NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4355 8.3044 120.3424 54.8554 33.4479 173.7975 2 K 4.0559 8.6606 121.3655 56.6423 32.1588 175.7151 3 M 4.4679 8.8522 126.5485 56.3605 33.2609 177.5521 4 K 3.8387 8.2490 120.3188 59.9352 32.1789 177.9494 5 E 4.0152 8.3488 117.8485 59.4025 29.4010 179.0978 6 F 4.2939 8.4455 120.0642 61.4325 39.5725 176.9342 7 L 3.7595 8.5204 119.0040 57.7699 41.3005 179.3334 8 D 4.2848 8.2671 118.8080 57.3635 40.6910 178.7579 9 L 3.9177 7.7596 119.4003 57.6498 41.3939 179.3189 10 L 3.7447 7.5178 119.3070 58.3443 42.0663 178.6256 11 N 4.4722 8.0919 114.9814 55.5332 38.5986 176.3696 12 E 4.3002 8.0692 117.9988 55.5324 30.2431 176.1077 13 S 4.4458 7.1128 115.2192 57.3138 63.4126 174.0109 14 R 4.0182 8.5953 127.8570 58.7269 30.3866 176.2891 15 L 4.6192 8.4649 120.8438 53.9467 45.4829 174.8748 16 T 5.1990 8.6482 122.7190 61.8852 71.5849 173.6452 17 V 4.8526 8.9005 118.6192 59.7606 36.0328 174.4681 18 T 5.0679 8.5284 116.8743 60.1863 71.1022 172.2742 19 L 5.2460 8.9699 129.3618 53.4519 44.8351 175.1282 20 T 5.0665 9.1783 116.8868 60.1151 72.1658 173.6310 21 G 4.2224 8.5897 109.8348 44.4015 0.0000 172.6668 22 A 4.1451 8.9703 121.1763 55.3856 18.3396 180.3267 23 G 3.6224 8.4626 102.0497 48.3168 0.0000 175.0228 24 I 3.9713 7.6389 119.2065 62.4592 38.3697 176.7035 25 S 4.7363 7.7031 114.2081 59.3287 64.0930 175.9266 26 T 4.5854 8.0120 114.6141 63.8837 68.1103 174.5284 27 P 4.4571 0.0000 0.0000 64.5432 31.4545 177.5177 28 S 4.6122 7.9002 112.8078 58.2741 63.0232 174.8169 29 G 3.8607 8.1294 110.4959 45.1155 0.0000 173.8235 30 I 4.2284 7.4100 121.4669 58.6806 37.1495 173.4884 31 P 4.4050 0.0000 0.0000 62.2089 31.8963 175.5054 32 D 4.4581 8.1721 120.1102 53.7756 42.4687 176.0997 33 F 4.7448 8.4574 128.3421 56.8982 40.0335 172.8820 *46 N 4.1806 8.2562 120.2836 53.5235 38.1657 174.9512 47 V 3.1590 7.6755 109.8382 64.3514 31.6402 177.0079 48 F 4.9909 7.9699 116.6755 57.4659 39.3757 174.5433 49 D 5.2405 8.4326 122.8517 53.5223 42.5252 177.2120 50 I 3.2803 8.8645 124.7657 64.1199 38.0024 178.0269 51 D 4.5040 8.1934 119.6367 56.3941 39.2734 178.2119 52 F 4.0831 8.2441 121.6497 60.8722 39.3078 176.6385 53 F 3.6899 8.1541 120.2496 61.5430 38.8337 176.8357 54 Y 4.0388 7.2770 114.7317 60.9071 37.6670 178.1633 55 S 4.1732 7.9203 115.6689 60.4659 64.5652 174.5380 56 H 4.9684 8.0317 117.5478 52.6184 29.1379 172.2203 57 P 3.8989 0.0000 0.0000 65.1156 31.5009 178.4177 58 E 4.3645 8.0054 118.1814 58.8648 29.3565 178.9325 59 E 4.0985 7.9784 119.0656 58.9350 29.6716 178.7674 60 F 4.2968 8.1432 120.8200 61.7401 39.4293 176.9214 61 Y 4.2343 8.4336 116.3092 60.5801 37.9355 178.3231 62 R 3.9479 8.1160 120.2045 59.2986 30.2354 178.3141 63 F 3.9686 8.4592 120.5165 61.1518 39.3786 176.7089 64 A 2.9018 7.5978 120.6310 54.8713 17.6632 179.5678 65 K 4.1810 7.3292 115.3071 59.0971 32.2030 178.2428 66 E 4.6317 7.2821 115.0438 55.9027 31.2409 177.3336 67 G 3.7474 7.6307 103.4575 44.0677 0.0000 173.0744 68 I 4.2604 6.4584 118.6773 62.7828 39.6928 177.6385 69 F 4.5592 7.9125 119.2234 60.4272 38.7154 176.0410 70 P 4.3387 0.0000 0.0000 65.4536 31.1091 178.3412 71 M 4.1921 8.2698 117.8977 58.1486 31.5422 178.5052 72 L 4.1190 7.9733 118.7299 57.6573 41.8011 178.9679 73 Q 4.1450 8.0339 116.6756 56.7985 29.1704 176.5455 74 A 4.0877 7.3803 123.0120 52.3349 18.9567 176.7711 75 K 4.6466 8.2347 121.1024 53.4720 34.5165 174.8104 76 P 4.2416 0.0000 0.0000 62.8242 31.9752 175.9763 77 N 4.9580 8.5645 118.1017 51.0575 41.1780 174.9466 78 L 3.8801 8.4935 120.0523 58.5911 41.7909 178.8875 79 A 3.9799 8.2839 120.4577 55.4187 18.4657 179.2763 80 H 4.1414 8.2780 114.2648 59.1023 28.8493 178.0531 81 V 3.6227 8.0608 120.1060 65.7910 31.3509 177.6489 82 L 3.9557 8.4067 120.5265 58.3232 41.8727 178.9768 83 L 4.0657 8.0727 118.5571 57.7788 41.5017 179.4477 84 A 4.0131 7.9329 120.4671 55.0641 18.3363 179.8612 85 K 4.1027 8.4805 117.4619 59.6580 32.1219 179.6294 86 L 4.0243 8.5621 119.6268 57.6146 41.4200 179.1427 87 E 4.1668 8.3047 120.7096 58.8918 29.3853 178.6290 88 E 3.9751 8.1056 117.3726 59.3221 29.6451 178.7778 89 K 4.3310 7.8921 115.3578 56.0268 32.2764 177.5360 90 G 3.9085 7.9609 107.5539 46.4435 0.0000 174.8508 91 L 4.3696 8.4698 119.9592 54.9907 41.9568 177.0914 92 I 4.7639 7.1996 111.8799 59.0689 40.5689 175.3659 93 E 4.1723 9.6790 125.8238 59.0185 30.3127 175.9362 94 A 4.6472 7.6005 118.1436 51.1406 23.1060 175.0878 95 V 4.5153 8.6451 119.6060 61.2728 34.0570 174.3638 96 I 4.7354 8.9698 129.5518 59.9544 39.2211 174.7476 97 T 5.0278 9.0944 121.5247 60.5529 70.4541 174.1068 98 Q 4.1519 9.0045 125.3981 56.5252 29.5628 175.9372 99 N 4.7794 8.1683 117.3263 52.7245 39.4985 175.3672 100 I 4.5733 8.5091 113.2238 59.9312 38.4635 176.6524 101 D 4.3839 8.0174 120.1853 54.2505 39.7911 176.7704 102 R 4.3361 8.0681 117.1371 56.5251 28.0120 177.9038 103 L 3.9757 8.5305 121.4770 57.8865 41.3422 179.1189 104 H 4.2232 8.0311 116.0186 59.0237 28.5975 177.6620 105 Q 4.2280 8.0468 119.3676 59.0240 28.4306 178.7469 106 R 4.0128 7.9306 117.7898 58.4570 30.1586 178.0536 107 A 4.3364 7.6226 118.9860 52.3056 18.9569 177.9544 108 G 4.0295 7.8332 105.0897 44.9004 0.0000 174.4108 109 S 4.4263 7.8966 116.7227 58.6160 63.2986 174.4280 110 K 4.1066 9.8007 124.9683 57.5145 32.6694 176.4124 111 K 4.4143 8.6249 121.8028 54.5972 33.1340 174.8507 112 V 4.7533 8.1463 126.2341 60.9516 34.3826 174.3702 113 I 4.2316 9.2241 130.0054 59.9889 38.4648 175.0313 114 E 4.7601 8.6193 128.3193 54.7825 29.1239 177.1945 115 L 3.9882 8.6183 126.0648 57.1297 42.1486 178.4287 116 H 4.7977 8.0279 114.2260 55.1769 29.5183 175.2259 117 G 3.7351 9.1189 108.2642 45.3410 0.0000 172.6579 118 N 4.9051 8.2075 116.3438 52.2377 40.1954 174.7896 119 V 4.1354 8.5382 111.9719 61.9586 32.0234 176.8767 120 E 4.6380 8.3420 120.3380 57.1358 31.3793 175.4650 121 E 5.1973 8.7066 119.5582 55.0905 31.9355 175.0051 122 Y 5.3800 9.3335 120.5716 56.9894 43.1459 173.6311 123 Y 5.5762 8.7853 117.7232 56.1042 42.1100 173.3534 124 C 4.7997 9.5089 122.8342 59.5485 32.0631 175.0880 125 V 3.8671 8.9896 120.7987 64.3936 30.9716 177.1365 126 R 4.1859 7.6449 119.7583 57.8830 30.3442 176.2156 127 C 4.3835 7.9632 110.6562 57.7153 30.6040 174.3940 128 E 4.3548 8.5729 118.6540 56.9520 27.3881 174.1050 129 K 3.9661 7.5684 121.0817 57.0606 33.0591 176.1427 130 K 4.8915 8.5593 126.7580 56.6741 32.9799 175.8962 131 Y 4.9737 9.5524 121.2243 56.5724 42.7828 174.7672 132 T 5.0831 9.1981 112.5423 60.4027 71.1948 176.2241 133 V 3.5528 8.7517 122.7662 65.1779 31.2480 178.4583 134 E 3.8220 8.1118 118.4478 58.7800 29.3506 178.7936 135 D 4.3142 7.9952 119.4341 57.2813 40.8781 178.9113 136 V 3.2767 7.5441 118.7232 65.8663 31.2206 178.0661 137 I 3.2707 7.2993 118.8156 64.0071 37.2078 178.0012 138 K 3.9852 7.9668 120.4127 59.5067 32.1755 179.1235 139 K 3.9583 7.9239 118.7370 59.1713 31.7353 178.7582 140 L 4.9610 7.8294 118.6003 55.7521 41.5866 178.3525 141 E 4.2458 7.7482 118.4325 57.6093 29.6682 177.1059 142 S 4.6794 7.6754 110.2413 57.5897 64.3348 173.5937 143 S 4.6024 7.4242 114.8724 57.1067 64.7682 173.9850 144 D 4.6542 8.6023 123.9169 54.7197 39.9750 176.3995 145 V 4.3690 7.3443 112.8457 58.8735 35.8743 172.6174 146 P 4.2915 0.0000 0.0000 62.5469 32.2972 175.0149 147 L 5.1321 8.1021 123.8968 52.4658 44.5613 175.9506 148 C 4.3410 9.2490 123.5748 59.8933 32.3773 174.1093 149 D 4.7054 9.7701 124.4534 55.6440 41.1870 177.2975 150 D 4.6944 8.2956 118.6123 55.9079 42.0483 177.0009 151 C 4.6875 7.7015 110.0161 56.9250 30.4691 173.8117 152 N 4.8338 8.2748 115.5328 54.0886 37.1479 173.7377 153 S 4.5940 7.4038 111.9596 57.2269 64.9625 173.1206 154 L 4.4740 8.4105 123.2622 55.5131 42.9494 175.4776 155 I 4.9026 8.7820 128.1754 60.3495 38.2579 175.3806 156 R 5.4203 9.3878 123.0302 52.4204 32.9086 173.2273 157 P 3.3858 0.0000 0.0000 61.7029 32.3523 176.0237 158 N 5.0760 8.5495 122.3587 53.4346 37.1012 174.0353 159 I 4.7923 7.0836 112.2066 58.9426 41.2675 176.9616 160 V 4.0830 8.4262 125.2070 62.5179 31.8497 175.8059 161 F 4.4578 9.6243 127.5553 56.2462 40.9098 175.6226 162 F 4.2735 9.3236 120.6198 59.3022 39.1589 176.9262 163 G 4.0745 9.3393 113.1928 45.1474 0.0000 173.0676 164 E 4.7317 7.6308 118.4393 54.4360 31.5329 175.5258 165 N 4.5866 8.4540 118.7905 52.9884 39.3303 175.5913 166 L 4.2879 8.2506 122.3999 53.2496 42.7567 175.6088 167 P 4.3008 0.0000 0.0000 63.0858 32.0810 176.5783 168 Q 3.9824 8.8847 122.6174 59.1832 28.6989 178.6327 169 D 4.3499 8.1895 118.8716 56.7885 39.1178 178.4148 170 A 3.9227 7.8898 122.2602 54.3067 18.4590 179.1314 171 L 3.8766 8.0780 118.9225 58.4652 42.1036 179.4475 172 R 3.9533 8.3447 118.4044 59.1593 29.9805 178.7045 173 E 3.9143 8.4879 119.1712 59.0034 29.5399 178.6936 174 A 3.9575 8.3812 121.3488 55.2264 18.4101 179.6987 175 I 3.7299 8.2232 118.8921 64.3110 37.1525 178.8845 176 G 3.6023 8.3950 106.9193 47.9278 0.0000 175.7477 177 L 4.0146 8.4187 122.2809 57.5095 41.6685 179.8733 178 S 4.1486 8.4550 115.8013 61.5312 62.5195 176.8892 179 S 4.1971 8.1294 116.2366 61.1144 62.9527 176.1855 180 R 4.1441 7.8332 120.0734 56.6488 30.4265 176.9411 181 A 4.2731 7.4596 122.5317 52.2395 19.0157 177.5154 182 S 4.5048 9.1005 117.4400 59.7350 64.9181 173.8678 183 L 5.1004 7.7079 122.6252 53.6243 45.6257 174.0495 184 M 5.0977 9.3384 126.4598 53.7923 35.0204 174.1547 185 I 4.9650 8.8004 127.1081 59.6278 40.1978 174.6065 186 V 4.4877 9.0939 128.6090 61.6886 33.2447 174.6451 187 L 4.7110 8.9855 127.8763 53.3573 44.7013 176.9979 188 G 4.0502 9.4370 112.7662 46.3372 0.0000 171.7089 189 S 4.9084 7.8121 113.2437 56.0242 64.2887 174.1277 190 S 4.3123 8.7331 120.7562 58.3137 63.7100 173.5340 191 L 3.6064 7.6419 120.3082 56.8684 39.0960 175.1145 192 V 4.4637 7.7782 107.6197 60.8401 33.7815 176.0878 193 V 4.4542 7.6382 121.0927 61.4300 32.4811 174.2451 194 Y 4.8221 8.7148 124.9115 55.9851 39.8975 173.9152 195 P 4.6894 0.0000 0.0000 63.3231 32.3695 177.7121 196 A 3.8709 8.1443 122.0468 55.6709 17.8798 179.2890 197 A 3.6306 7.7367 118.3120 54.9409 18.5228 178.8510 198 E 3.9534 7.7977 115.1775 57.0547 29.8399 178.5964 199 L 3.8938 7.6164 120.5020 57.3698 41.6922 177.4598 200 P 4.1504 0.0000 0.0000 65.3485 31.2138 178.3306 201 L 3.9082 7.4159 118.6642 58.1502 42.0345 178.9369 202 I 3.7095 7.7125 119.7431 64.5781 36.9533 178.5262 203 T 4.3041 7.8266 117.7922 66.1528 68.3362 176.8590 204 V 4.1530 7.7458 121.3482 65.7882 31.3837 178.3479 205 R 4.0111 8.2405 116.7425 59.0887 29.9573 178.6012 206 S 4.4057 7.8716 113.2244 58.6188 63.1344 174.5285 207 G 3.9070 7.5464 108.4295 45.0645 0.0000 174.2447 208 G 4.0166 8.5916 108.7508 45.4511 0.0000 172.9055 209 K 4.9923 9.0623 119.1262 54.5625 35.1365 175.6289 210 L 5.2268 8.3613 123.6418 53.2999 45.2879 174.9983 211 V 4.9809 9.1138 126.0871 61.1679 34.6058 173.9631 212 I 4.7679 8.9740 128.6963 59.4227 40.2859 174.5809 213 V 4.5589 8.7691 127.3118 61.4308 33.3479 173.7579 214 N 4.8413 8.7527 125.4736 52.5161 42.9304 173.6204 215 L 4.3938 8.6036 128.8247 54.3832 40.8958 174.5005 216 G 4.1813 8.2107 108.7827 42.2929 0.0000 171.4230 217 E 4.3521 8.3286 120.3789 56.0946 30.7492 176.0967 218 T 4.7677 8.8583 109.4271 59.1114 71.7701 173.3051 219 P 4.2560 0.0000 0.0000 64.5314 31.7402 177.3150 220 F 5.0246 7.8690 115.8416 56.4060 39.4860 177.2080 221 D 4.4788 8.0682 124.1777 57.2800 40.4899 178.5987 222 D 4.3794 8.2626 118.7514 55.7503 39.3670 177.5044 223 I 4.2400 7.5707 109.9913 60.3252 38.2076 175.3458 224 A 4.4128 7.6399 125.5777 52.3105 19.0442 177.9170 225 T 4.1869 9.0477 120.9136 65.9639 69.3389 175.4188 226 L 4.7787 7.8975 120.0475 52.6001 45.9482 175.5795 227 K 4.8481 8.4681 123.8420 54.8829 34.9024 174.8027 228 Y 4.2747 9.2896 126.3683 56.4655 39.5078 174.2870 229 N 5.9050 8.8979 124.5909 51.6190 37.8809 173.3938 230 M 4.6753 7.8871 119.5591 53.5473 34.5848 174.1561 231 D 4.3887 8.6328 119.0556 54.4550 42.0872 177.3886 232 V 3.6241 8.4902 125.2763 66.1550 31.4809 178.4817 233 V 3.5849 7.8372 117.6045 65.8938 31.4157 177.4778 234 E 3.9040 8.8064 119.4465 59.0220 29.3680 178.5784 235 F 3.9463 8.3007 120.5742 61.1668 39.3956 176.9012 236 A 3.7385 8.3359 120.7612 55.0862 18.0662 179.5367 237 R 3.7456 8.1869 117.4298 59.6973 30.1648 179.0242 238 R 3.8102 7.9557 117.9016 59.0152 29.9305 179.2358 239 V 3.3543 7.4840 118.4248 66.1738 31.4065 178.0559 240 M 3.9746 8.0877 118.6312 58.1721 31.7234 178.3532 241 E 3.8603 8.3643 119.7105 59.5454 29.7202 178.7443 242 E 4.2827 8.6130 117.0610 58.2898 29.7409 178.4400 243 G 3.9134 8.5586 104.2125 43.7905 0.0000 173.8169 244 G 3.8919 7.4428 107.1316 46.5143 0.0000 173.6757 245 I 4.0726 7.9856 121.0908 60.6305 38.0392 176.5463 246 S 4.0429 8.7532 120.5221 59.1401 62.8848 172.1651 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 8.30 4.44 0.00 2.23 2.51 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 2 K 8.66 4.06 0.00 1.86 1.84 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.59 7.81 3 M 8.85 4.47 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 4 K 8.25 3.84 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.60 7.81 5 E 8.35 4.02 0.00 2.23 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 2.46 2.45 0.00 6 F 8.45 4.29 0.00 3.45 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.52 3.76 0.00 1.82 1.67 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.27 4.28 0.00 2.85 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 9 L 7.76 3.92 0.00 1.75 1.66 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.52 3.74 0.00 0.85 1.49 0.90 0.86 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 11 N 8.09 4.47 0.00 2.72 2.82 0.00 0.00 7.10 8.48 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 12 E 8.07 4.30 0.00 1.92 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 2.28 2.45 0.00 13 S 7.11 4.45 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.60 4.02 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 15 L 8.46 4.62 0.00 1.68 1.43 0.91 0.82 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 16 T 8.65 5.20 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 17 V 8.90 4.85 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 0.72 0.00 0.00 0.91 0.00 0.00 18 T 8.53 5.07 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 1.26 0.00 0.00 19 L 8.97 5.25 0.00 1.67 1.40 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 20 T 9.18 5.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 21 G 8.59 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.97 4.15 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 23 G 8.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.64 3.97 1.83 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 1.15 0.75 1.00 0.00 0.00 25 S 7.70 4.74 0.00 3.91 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 26 T 8.01 4.59 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 1.23 0.00 0.00 27 P 0.00 4.46 0.00 2.04 2.15 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 2.01 2.25 0.00 28 S 7.90 4.61 0.00 4.02 3.98 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 49 D 8.43 5.24 0.00 2.99 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 50 I 8.86 3.28 2.02 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.31 1.06 0.00 0.00 51 D 8.19 4.50 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.24 4.08 0.00 3.21 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 53 F 8.15 3.69 0.00 2.15 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 0.00 0.00 0.00 54 Y 7.28 4.04 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.92 4.17 0.00 3.59 3.51 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 56 H 8.03 4.97 0.00 2.08 2.81 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.90 0.00 2.15 1.66 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.69 0.00 58 E 8.01 4.36 0.00 2.27 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 2.38 2.22 0.00 59 E 7.98 4.10 0.00 2.09 2.29 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 2.38 2.29 0.00 60 F 8.14 4.30 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 61 Y 8.43 4.23 0.00 3.20 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 62 R 8.12 3.95 0.00 2.13 2.18 0.00 3.32 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 63 F 8.46 3.97 0.00 3.03 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 64 A 7.60 2.90 0.28 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 65 K 7.33 4.18 0.00 1.91 1.97 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.74 1.88 7.81 66 E 7.28 4.63 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 67 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 68 I 6.46 4.26 1.24 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.17 0.91 0.00 0.00 69 F 7.91 4.56 0.00 2.99 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 70 P 0.00 4.34 0.00 2.18 2.14 0.00 3.57 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 71 M 8.27 4.19 0.00 2.13 2.41 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.70 0.00 72 L 7.97 4.12 0.00 1.73 1.79 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.03 4.15 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 74 A 7.38 4.09 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 75 K 8.23 4.65 0.00 1.74 1.72 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.55 7.81 76 P 0.00 4.24 0.00 2.18 2.16 0.00 3.72 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 1.98 2.03 0.00 77 N 8.56 4.96 0.00 3.01 3.03 0.00 0.00 5.73 6.67 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 78 L 8.49 3.88 0.00 1.77 1.72 0.91 1.04 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 79 A 8.28 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.28 4.14 0.00 3.38 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.06 3.62 2.23 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 0.99 0.00 0.00 1.01 0.00 0.00 82 L 8.41 3.96 0.00 1.82 1.88 0.92 0.66 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 83 L 8.07 4.07 0.00 2.00 1.74 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.93 4.01 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 85 K 8.48 4.10 0.00 1.96 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 86 L 8.56 4.02 0.00 1.81 1.74 1.03 0.80 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 87 E 8.30 4.17 0.00 2.12 2.15 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 2.31 2.21 0.00 88 E 8.11 3.98 0.00 2.20 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 2.35 2.58 0.00 89 K 7.89 4.33 0.00 1.88 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 90 G 7.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.20 2.40 0.00 99 N 8.17 4.78 0.00 2.65 2.91 0.00 0.00 6.81 6.95 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 0.00 100 I 8.51 4.57 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.78 0.85 0.00 0.00 101 D 8.02 4.38 0.00 2.81 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 0.00 102 R 8.07 4.34 0.00 2.05 2.06 0.00 3.69 0.00 0.00 3.49 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 103 L 8.53 3.98 0.00 1.44 1.15 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.03 4.22 0.00 3.19 3.36 0.00 5.62 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 0.00 105 Q 8.05 4.23 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 106 R 7.93 4.01 0.00 1.90 1.98 0.00 3.14 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 107 A 7.62 4.34 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 0.00 108 G 7.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.90 4.43 0.00 3.99 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 0.00 110 K 9.80 4.11 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.37 7.81 111 K 8.62 4.41 0.00 1.83 1.74 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.38 7.81 112 V 8.15 4.75 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 0.88 0.00 0.00 0.94 0.00 0.00 113 I 9.22 4.23 1.83 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 1.20 0.47 0.90 0.00 0.00 114 E 8.62 4.76 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 115 L 8.62 3.99 0.00 1.41 1.57 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.03 4.80 0.00 3.15 3.00 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.12 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.21 4.91 0.00 2.80 3.04 0.00 0.00 6.88 7.26 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 0.00 119 V 8.54 4.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.05 0.00 0.00 120 E 8.34 4.64 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 121 E 8.71 5.20 0.00 2.05 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 2.34 2.35 0.00 122 Y 9.33 5.38 0.00 3.18 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 0.00 123 Y 8.79 5.58 0.00 3.39 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 0.00 124 C 9.51 4.80 0.00 3.31 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.99 3.87 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.10 0.00 0.00 126 R 7.64 4.19 0.00 1.81 1.94 0.00 3.31 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 127 C 7.96 4.38 0.00 3.19 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 0.00 128 E 8.57 4.35 0.00 2.19 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 2.22 2.31 0.00 129 K 7.57 3.97 0.00 1.93 1.87 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.93 1.28 7.81 130 K 8.56 4.89 0.00 1.65 1.76 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.49 7.81 131 Y 9.55 4.97 0.00 2.98 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 0.00 132 T 9.20 5.08 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 1.32 0.00 0.00 133 V 8.75 3.55 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.18 0.00 0.00 134 E 8.11 3.82 0.00 2.01 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 2.33 2.38 0.00 135 D 8.00 4.31 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.54 3.28 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 0.70 0.00 0.00 0.29 0.00 0.00 137 I 7.30 3.27 1.66 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.64 0.00 0.00 138 K 7.97 3.99 0.00 1.90 1.95 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 139 K 7.92 3.96 0.00 1.77 1.66 0.00 1.35 0.00 0.00 1.36 0.00 0.00 2.77 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.33 1.50 7.81 140 L 7.83 4.96 0.00 1.65 1.72 1.17 0.69 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 0.00 141 E 7.75 4.25 0.00 2.01 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 2.28 2.57 0.00 142 S 7.68 4.68 0.00 3.93 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 0.00 143 S 7.42 4.60 0.00 3.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.60 4.65 0.00 2.89 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 0.00 145 V 7.34 4.37 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 0.78 0.00 0.00 0.90 0.00 0.00 146 P 0.00 4.29 0.00 1.79 1.78 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.24 0.00 147 L 8.10 5.13 0.00 1.46 1.68 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 148 C 9.25 4.34 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 9.77 4.71 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 0.00 150 D 8.30 4.69 0.00 2.72 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 0.00 151 C 7.70 4.69 0.00 3.08 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 0.00 152 N 8.27 4.83 0.00 2.86 2.92 0.00 0.00 7.40 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.40 4.59 0.00 3.97 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 0.00 154 L 8.41 4.47 0.00 1.81 1.63 1.00 0.78 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 0.00 155 I 8.78 4.90 1.89 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 1.04 0.00 0.00 156 R 9.39 5.42 0.00 1.26 2.18 0.00 2.98 0.00 0.00 3.15 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 157 P 0.00 3.39 0.00 1.72 1.63 0.00 2.97 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 158 N 8.55 5.08 0.00 3.10 2.87 0.00 0.00 6.82 7.96 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 0.00 159 I 7.08 4.79 1.58 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.03 0.81 0.00 0.00 160 V 8.43 4.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.95 0.00 0.00 161 F 9.62 4.46 0.00 2.97 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 0.00 162 F 9.32 4.27 0.00 3.41 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 0.00 163 G 9.34 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 7.63 4.73 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 165 N 8.45 4.59 0.00 2.73 2.77 0.00 0.00 7.00 7.85 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 0.00 166 L 8.25 4.29 0.00 1.63 1.60 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.30 0.00 2.51 2.19 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 168 Q 8.88 3.98 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 169 D 8.19 4.35 0.00 2.88 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 0.00 170 A 7.89 3.92 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 0.00 171 L 8.08 3.88 0.00 1.80 1.72 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.34 3.95 0.00 1.92 1.95 0.00 3.18 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 1.80 0.00 173 E 8.49 3.91 0.00 2.08 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 2.29 2.31 0.00 174 A 8.38 3.96 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 0.00 175 I 8.22 3.73 2.00 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 0.71 0.90 0.00 0.00 176 G 8.40 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.01 0.00 1.81 1.71 0.90 0.89 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 0.00 178 S 8.46 4.15 0.00 3.95 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 0.00 179 S 8.13 4.20 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 7.83 4.14 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 181 A 7.46 4.27 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 0.00 182 S 9.10 4.50 0.00 3.87 4.12 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 0.00 183 L 7.71 5.10 0.00 1.72 1.48 1.00 0.76 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 0.00 184 M 9.34 5.10 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 185 I 8.80 4.97 1.95 0.00 0.00 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 1.41 0.79 0.96 0.00 0.00 186 V 9.09 4.49 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 0.89 0.00 0.00 0.86 0.00 0.00 187 L 8.99 4.71 0.00 1.50 1.47 0.95 0.48 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 0.00 188 G 9.44 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.81 4.91 0.00 3.85 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 0.00 190 S 8.73 4.31 0.00 4.04 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 0.00 191 L 7.64 3.61 0.00 2.05 1.92 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.78 4.46 2.20 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 0.78 0.00 0.00 1.00 0.00 0.00 193 V 7.64 4.45 2.15 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 1.19 0.00 0.00 1.15 0.00 0.00 194 Y 8.71 4.82 0.00 3.04 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 0.00 195 P 0.00 4.69 0.00 2.26 2.38 0.00 3.78 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 2.00 0.00 196 A 8.14 3.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.74 3.63 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 7.80 3.95 0.00 2.18 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 2.52 2.58 0.00 199 L 7.62 3.89 0.00 1.63 1.62 0.84 0.83 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 0.00 200 P 0.00 4.15 0.00 1.77 1.95 0.00 3.27 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 201 L 7.42 3.91 0.00 1.54 1.79 1.05 1.27 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 0.00 202 I 7.71 3.71 2.01 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 1.51 0.85 0.92 0.00 0.00 203 T 7.83 4.30 4.36 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 1.26 0.00 0.00 204 V 7.75 4.15 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 1.44 0.00 0.00 1.00 0.00 0.00 205 R 8.24 4.01 0.00 1.85 1.99 0.00 3.40 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 206 S 7.87 4.41 0.00 4.00 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 0.00 207 G 7.55 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 G 8.59 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 0.00 209 K 9.06 4.99 0.00 1.68 1.74 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 210 L 8.36 5.23 0.00 1.73 1.49 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 211 V 9.11 4.98 2.28 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 1.14 0.00 0.00 1.21 0.00 0.00 212 I 8.97 4.77 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.89 0.00 0.00 213 V 8.77 4.56 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 0.37 0.00 0.00 -0.68 0.00 0.00 214 N 8.75 4.84 0.00 2.82 2.56 0.00 0.00 6.48 6.28 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 0.00 215 L 8.60 4.39 0.00 1.67 1.58 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.21 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 0.00 217 E 8.33 4.35 0.00 2.20 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 2.27 2.29 0.00 218 T 8.86 4.77 4.50 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 1.28 0.00 0.00 219 P 0.00 4.26 0.00 1.48 1.89 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 220 F 7.87 5.02 0.00 3.10 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 0.00 221 D 8.07 4.48 0.00 2.73 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 0.00 222 D 8.26 4.38 0.00 2.82 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 I 7.57 4.24 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 1.00 0.00 0.00 224 A 7.64 4.41 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 T 9.05 4.19 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 226 L 7.90 4.78 0.00 1.73 1.52 1.26 0.81 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 0.00 227 K 8.47 4.85 0.00 1.65 1.56 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.43 7.81 228 Y 9.29 4.27 0.00 2.58 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 N 8.90 5.91 0.00 2.72 2.75 0.00 0.00 7.17 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 0.00 230 M 7.89 4.68 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 231 D 8.63 4.39 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 V 8.49 3.62 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 1.05 0.00 0.00 0.88 0.00 0.00 233 V 7.84 3.58 2.28 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 1.06 0.00 0.00 0.96 0.00 0.00 234 E 8.81 3.90 0.00 2.12 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 0.00 2.33 2.38 0.00 235 F 8.30 3.95 0.00 3.05 3.14 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 0.00 0.00 0.00 0.00 236 A 8.34 3.74 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 0.00 237 R 8.19 3.75 0.00 1.93 2.05 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 238 R 7.96 3.81 0.00 1.75 1.80 0.00 3.30 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 239 V 7.48 3.35 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 -0.17 0.00 0.00 240 M 8.09 3.97 0.00 2.24 2.16 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 2.78 2.51 0.00 241 E 8.36 3.86 0.00 2.21 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 2.28 2.37 0.00 242 E 8.61 4.28 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 243 G 8.56 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 G 7.44 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 0.00 0.00 0.00 245 I 7.99 4.07 1.85 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 1.29 0.64 0.90 0.00 0.00 246 S 8.75 4.04 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.