 4.7502 9.4947 124.1927 55.9490 42.8566 176.5854 140 I 4.8967 7.6665 117.2118 59.4025 41.8039 174.8600 141 V 4.7395 9.6394 125.5573 60.0516 33.8921 174.1312 142 P 5.0902 0.0000 0.0000 62.3148 28.6291 175.4545 143 V 4.5380 7.5947 115.7879 60.0455 35.3475 176.7521 144 G 4.0959 8.0969 110.5811 45.4743 0.0000 174.1130 145 E 3.8629 8.7212 117.6363 58.4636 29.4764 178.3371 146 D 4.4451 8.1273 118.5462 55.9021 39.8689 177.4348 147 Q 4.4760 7.6123 117.1285 55.5635 29.0832 177.1613 148 K 3.7910 7.6509 121.9870 59.9468 31.6901 178.2131 149 Q 3.9822 8.1188 118.6280 59.3028 28.6222 177.5720 150 H 4.4699 8.7242 117.2649 57.7384 28.8070 177.1846 151 I 3.9892 7.5343 120.9753 63.0739 37.7347 177.0634 152 E 3.8688 8.4031 120.8112 59.4965 29.4633 179.0342 153 L 3.9353 7.6013 119.0917 58.4084 42.4395 178.9597 154 T 3.9316 7.6134 108.9905 64.1570 68.5411 176.8512 155 R 3.8901 8.5566 122.0372 59.4480 30.1719 178.4586 156 D 4.6322 7.8249 119.4456 56.7974 40.7038 178.9959 157 L 3.9649 7.7421 119.0726 57.4109 41.5642 179.3534 158 A 3.8287 7.8235 120.3805 55.0983 18.3737 179.1812 159 E 3.9102 8.3728 117.4990 59.7951 29.4464 180.0360 160 R 4.1430 8.0341 117.3527 58.9852 30.7461 178.8038 161 F 4.3170 8.6693 120.5645 61.2981 39.4616 176.7552 162 N 5.2972 8.6354 117.4363 54.9720 38.0959 176.7348 163 K 4.3234 7.9283 118.6112 57.3262 32.9441 178.6022 164 R 3.8554 7.7560 118.0944 58.7640 30.3652 176.4446 165 Y 4.1873 7.4359 111.8348 57.1649 38.8124 176.2235 166 G 3.6682 7.6298 106.8639 44.6741 0.0000 172.2197 167 E 4.6826 8.2346 119.5540 54.7145 28.7844 174.7647 168 L 4.5583 8.6636 126.2271 54.2590 44.4627 176.3547 169 F 4.8164 8.3390 116.5200 55.3800 41.1389 175.1766 170 T 4.0195 8.5781 122.0012 63.1846 68.1779 174.4482 171 I 3.7710 8.4500 128.7892 61.0016 37.2628 174.1944 172 P 4.9060 0.0000 0.0000 62.9696 33.5070 173.8411 173 E 4.7083 7.8120 115.0170 56.0686 33.8539 175.9669 174 A 5.3465 8.6949 125.7461 50.5402 18.7789 176.3023 175 R 4.4392 8.3372 120.9792 55.4299 32.5859 175.3027 176 I 4.1512 8.4421 128.0081 59.1543 37.3079 173.6499 177 P 4.0384 0.0000 0.0000 63.7344 31.9279 177.3231 178 K 3.7595 8.6358 124.1511 56.7305 29.2207 176.3447 179 V 3.4038 7.6713 109.4354 62.1369 32.3111 177.5624 180 G 3.8664 8.3714 113.1187 44.1356 0.0000 172.6838 181 A 4.1970 8.1130 121.8553 51.0664 19.1223 177.4592 182 R 3.9034 8.5396 121.3965 56.7951 30.2398 176.4100 183 I 4.2797 8.0349 125.9010 59.6691 39.3560 174.9136 *185 S 4.4809 8.0941 114.9167 58.0951 62.9506 174.7422 186 L 4.0768 8.7997 127.0676 57.3631 41.7300 179.0281 187 V 3.8875 7.2673 111.6435 62.9964 32.1236 175.5228 188 D 4.8065 8.0993 118.7239 51.9947 41.9625 174.5706 189 P 4.4953 0.0000 0.0000 64.3561 31.8864 177.7957 190 T 4.0045 9.0084 116.3726 66.2726 68.5396 175.5777 191 K 4.3747 7.4232 117.7977 55.3799 32.8572 175.8710 192 K 4.2051 7.8148 117.6760 58.4493 34.0023 176.1468 *194 S 4.1537 7.5051 115.8660 56.6779 63.6231 174.3863 195 K 2.8138 8.0755 124.7515 59.2974 32.7739 178.9218 196 S 4.4054 7.4236 113.3019 58.8093 62.0949 172.9766 197 D 4.7815 7.6054 120.8531 52.3812 41.8466 175.0031 198 P 4.2965 0.0000 0.0000 64.8804 31.8920 175.8347 199 N 4.7134 8.9857 118.6356 51.3117 38.7474 173.6408 200 P 4.1746 0.0000 0.0000 63.6831 31.7320 177.4534 201 K 4.0463 7.6353 116.9934 56.8774 33.1656 177.2634 202 A 4.1839 7.7464 124.4131 54.2419 18.8987 176.6212 203 Y 5.2606 6.8552 112.6400 55.3297 42.4177 174.5605 204 I 4.8412 8.2598 118.8687 59.9251 40.9340 175.5064 205 T 4.7595 8.5941 122.3533 62.3414 70.1336 176.1207 206 L 3.9496 8.4774 122.5559 56.7702 41.9031 178.1399 207 L 4.4259 7.4692 116.7582 54.2062 42.0239 175.8915 208 D 4.5146 7.4552 119.3568 53.9362 41.2518 176.7233 209 D 4.6863 8.3285 122.7103 52.5512 42.3733 177.5552 210 A 3.8336 8.3548 121.8098 54.9703 18.0984 180.0076 211 K 3.8944 8.0099 118.1169 59.6313 31.8917 178.5347 212 T 4.1680 8.3648 115.4675 65.1382 68.9089 177.2148 213 I 3.6985 8.7472 123.2100 64.3887 37.2033 178.2092 214 E 4.0141 8.1160 119.1681 58.9609 29.1407 179.6525 215 K 3.9578 7.5295 118.8017 59.4371 31.9709 179.5457 216 K 4.0253 7.4003 116.6458 59.4858 31.9912 179.2724 217 I 3.8885 7.4327 118.9772 64.1933 37.2208 178.1367 218 K 4.4876 7.8291 116.4101 56.4806 31.9977 176.9897 219 S 4.4210 7.2497 112.8341 56.6622 63.8382 174.2014 *224 S 4.4396 8.5285 120.5524 57.8115 64.1343 174.7555 225 E 3.9530 8.2891 123.0841 56.9972 29.6779 177.7910 226 G 3.5313 8.3292 104.6614 45.6682 0.0000 172.6756 227 T 4.5313 7.2502 108.2999 59.5908 70.8776 175.0417 228 I 4.1247 8.0638 126.4998 59.8623 35.8009 174.7173 229 R 4.8233 7.6036 120.6553 54.1078 34.1892 174.3517 230 Y 4.2161 9.9681 124.2028 56.7747 39.5334 175.1971 *237 G 3.9650 8.6067 116.0850 45.8019 0.0000 174.3789 238 I 3.4518 7.6117 121.2464 64.0467 37.1133 178.2650 239 S 4.2679 8.1150 115.2233 61.9547 62.5345 176.4859 240 N 4.3368 8.0057 118.7393 56.8989 38.8374 176.5867 241 L 4.1151 7.8847 120.0527 58.1054 41.6225 179.7305 242 L 4.3873 8.3872 118.9782 57.8384 41.7050 178.9768 243 N 4.3619 8.8531 116.8887 56.3698 38.5373 177.6251 244 I 3.7443 8.0800 121.1385 64.4977 37.2489 177.5833 245 Y 3.9278 8.3566 120.7494 60.8836 38.5319 178.2954 246 S 4.1904 8.5893 114.2163 61.7581 62.4470 175.9484 247 T 3.9630 7.7512 111.3116 64.8081 68.2055 175.7570 248 L 4.2708 7.6874 120.6407 57.3631 42.0915 179.0239 249 S 4.3393 8.2466 113.3443 61.3267 63.2703 175.3003 250 G 4.0766 8.4091 108.2297 44.9352 0.0000 173.7543 251 Q 4.4564 7.3431 117.6775 54.8389 30.9864 175.4527 252 S 4.8293 8.1370 111.7868 56.6063 67.2450 174.5996 253 I 3.5115 8.3070 123.3010 64.2291 36.7423 177.8152 254 E 4.4047 7.9567 118.3124 57.9949 30.2707 177.6480 255 E 3.9449 8.0580 119.3008 59.1943 29.4363 178.6628 256 L 4.2156 8.7521 119.0690 56.8660 41.6214 178.8287 257 E 4.0309 7.7690 118.9503 59.2523 29.6182 178.5445 258 R 4.0125 7.8646 117.4494 59.4060 30.2683 178.4256 259 Q 4.1313 7.9096 118.5176 57.9802 29.9316 176.2696 260 Y 4.4833 7.4106 118.0322 56.0835 36.9266 173.9252 261 E 4.6159 8.2338 124.4063 54.9313 32.2218 175.5716 262 G 4.1552 8.5891 110.4054 46.1666 0.0000 173.0448 263 K 4.5234 7.5905 117.4015 54.4750 34.0951 176.5835 264 G 3.9278 8.0681 109.7169 44.5824 0.0000 173.8596 265 Y 4.6635 8.1183 115.4219 60.5731 37.9359 178.2310 266 G 3.7076 8.2215 106.5896 47.7630 0.0000 175.5718 267 V 3.8763 7.9121 119.4795 64.9932 31.6420 177.5687 268 F 3.9678 7.5646 121.2598 60.7098 39.3922 177.6479 269 K 3.9728 9.0022 118.3964 59.2837 31.2607 179.2719 270 A 4.0074 8.0417 121.0620 55.2658 18.2120 179.4940 271 D 4.4035 8.1906 117.5220 57.3893 40.8189 178.7191 272 L 3.2991 7.9271 120.6534 57.4113 42.1072 178.4055 273 A 4.0275 7.9677 120.0346 53.8329 18.1975 179.0717 274 Q 4.0244 7.0721 113.4184 58.2363 29.3770 178.4824 275 V 3.6074 7.0427 111.2476 64.1510 31.5764 178.1024 276 V 3.7519 7.3372 120.3711 64.3231 31.0821 177.7085 277 I 3.0162 7.6961 119.6129 64.3121 36.9012 177.5331 278 E 3.9170 7.8769 118.9157 58.5862 29.9223 177.9161 279 T 4.1312 8.7361 116.7993 65.4388 68.7029 176.1114 280 L 4.3221 7.6249 119.0174 55.4800 42.1984 178.2917 281 R 4.1609 7.4509 119.0735 58.4163 29.9874 176.4155 282 P 4.3304 0.0000 0.0000 64.8109 31.2893 178.4378 283 I 3.9469 7.4967 118.2097 64.0214 37.5026 178.0495 284 Q 4.0260 8.4349 118.7329 58.5362 28.1804 178.5998 285 E 4.2816 7.8124 118.6586 58.9867 30.0856 178.7411 286 R 4.1340 7.9029 118.2397 58.9472 29.8192 178.4141 287 Y 4.1496 8.3174 119.7739 61.2616 38.7025 177.8729 288 H 4.1016 7.8855 114.2932 58.7516 28.9501 177.5322 289 H 4.3097 7.8281 118.3569 58.3858 28.5235 178.9194 290 W 4.4084 7.8370 120.5847 56.7834 29.9573 177.1662 *292 E 4.2673 8.2568 118.5841 56.1039 30.9192 176.3308 293 S 4.3443 8.2880 114.7248 58.2668 65.2294 173.7421 294 E 4.6347 8.3552 116.9597 56.1169 30.6472 176.8654 295 E 4.1700 8.5041 120.8174 57.9179 29.1952 178.0792 296 L 4.2415 7.9868 120.2405 59.1743 42.2798 178.3626 297 D 4.4489 7.9899 118.5785 57.1261 40.6215 179.1821 298 R 3.9992 7.8550 118.4642 59.1592 30.1328 178.7650 299 V 3.6815 8.0899 117.2442 65.8852 31.5814 177.9648 300 L 4.1309 7.7117 118.2097 58.0157 41.1718 178.7535 301 D 4.2872 7.8102 118.8563 57.7362 41.0010 178.5927 302 E 4.2777 8.4144 118.2979 57.7413 29.7962 178.6125 303 G 3.7970 9.2412 108.3472 47.0766 0.0000 175.6520 304 A 4.2221 8.0305 122.0520 54.0289 18.5674 178.7881 305 E 4.2242 7.8672 116.2226 58.0214 29.8245 178.9270 306 K 3.9092 7.5979 117.7273 59.3277 32.1104 179.0674 307 A 3.9511 7.5930 120.3785 55.3006 18.0810 179.1883 308 N 4.2411 8.0232 114.9410 56.8115 38.4146 177.7904 309 R 3.9330 7.7554 118.0911 59.0927 30.4755 179.1808 310 V 3.7293 7.5979 117.8737 65.9281 31.4715 177.7558 311 A 3.6270 8.0266 119.0620 55.5365 18.5223 179.4417 312 S 4.1584 7.9509 113.2834 61.6625 63.0186 177.1245 313 E 3.8354 7.5391 119.2096 56.7328 28.9271 178.4276 *315 V 3.8919 7.8906 117.8871 62.3465 33.3422 176.5886 316 R 4.0107 7.8246 119.6977 59.2693 30.0767 177.6073 317 K 4.4526 7.8161 116.1369 56.9684 32.0230 178.6415 *319 E 4.2292 8.2346 121.0322 56.4902 31.3834 178.1962 320 Q 3.9174 7.9222 118.3889 58.9968 29.1772 176.9131 321 A 4.2355 7.6612 117.8297 53.0748 17.6954 177.9681 *323 G 3.9227 7.9830 105.0664 46.0097 0.0000 173.4390 324 L 4.1681 7.9009 120.7560 55.3275 43.0651 176.9279 325 G 3.9618 8.8231 112.7262 46.6072 0.0000 173.6454 326 R 4.1786 8.4944 124.2079 56.2628 31.2107 174.3911 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 2 K 8.17 4.59 0.00 2.12 2.20 0.00 1.94 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.65 7.81 3 T 10.75 5.06 4.62 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 1.52 0.00 0.00 4 I 9.34 4.97 1.83 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.70 0.97 0.00 0.00 5 F 8.76 4.81 0.00 3.11 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 6 S 7.82 4.48 0.00 3.47 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 7 G 8.75 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.85 4.49 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 1.07 0.00 0.00 9 Q 8.95 3.75 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 *15 T 7.67 4.94 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 1.15 0.00 0.00 16 I 8.12 4.22 1.92 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 1.63 0.87 0.98 0.00 0.00 17 G 8.06 3.55 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 0.00 18 N 7.92 4.33 0.00 2.81 2.94 0.00 0.00 6.82 7.22 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 19 Y 7.79 4.12 0.00 3.05 3.12 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 20 I 8.34 3.77 1.90 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 1.53 1.08 0.91 0.00 0.00 21 G 7.81 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 22 A 8.51 4.90 1.51 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 0.00 0.00 0.00 23 L 7.68 4.55 0.00 1.90 1.84 0.67 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.98 3.62 0.00 0.67 1.51 0.00 3.04 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 25 Q 7.64 4.39 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.67 0.00 0.00 0.00 0.00 0.00 2.29 1.76 0.00 26 F 7.86 4.40 0.00 3.32 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 27 V 7.07 3.63 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 0.90 0.00 0.00 1.13 0.00 0.00 28 E 8.79 4.82 0.00 2.07 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 2.26 2.44 0.00 29 L 7.74 4.25 0.00 1.84 1.84 -0.24 0.79 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 30 Q 8.24 4.17 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.00 0.00 0.00 0.00 0.00 0.00 2.56 2.20 0.00 31 H 7.87 4.41 0.00 3.36 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.13 4.37 0.00 1.78 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 0.00 1.47 1.65 0.00 33 Y 7.40 4.93 0.00 3.11 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.57 4.49 0.00 2.85 2.94 0.00 0.00 7.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.44 4.91 0.00 2.90 2.43 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 36 Y 8.03 4.60 0.00 2.68 2.36 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 37 F 9.43 4.73 0.00 2.62 2.34 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 38 C 7.71 3.47 0.00 2.47 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 39 I 8.36 4.21 1.75 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 1.11 0.38 0.86 0.00 0.00 40 V 8.42 4.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 41 D 7.94 4.46 0.00 2.85 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 42 Q 8.62 4.06 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 43 H 8.25 4.38 0.00 3.38 3.38 0.00 5.83 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 44 A 7.41 4.03 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 45 I 7.29 4.19 1.81 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 1.72 0.71 0.86 0.00 0.00 46 T 7.64 4.30 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 47 V 6.90 4.57 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 0.68 0.00 0.00 0.99 0.00 0.00 48 W 8.86 4.01 0.00 3.48 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.82 4.54 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 50 D 9.11 4.37 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.18 0.00 2.19 2.07 0.00 3.66 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 2.08 2.07 0.00 52 H 8.32 4.24 0.00 3.20 3.61 0.00 5.60 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 53 E 8.08 3.90 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 54 L 8.20 4.26 0.00 1.76 1.70 0.91 0.98 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 55 R 7.90 3.86 0.00 2.19 2.06 0.00 3.19 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 56 Q 7.80 3.88 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 57 N 9.10 4.35 0.00 2.78 2.84 0.00 0.00 7.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.13 3.65 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 0.89 0.00 0.00 59 R 7.49 3.91 0.00 2.15 2.00 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 60 R 8.18 4.02 0.00 1.97 2.19 0.00 3.33 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 61 L 8.30 3.98 0.00 1.94 1.83 0.96 1.44 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 62 A 7.68 3.93 1.37 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 63 A 7.82 3.53 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.18 4.08 0.00 1.68 1.56 0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.62 3.99 0.00 2.97 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.27 3.92 0.00 0.75 0.67 -0.48 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.98 4.21 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.53 3.75 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 1.04 0.00 0.00 0.89 0.00 0.00 69 G 7.48 4.31 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 0.00 70 I 8.05 3.77 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 0.65 0.00 0.00 71 D 9.11 4.81 0.00 2.71 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 72 P 0.00 4.45 0.00 2.11 2.10 0.00 3.85 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 73 T 8.02 4.01 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 1.40 0.00 0.00 74 Q 7.87 4.22 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 75 A 9.46 4.76 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 76 T 8.51 4.44 3.67 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 1.16 0.00 0.00 77 L 8.57 5.09 0.00 1.68 1.49 0.79 0.64 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 78 F 8.70 5.07 0.00 3.19 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 79 I 8.22 4.40 1.91 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 1.21 1.06 0.98 0.00 0.00 80 Q 8.97 3.98 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 81 S 8.09 4.28 0.00 4.07 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 0.00 82 E 7.94 4.24 0.00 2.11 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 2.40 2.45 0.00 83 V 7.51 4.81 2.55 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 1.53 0.00 0.00 1.14 0.00 0.00 84 P 0.00 4.27 0.00 2.20 2.10 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 85 A 8.19 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.48 4.04 0.00 3.47 3.40 0.00 5.82 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 87 A 8.01 4.18 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 88 Q 7.54 4.00 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 89 A 7.83 4.02 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 90 A 8.03 4.23 1.44 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 0.00 0.00 91 W 7.73 4.51 0.00 3.47 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 *93 L 7.97 4.09 0.00 1.75 1.55 0.69 0.44 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 94 Q 7.39 3.92 0.00 2.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 95 C 6.93 4.16 0.00 2.76 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 96 I 7.03 4.20 1.87 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 1.40 0.60 0.93 0.00 0.00 97 V 7.56 3.77 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 0.60 0.00 0.00 0.92 0.00 0.00 98 Y 12.00 4.42 0.00 3.06 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 99 I 8.23 4.26 1.91 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 1.58 0.72 0.95 0.00 0.00 100 G 8.10 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 0.00 101 E 8.00 4.06 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 2.36 2.54 0.00 102 L 7.30 4.09 0.00 1.87 1.67 0.88 0.82 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 0.00 103 E 8.18 4.31 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 104 R 7.30 3.94 0.00 1.74 1.89 0.00 3.17 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 *106 T 8.45 4.34 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 1.25 0.00 0.00 107 Q 7.71 4.16 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 *118 V 7.82 3.81 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 0.80 0.00 0.00 0.96 0.00 0.00 119 S 8.42 4.49 0.00 3.93 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 0.00 120 A 8.96 4.50 1.37 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 0.00 121 G 8.14 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 0.00 0.00 0.00 122 L 9.21 4.44 0.00 1.96 1.83 0.98 1.01 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 0.00 123 L 8.14 4.49 0.00 1.61 1.89 0.92 0.84 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 0.00 124 T 7.68 4.33 4.63 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 1.27 0.00 0.00 125 Y 7.66 4.25 0.00 3.37 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 3.95 0.00 1.82 1.96 0.00 3.38 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.32 0.00 127 P 0.00 4.34 0.00 2.07 1.97 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 128 L 7.58 3.92 0.00 1.76 1.83 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *130 A 8.21 4.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.84 3.95 1.35 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 0.00 0.00 0.00 132 D 7.71 4.35 0.00 2.55 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 0.00 133 I 7.22 3.41 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 0.88 0.00 0.00 134 L 8.58 4.01 0.00 1.43 1.57 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.53 3.67 0.00 0.69 0.62 0.50 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 6.77 4.34 0.00 2.71 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 0.00 137 N 7.96 4.26 0.00 2.88 2.91 0.00 0.00 6.92 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 0.00 138 T 7.83 4.24 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 139 D 9.49 4.75 0.00 2.74 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 0.00 140 I 7.67 4.90 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.20 0.92 0.00 0.00 141 V 9.64 4.74 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 1.17 0.00 0.00 0.99 0.00 0.00 142 P 0.00 5.09 0.00 2.40 2.43 0.00 4.05 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 2.01 2.15 0.00 143 V 7.59 4.54 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 0.80 0.00 0.00 1.02 0.00 0.00 144 G 8.10 4.10 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 0.00 145 E 8.72 3.86 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 146 D 8.13 4.45 0.00 2.87 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 0.00 147 Q 7.61 4.48 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 148 K 7.65 3.79 0.00 1.85 2.11 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 149 Q 8.12 3.98 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 150 H 8.72 4.47 0.00 3.33 3.34 0.00 5.66 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 0.00 151 I 7.53 3.99 1.89 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 1.87 1.05 0.93 0.00 0.00 152 E 8.40 3.87 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 153 L 7.60 3.94 0.00 1.81 1.62 0.90 0.70 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 0.00 154 T 7.61 3.93 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 1.22 0.00 0.00 155 R 8.56 3.89 0.00 2.17 2.01 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 156 D 7.82 4.63 0.00 2.84 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 0.00 157 L 7.74 3.96 0.00 1.68 1.51 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.82 3.83 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 0.00 159 E 8.37 3.91 0.00 2.19 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 0.00 2.37 2.42 0.00 160 R 8.03 4.14 0.00 2.05 2.01 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 161 F 8.67 4.32 0.00 3.14 3.19 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 0.00 162 N 8.64 5.30 0.00 3.09 2.92 0.00 0.00 6.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.93 4.32 0.00 1.81 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.81 7.81 164 R 7.76 3.86 0.00 1.64 1.16 0.00 2.21 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.00 165 Y 7.44 4.19 0.00 2.08 2.41 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 0.00 166 G 7.63 3.67 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 0.00 167 E 8.23 4.68 0.00 1.92 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 2.23 2.35 0.00 168 L 8.66 4.56 0.00 1.55 1.68 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 169 F 8.34 4.82 0.00 3.28 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 0.00 170 T 8.58 4.02 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 1.29 0.00 0.00 171 I 8.45 3.77 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.38 0.94 0.00 0.00 172 P 0.00 4.91 0.00 2.19 2.31 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 173 E 7.81 4.71 0.00 2.06 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 0.00 2.13 2.19 0.00 174 A 8.69 5.35 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 0.00 175 R 8.34 4.44 0.00 1.78 1.76 0.00 3.25 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 176 I 8.44 4.15 1.86 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 1.37 0.70 0.88 0.00 0.00 177 P 0.00 4.04 0.00 1.99 2.14 0.00 3.67 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 1.77 2.03 0.00 178 K 8.64 3.76 0.00 1.82 1.81 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81 179 V 7.67 3.40 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 0.00 180 G 8.37 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 0.00 0.00 0.00 181 A 8.11 4.20 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 0.00 182 R 8.54 3.90 0.00 1.81 1.91 0.00 3.24 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 183 I 8.03 4.28 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 0.96 0.00 0.00 *185 S 8.09 4.48 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.80 4.08 0.00 1.79 1.70 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.27 3.89 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 0.68 0.00 0.00 0.94 0.00 0.00 188 D 8.10 4.81 0.00 2.57 2.57 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 0.00 189 P 0.00 4.50 0.00 2.06 2.06 0.00 3.71 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 1.99 2.08 0.00 190 T 9.01 4.00 4.83 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 1.22 0.00 0.00 191 K 7.42 4.37 0.00 1.85 1.77 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.58 7.81 192 K 7.81 4.21 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 *194 S 7.51 4.15 0.00 3.86 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 0.00 195 K 8.08 2.81 0.00 1.59 1.66 0.00 1.45 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.28 7.81 196 S 7.42 4.41 0.00 3.81 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 0.00 197 D 7.61 4.78 0.00 2.89 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 0.00 198 P 0.00 4.30 0.00 2.11 2.12 0.00 3.76 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 2.09 0.00 199 N 8.99 4.71 0.00 2.72 2.80 0.00 0.00 6.87 7.44 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 0.00 200 P 0.00 4.17 0.00 2.06 2.28 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 201 K 7.64 4.05 0.00 1.78 1.83 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.36 7.81 202 A 7.75 4.18 1.51 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 0.00 0.00 0.00 203 Y 6.86 5.26 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 I 8.26 4.84 1.87 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 1.28 0.91 0.88 0.00 0.00 205 T 8.59 4.76 4.44 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 1.14 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 215 K 7.53 3.96 0.00 1.73 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.58 7.81 216 K 7.40 4.03 0.00 1.68 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 217 I 7.43 3.89 1.83 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 1.50 0.76 0.93 0.00 0.00 218 K 7.83 4.49 0.00 1.81 1.87 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.72 7.81 219 S 7.25 4.42 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *224 S 8.53 4.44 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 E 8.29 3.95 0.00 2.03 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 2.37 2.30 0.00 226 G 8.33 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.27 0.00 0.00 300 L 7.71 4.13 0.00 1.77 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 301 D 7.81 4.29 0.00 2.87 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 0.00 302 E 8.41 4.28 0.00 2.12 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 2.31 2.37 0.00 303 G 9.24 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 0.00 0.00 0.00 304 A 8.03 4.22 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 0.00 305 E 7.87 4.22 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 306 K 7.60 3.91 0.00 1.99 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.77 7.81 307 A 7.59 3.95 0.57 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 0.00 308 N 8.02 4.24 0.00 3.07 2.90 0.00 0.00 7.10 7.78 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 0.00 309 R 7.76 3.93 0.00 2.00 2.01 0.00 3.17 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 1.67 1.95 0.00 310 V 7.60 3.73 2.43 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 1.15 0.00 0.00 1.11 0.00 0.00 311 A 8.03 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 312 S 7.95 4.16 0.00 4.21 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 0.00 313 E 7.54 3.84 0.00 2.14 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 2.27 2.24 0.00 *315 V 7.89 3.89 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 0.78 0.00 0.00 0.84 0.00 0.00 316 R 7.82 4.01 0.00 1.97 2.04 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 317 K 7.82 4.45 0.00 1.85 1.71 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.73 7.81 *319 E 8.23 4.23 0.00 2.11 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 2.29 2.40 0.00 320 Q 7.92 3.92 0.00 2.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.47 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 321 A 7.66 4.24 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 *323 G 7.98 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 0.00 324 L 7.90 4.17 0.00 1.69 1.65 0.97 0.96 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 0.00 325 G 8.82 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 0.00 326 R 8.49 4.18 0.00 1.75 1.77 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.