NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2193 8.1233 123.5870 52.2309 20.0352 178.6456 *2 N 4.6074 8.7504 112.7998 55.6465 40.3150 175.5989 3 D 4.4485 7.9575 117.0558 57.8593 40.8733 178.7243 4 I 3.8023 8.0361 119.6764 64.9499 37.3810 178.6986 5 V 3.6156 7.6020 117.3947 65.7470 31.0774 177.9534 6 A 4.0413 8.2308 120.5221 54.8620 18.3211 178.2931 7 S 4.4877 7.3872 108.3122 58.6092 63.4054 173.7384 8 T 4.6128 7.5270 117.8699 62.1172 70.4700 174.0395 9 Q 4.1469 8.8802 127.6970 58.3162 29.5300 175.7523 10 L 4.9160 7.4262 114.3060 51.8205 45.7304 174.2435 11 P 4.7527 0.0000 0.0000 63.1431 32.2592 175.9275 12 N 4.7574 9.1458 121.8129 53.4633 39.8581 174.4204 13 T 4.8387 8.5780 112.4977 59.1307 72.7480 174.8528 14 I 3.6097 8.5394 121.5141 64.5219 37.0418 178.4109 15 K 3.9036 7.9660 119.7937 59.8586 32.1878 178.8456 16 T 3.9483 7.9737 110.0299 64.6660 68.6227 176.6864 17 I 3.6513 8.0606 122.9782 64.4717 37.1553 178.1690 18 T 3.8279 8.0522 116.7892 66.9562 68.3054 176.2666 19 N 4.3273 8.0407 117.6697 56.4524 38.5974 177.2232 20 D 4.3630 8.1029 120.2453 57.2874 40.8771 178.8959 21 L 3.9241 8.1348 119.6220 57.9716 41.5249 179.8495 22 R 4.2015 8.0059 119.2739 58.5370 29.7258 179.0400 23 K 3.9141 7.8629 118.6930 59.4483 32.2793 178.4236 24 L 4.1203 7.6610 119.7638 57.1397 42.0945 176.5691 25 G 3.6056 7.3108 105.1145 44.8131 0.0000 174.1790 26 L 3.9572 7.9301 122.2166 54.7758 42.1023 176.2918 27 K 4.3774 7.8224 119.7916 55.1544 35.3711 175.2672 28 K 4.3197 7.7473 120.2805 57.4951 32.7093 176.4660 29 G 3.6373 8.3952 114.0495 45.7920 0.0000 171.7756 *31 T 4.5191 7.5209 116.0652 63.7333 70.8335 174.0208 32 V 4.9996 8.9777 126.1452 60.1233 35.1038 173.9607 33 I 4.6996 8.7426 125.5811 59.7707 39.5970 174.2585 34 V 4.8149 8.4112 129.0736 61.3697 33.9940 174.3273 35 H 5.1142 9.1177 124.2344 54.0961 32.3649 172.6475 36 S 5.0587 8.5911 115.7188 57.0689 66.1885 173.1994 37 S 4.5507 8.5978 116.7416 56.4334 63.6187 174.1634 38 L 4.0741 8.7353 129.6531 58.3315 42.0285 178.9229 39 S 4.2084 8.0591 113.8583 61.2401 62.8149 176.3115 40 S 4.1981 7.9149 117.7588 61.1911 62.5372 176.3399 41 I 3.8405 7.6882 122.8637 62.9330 36.8873 176.4277 42 G 4.1808 7.9760 106.1006 43.5204 0.0000 171.9832 43 W 4.1793 8.8712 129.2582 57.4473 31.6817 175.6697 44 I 4.6608 7.1101 127.1185 59.1314 40.0323 174.5973 45 S 3.7006 8.6709 122.8686 61.6360 61.5330 173.8786 46 G 3.9704 9.2752 116.0726 44.1231 0.0000 173.7058 47 G 3.6709 7.4499 108.7192 46.2030 0.0000 176.3862 48 A 3.9153 8.5985 122.7876 55.0624 18.0540 179.5331 49 V 3.5976 7.5357 115.9331 66.1879 31.6111 178.0791 50 A 3.9586 7.6576 120.3881 55.1054 18.1096 179.8526 51 V 3.4280 7.5706 116.2129 66.0089 31.5011 178.2517 52 V 3.3256 7.4510 116.6997 66.0938 31.4323 177.5910 53 E 3.9124 8.2559 117.1972 59.1134 29.5215 178.9412 54 A 4.1356 7.9829 120.9439 54.9036 18.3190 180.3409 55 L 3.9616 7.6702 114.3658 55.5666 41.2449 178.7797 *57 E 4.2106 8.0764 121.5647 56.3603 31.4659 177.3153 58 V 3.7476 7.9747 118.2185 66.0851 32.1098 178.1798 59 I 3.8039 8.2487 121.1759 63.0714 37.2634 176.6663 60 T 3.9950 8.1414 111.3543 60.3922 68.9400 172.3548 61 E 3.0302 8.7601 120.4969 59.2017 29.2739 178.5064 62 E 4.0270 8.3034 117.3784 57.5493 30.1005 176.1507 63 G 4.4901 7.9525 107.3196 44.8556 0.0000 172.1252 64 T 5.3592 8.2989 114.6538 62.0899 72.8815 173.1810 65 I 4.9718 9.3572 127.3628 59.8810 40.0034 174.9595 66 I 5.9406 8.6955 126.3780 57.8063 41.6559 172.1741 *68 P 4.0294 0.0000 0.0000 62.4469 32.0879 176.7351 69 T 4.7776 7.9808 111.7334 61.0802 67.9391 174.2437 70 Q 4.2903 7.9407 120.3914 56.8398 30.7305 177.8712 71 S 5.1213 8.4280 115.3008 57.0077 63.0622 175.0804 72 S 4.3935 7.8614 117.7702 60.8074 63.6903 176.8199 73 D 4.2458 8.0752 120.6418 56.9243 40.5944 176.9481 74 L 4.6548 7.7383 116.8501 54.8005 42.1224 176.9124 75 S 4.8587 8.0096 113.4969 56.6666 64.1946 173.4866 76 D 4.5394 8.7986 120.9288 53.8076 41.3487 175.2001 77 P 2.0000 0.0000 0.0000 63.3441 31.3262 178.2315 78 K 2.0000 7.2212 118.7327 58.8058 32.1623 177.2980 79 H 4.6813 7.0765 113.8855 55.3660 29.3312 175.2685 80 W 4.6776 7.5452 120.8503 56.7660 29.3950 176.6531 81 S 4.7274 8.5620 113.0197 58.5478 64.9067 174.6014 82 R 4.5471 7.6832 120.2402 54.2579 29.6533 171.2375 83 P 4.9050 0.0000 0.0000 59.9283 34.1602 173.7683 84 P 5.0240 0.0000 0.0000 62.1775 32.5169 175.3929 85 V 4.3610 8.0514 110.5044 58.4170 35.5985 174.1024 86 P 4.0180 0.0000 0.0000 62.8813 31.8095 177.4656 87 E 2.0000 8.1128 121.2865 58.2858 29.1550 179.0043 88 E 3.9672 7.7766 116.6156 59.0117 29.7949 178.7400 89 W 4.3951 8.2146 120.0881 59.1008 29.1330 178.3087 90 W 4.2793 8.0237 119.3927 60.1171 28.6761 178.2717 91 Q 3.9367 8.1195 118.4415 58.6458 28.4117 177.9271 92 I 3.6652 7.6686 120.7942 64.1988 37.2017 177.8992 93 I 3.6633 7.9390 120.9086 64.7335 36.7853 178.5413 94 R 2.8266 7.1564 116.7778 59.0772 29.7773 178.5007 95 D 4.5285 7.6426 116.6736 55.9685 41.0110 176.8864 96 N 4.9688 7.5878 114.3030 52.7520 41.0200 175.4016 97 V 3.8140 8.1396 118.9864 60.7868 31.8323 174.4704 98 P 4.3657 0.0000 0.0000 62.1043 31.8692 175.9505 99 A 4.2998 8.5843 123.7023 52.1905 19.0480 177.0904 100 F 4.1522 8.8111 123.7253 59.1351 40.1761 174.4949 101 E 4.4352 8.5182 125.2017 53.7038 32.3699 175.2085 102 P 3.7314 0.0000 0.0000 65.5397 31.6313 177.2773 103 H 4.4171 7.8724 114.4354 57.1950 29.2360 175.4809 104 I 4.2131 7.6444 118.6344 62.8377 38.8861 176.4743 105 T 3.8461 7.5580 116.3036 63.2026 68.4301 172.4935 106 P 4.4884 0.0000 0.0000 62.2829 32.1372 176.3764 107 T 4.4525 8.5597 111.5250 61.1824 69.7754 174.0386 108 R 4.3220 8.0913 121.8247 55.4858 32.8307 174.7323 109 A 3.3098 8.5351 127.2212 53.0356 15.0320 176.7988 *111 G 3.7783 7.2943 109.1474 43.6732 0.0000 171.8306 112 K 4.0940 8.3308 119.3133 59.0215 31.9159 179.9882 113 V 3.5802 7.6977 118.5510 65.8712 31.4258 178.1066 114 V 3.6803 7.7029 117.5584 66.0706 31.2881 177.5254 115 E 3.9816 8.0381 117.3108 59.5875 29.5057 178.8497 116 C 4.3055 8.1998 118.5699 62.4337 31.7436 175.1909 117 F 4.1919 8.5282 122.8036 61.4678 38.7677 177.3119 118 R 3.8190 8.3035 114.4268 58.7733 29.2855 177.9870 119 T 4.1799 7.5458 108.4401 61.9865 69.9229 174.7746 120 Y 4.0094 7.5762 121.1803 57.2225 38.6750 175.2070 121 P 4.2405 0.0000 0.0000 65.9357 31.2385 177.2409 122 N 4.9102 8.2016 113.6237 52.5724 38.8575 174.4763 123 V 4.2607 7.6707 119.0914 62.6140 32.2814 175.7131 124 V 4.6076 8.9981 121.0109 59.5066 34.9415 174.4890 125 R 5.2693 8.3902 123.5382 54.3364 32.5251 175.4229 126 S 4.4883 9.4027 121.1546 58.5531 64.3064 174.3732 127 N 4.9008 8.5825 120.0776 51.9950 37.2391 172.0965 128 H 4.5225 7.4857 120.6284 53.0825 33.2537 172.3356 129 P 3.1638 0.0000 0.0000 64.1395 31.8853 176.6859 130 L 4.5620 7.7761 118.7048 54.5051 44.9977 177.9304 131 G 3.9521 7.8841 104.7974 45.5541 0.0000 173.7728 132 S 4.8315 8.0871 114.4326 58.1987 64.7824 172.6717 133 F 5.3291 9.6928 118.4780 55.7682 43.5265 173.7948 134 A 5.4988 8.8672 121.5989 50.4726 22.1808 175.2068 135 A 5.5540 9.2714 121.3252 50.4041 23.4785 175.0298 136 W 5.2114 9.8685 129.1192 57.2953 34.7584 174.4928 137 G 3.0812 8.2955 110.8406 43.8044 0.0000 173.1586 138 R 3.6526 7.9654 118.9623 59.8547 30.1706 179.2747 139 H 4.8966 8.2355 113.0424 55.6171 29.3732 176.9629 140 A 4.0459 7.8958 126.0875 55.2291 18.1407 180.2072 141 E 3.8457 8.0606 117.2625 59.4954 29.6631 178.3203 142 E 3.9432 8.1407 117.3547 59.5363 29.8920 178.4153 143 I 3.8557 8.0118 120.0164 63.9935 36.9892 177.7741 144 T 4.3965 7.6043 107.7211 61.6284 69.5902 175.5773 145 V 3.9316 7.0640 115.6344 61.8825 32.4681 175.3508 146 N 4.3439 8.6526 116.5242 54.3353 35.7964 174.5876 147 Q 4.6174 7.2987 115.6104 55.2694 29.7554 175.6445 148 S 4.2661 8.3956 119.7914 57.8931 63.2857 173.6382 149 L 3.7598 8.3218 128.8374 58.4282 42.0983 179.0639 150 S 5.3186 7.7795 115.9200 57.5999 60.5087 173.5943 *152 S 4.6620 7.9705 117.4884 57.4485 64.9084 175.6925 153 L 4.7711 8.1811 119.1369 54.2378 42.8700 177.2640 154 G 4.2345 7.6394 109.3421 45.5499 0.0000 176.5490 155 E 4.0615 8.8520 121.2682 58.4365 30.0259 177.1607 156 E 4.5199 8.1462 118.0913 55.8446 29.9219 175.2924 157 S 5.0617 7.5041 113.8833 55.4785 65.7603 173.0933 158 P 4.2639 0.0000 0.0000 64.8563 30.6914 178.8991 159 L 3.8488 7.3087 117.3658 57.7698 41.4921 179.5260 160 R 3.9298 7.7758 118.2627 59.1990 30.1076 178.7180 161 K 3.9799 7.8859 118.0060 59.3923 32.0920 179.1875 162 I 3.6873 7.8587 120.1596 64.4108 37.0273 177.6871 163 Y 4.2884 7.8303 121.5365 60.3859 38.4022 178.1787 164 D 4.5078 8.2307 118.2997 56.9502 40.9816 177.8201 165 L 4.1846 7.5299 116.5880 53.8180 42.2821 175.9371 166 D 4.0224 7.8876 117.8269 55.0232 40.2139 173.1249 167 G 4.0689 7.6811 105.6875 46.0089 0.0000 172.6340 168 Y 5.0866 9.0788 116.4617 56.0468 42.1499 175.2230 169 I 4.9951 8.3373 120.7316 59.5092 40.9656 174.1027 170 L 4.9655 9.0173 129.2651 53.2391 44.6615 174.7119 171 L 4.9585 8.7402 126.5865 53.1874 44.1370 175.5781 172 I 4.3761 8.6386 125.7807 59.6466 38.6156 175.9367 173 G 4.1986 8.6610 113.3869 45.7514 0.0000 171.6630 174 V 4.4838 7.5577 111.1013 59.2268 35.6422 174.5140 175 G 4.3473 7.9731 109.3371 44.1489 0.0000 173.4528 176 Y 3.9902 8.6288 115.3885 60.1896 38.0576 177.7367 177 D 4.6848 8.2493 118.4142 55.5692 39.5992 177.0250 178 S 4.5101 7.8713 114.5719 58.7204 63.6649 174.7355 179 N 4.3985 7.9198 121.3237 51.9157 37.1733 174.8269 180 T 4.0630 8.0728 119.9265 66.6777 68.8336 175.3110 181 S 4.1525 8.3564 116.2242 61.7467 62.7957 176.7555 182 V 3.4529 7.7313 120.4089 65.5814 30.9643 177.5453 183 H 4.7377 8.2904 117.8150 58.3532 28.4207 177.1829 184 L 4.1117 8.0514 122.1351 58.1545 41.6248 179.1341 185 S 4.3477 7.7683 116.0466 61.0440 62.3347 176.3965 186 E 3.5313 8.3296 120.6057 59.3186 29.1450 179.3099 187 V 3.6371 7.9948 118.0265 66.4081 31.4166 178.4254 188 R 4.0065 8.1047 116.2486 58.2761 29.9590 178.1324 189 S 4.6553 7.8910 111.5118 56.9292 63.7420 174.0273 190 G 3.8684 7.8832 110.7395 46.6774 0.0000 176.0336 191 A 4.0300 7.9411 124.1552 53.9229 18.6282 178.3748 192 C 4.8853 7.0244 111.9232 57.5917 31.9696 173.8690 193 E 4.1622 8.3823 120.6780 56.1625 29.8156 176.6093 194 L 4.4754 8.1264 121.3729 53.9820 42.9961 176.3262 195 I 4.6658 8.5037 116.2216 58.8364 41.4716 174.4005 196 K 4.7045 8.5135 122.6587 55.8901 32.9581 176.5280 197 V 4.4368 8.4634 118.2734 59.6174 35.4941 174.4146 198 G 4.1824 7.7970 106.2878 45.5990 0.0000 171.6735 199 A 4.1029 6.8896 119.2678 50.0370 23.5019 173.6331 200 P 5.2579 0.0000 0.0000 61.8442 33.3051 174.9343 201 I 5.0001 8.8645 117.4599 58.7978 41.6616 174.4085 202 I 4.6662 8.3211 123.8479 60.5969 37.7122 175.3610 203 E 4.4248 9.4637 128.2341 56.2023 32.9236 175.2906 204 N 4.2480 9.6702 124.0709 54.4794 36.0906 173.7381 205 G 4.1999 8.5835 108.1316 45.5795 0.0000 172.7799 206 E 4.8042 8.1096 115.8854 54.1861 33.8074 174.8799 207 R 4.5490 8.5862 121.0745 56.6914 30.8328 175.7810 208 V 4.5544 9.1473 125.8603 60.8381 35.4010 173.9564 209 W 4.8867 9.0782 135.0000 56.8119 31.2807 174.8315 210 K 4.5343 8.5642 130.1079 54.7701 33.6468 174.7122 211 E 5.0338 8.7920 127.1146 55.4660 31.2315 175.1835 212 F 4.9331 8.4348 117.6131 56.2209 42.3800 172.4841 213 V 4.8187 8.3935 117.8970 60.7905 34.0863 172.0782 214 D 4.6473 8.7859 127.5393 54.1095 45.1747 176.6134 *216 D 4.3263 8.8720 108.5667 53.3513 41.2606 173.2759 217 Y 4.3672 7.1905 118.2644 58.4771 38.5203 176.8558 218 D 4.4506 9.4746 123.3352 52.1427 42.3941 175.7021 219 S 2.7900 8.1854 121.0965 58.9137 63.1418 175.3169 220 D 4.4560 7.9589 124.8744 57.3682 40.6944 178.3632 221 K 4.3463 7.5991 122.7600 58.2341 31.8990 184.0412 222 F 4.5659 8.0343 116.9814 60.9540 38.8125 177.7935 223 V 3.6257 7.8809 117.7995 66.0265 31.2437 177.4972 224 E 3.8811 8.0625 118.4527 59.2669 29.5126 178.5871 225 I 2.9130 7.0100 120.0752 63.9909 36.9794 178.6044 226 G 2.4344 7.7403 106.6131 47.2442 0.0000 175.8915 227 V 3.4639 7.2191 119.6632 65.7327 31.7116 177.4988 228 E 4.0927 7.8972 118.8866 59.0181 29.4698 178.3350 229 F 2.9554 8.1425 121.1734 61.0420 39.3964 176.9562 230 E 3.6117 8.0903 117.4694 58.6084 28.9520 179.0471 231 Q 3.9908 7.3683 117.6799 58.4929 28.7618 178.3593 232 K 4.1024 7.6597 118.4056 56.6001 32.1445 177.2480 233 G 3.7495 7.6267 107.2314 47.0039 0.0000 174.2659 234 T 4.3237 7.6262 106.6646 60.7282 69.3515 173.4175 235 V 4.3882 7.3091 122.3322 62.1859 32.9928 175.8514 236 T 4.2120 8.6169 125.0620 62.7359 71.1546 173.2411 *238 G 4.0223 8.2101 108.5332 46.6463 0.0000 171.7724 239 K 5.6606 8.3885 117.3861 53.8975 34.2237 176.4034 240 I 4.5066 7.9820 122.4470 60.1781 39.9989 176.7285 241 G 3.8752 8.3919 117.1352 47.1350 0.0000 174.8449 242 N 4.5777 8.8246 122.4584 53.2586 39.1080 174.6734 243 A 4.3023 8.0812 122.4197 51.1892 20.2392 177.0073 244 K 4.4124 8.7163 122.0817 56.6869 33.0061 176.0232 245 C 5.4048 9.0796 123.0711 58.0213 31.7720 173.8926 246 R 4.9499 8.8026 118.6935 54.6312 34.2094 174.1995 247 L 5.5856 8.7933 124.5873 52.1439 46.0111 175.3854 *249 K 3.9312 8.3504 121.4857 55.9073 33.6027 176.9055 250 Q 3.9128 8.7363 124.7639 59.3996 28.8880 178.8840 251 R 3.7360 7.6584 118.5687 59.0111 29.9813 178.3312 252 D 4.3464 7.7525 117.8922 57.5882 41.3540 178.2808 253 I 2.8295 7.5089 118.5802 63.5067 37.9497 177.8357 254 V 3.6767 7.9600 120.8918 65.4224 31.3948 177.7904 255 D 4.3976 8.4535 118.8003 57.3531 40.6649 178.2917 256 F 4.1496 8.2729 121.2947 61.4888 39.3541 177.4727 257 G 3.4949 8.2875 105.1262 47.9325 0.0000 175.7436 258 T 4.0674 8.1287 118.1998 66.6791 68.5170 176.6086 259 E 3.9563 8.2031 120.4102 58.8572 29.2075 179.0687 260 W 3.8008 7.9523 127.9201 60.5198 30.9735 177.7027 261 F 4.5508 8.4631 117.5610 60.8418 38.1576 177.9391 262 R 3.9760 7.9964 116.5025 59.0942 29.9564 178.9008 263 K 3.8925 7.7798 116.7609 57.2117 31.9982 177.1797 264 K 4.1950 7.8965 123.9983 56.6482 32.4123 175.8638 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 0 A 8.12 4.22 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 *2 N 8.75 4.61 0.00 2.80 2.91 0.00 0.00 6.83 8.08 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 3 D 7.96 4.45 0.00 2.94 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 4 I 8.04 3.80 1.99 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 1.46 0.89 1.07 0.00 0.00 5 V 7.60 3.62 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 0.81 0.00 0.00 0.65 0.00 0.00 6 A 8.23 4.04 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 7 S 7.39 4.49 0.00 4.15 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 8 T 7.53 4.61 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 1.37 0.00 0.00 9 Q 8.88 4.15 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 10 L 7.43 4.92 0.00 1.64 1.53 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.75 0.00 2.12 2.51 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 12 N 9.15 4.76 0.00 2.74 2.70 0.00 0.00 6.37 6.42 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 13 T 8.58 4.84 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 14 I 8.54 3.61 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.59 0.88 0.00 0.00 15 K 7.97 3.90 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 16 T 7.97 3.95 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 1.22 0.00 0.00 17 I 8.06 3.65 1.88 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 1.47 0.68 0.85 0.00 0.00 18 T 8.05 3.83 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 19 N 8.04 4.33 0.00 2.93 2.85 0.00 0.00 7.07 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 20 D 8.10 4.36 0.00 2.79 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 21 L 8.13 3.92 0.00 1.80 1.66 0.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.01 4.20 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 23 K 7.86 3.91 0.00 1.88 1.99 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 24 L 7.66 4.12 0.00 1.77 1.81 0.97 1.15 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 25 G 7.31 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 26 L 7.93 3.96 0.00 1.94 1.53 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 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0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.09 4.83 0.00 4.15 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 0.00 133 F 9.69 5.33 0.00 2.84 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.87 5.50 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 0.00 135 A 9.27 5.55 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 0.00 136 W 9.87 5.21 0.00 3.36 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 0.00 137 G 8.30 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 0.00 0.00 0.00 138 R 7.97 3.65 0.00 1.75 1.83 0.00 3.14 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 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0.00 0.00 173 G 8.66 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 0.00 0.00 0.00 174 V 7.56 4.48 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 175 G 7.97 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 0.00 0.00 0.00 0.00 176 Y 8.63 3.99 0.00 3.07 3.11 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 0.00 177 D 8.25 4.68 0.00 2.77 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 0.00 178 S 7.87 4.51 0.00 4.00 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 0.00 179 N 7.92 4.40 0.00 2.57 2.78 0.00 0.00 7.09 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 0.00 180 T 8.07 4.06 4.47 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 1.40 0.00 0.00 181 S 8.36 4.15 0.00 4.01 3.93 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 0.00 182 V 7.73 3.45 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.60 0.00 0.00 183 H 8.29 4.74 0.00 3.29 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.05 4.11 0.00 1.78 1.80 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 185 S 7.77 4.35 0.00 4.23 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.33 3.53 0.00 2.43 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 2.02 2.63 0.00 187 V 7.99 3.64 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.20 0.00 0.00 188 R 8.10 4.01 0.00 1.82 1.95 0.00 3.04 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 189 S 7.89 4.66 0.00 4.16 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 0.00 190 G 7.88 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 0.00 191 A 7.94 4.03 0.63 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 0.00 192 C 7.02 4.89 0.00 2.87 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 0.00 193 E 8.38 4.16 0.00 1.90 1.83 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 2.27 2.24 0.00 194 L 8.13 4.48 0.00 1.58 1.54 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.50 4.67 1.78 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 1.06 0.73 0.83 0.00 0.00 196 K 8.51 4.70 0.00 1.64 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.44 7.81 197 V 8.46 4.44 1.73 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 0.63 0.00 0.00 -0.17 0.00 0.00 198 G 7.80 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 0.00 0.00 0.00 199 A 6.89 4.10 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 0.00 200 P 0.00 5.26 0.00 2.29 2.55 0.00 3.67 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 201 I 8.86 5.00 1.87 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 1.18 1.07 0.80 0.00 0.00 202 I 8.32 4.67 1.90 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 1.26 0.84 0.93 0.00 0.00 203 E 9.46 4.42 0.00 1.88 1.73 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 2.20 2.26 0.00 204 N 9.67 4.25 0.00 2.83 2.93 0.00 0.00 7.30 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 0.00 205 G 8.58 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 0.00 0.00 0.00 206 E 8.11 4.80 0.00 1.97 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 2.21 2.28 0.00 207 R 8.59 4.55 0.00 1.90 1.94 0.00 3.25 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 208 V 9.15 4.55 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 0.99 0.00 0.00 1.01 0.00 0.00 209 W 9.08 4.89 0.00 3.68 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 0.00 210 K 8.56 4.53 0.00 1.78 1.62 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.47 7.81 211 E 8.79 5.03 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 2.44 2.46 0.00 212 F 8.43 4.93 0.00 3.13 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 0.00 213 V 8.39 4.82 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 0.97 0.00 0.00 0.93 0.00 0.00 214 D 8.79 4.65 0.00 2.82 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 D 8.87 4.33 0.00 2.55 2.52 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 0.00 217 Y 7.19 4.37 0.00 2.99 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 0.00 218 D 9.47 4.45 0.00 2.70 2.52 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 0.00 219 S 8.19 2.79 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 D 7.96 4.46 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 K 7.60 4.35 0.00 1.79 1.80 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.34 7.81 222 F 8.03 4.57 0.00 3.14 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 0.00 223 V 7.88 3.63 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 1.06 0.00 0.00 1.00 0.00 0.00 224 E 8.06 3.88 0.00 2.10 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 2.47 2.50 0.00 225 I 7.01 2.91 1.51 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.53 0.00 0.00 226 G 7.74 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 0.00 0.00 0.00 227 V 7.22 3.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 228 E 7.90 4.09 0.00 2.33 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 2.53 2.47 0.00 229 F 8.14 2.96 0.00 2.24 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 0.00 230 E 8.09 3.61 0.00 1.98 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 2.21 2.42 0.00 231 Q 7.37 3.99 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 232 K 7.66 4.10 0.00 1.41 1.70 0.00 1.90 0.00 0.00 1.50 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.29 7.81 233 G 7.63 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 0.00 234 T 7.63 4.32 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 1.17 0.00 0.00 235 V 7.31 4.39 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 0.88 0.00 0.00 0.94 0.00 0.00 236 T 8.62 4.21 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 1.27 0.00 0.00 *238 G 8.21 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 K 8.39 5.66 0.00 1.73 1.91 0.00 1.74 0.00 0.00 2.53 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 240 I 7.98 4.51 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.87 0.00 0.00 241 G 8.39 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 0.00 242 N 8.82 4.58 0.00 2.90 2.88 0.00 0.00 6.95 7.74 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 0.00 243 A 8.08 4.30 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 0.00 244 K 8.72 4.41 0.00 1.73 1.77 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.47 7.81 245 C 9.08 5.40 0.00 2.88 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 0.00 246 R 8.80 4.95 0.00 1.65 1.76 0.00 2.99 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 247 L 8.79 5.59 0.00 1.71 1.48 0.93 0.77 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 *249 K 8.35 3.93 0.00 1.76 1.44 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 1.29 7.81 250 Q 8.74 3.91 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 251 R 7.66 3.74 0.00 1.62 1.66 0.00 2.96 0.00 0.00 2.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 252 D 7.75 4.35 0.00 2.77 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 0.00 253 I 7.51 2.83 1.20 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.87 0.00 0.00 254 V 7.96 3.68 2.39 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 1.25 0.00 0.00 1.04 0.00 0.00 255 D 8.45 4.40 0.00 2.92 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 0.00 256 F 8.27 4.15 0.00 3.36 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 0.00 257 G 8.29 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 T 8.13 4.07 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 1.24 0.00 0.00 259 E 8.20 3.96 0.00 1.98 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 2.51 2.45 0.00 260 W 7.95 3.80 0.00 2.75 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 261 F 8.46 4.55 0.00 3.23 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 0.00 262 R 8.00 3.98 0.00 1.94 1.99 0.00 3.18 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 263 K 7.78 3.89 0.00 1.57 1.65 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.51 7.81 264 K 7.90 4.19 0.00 1.78 1.78 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.