NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 V 4.1476 8.0549 120.4040 61.7196 32.2164 175.1258 25 P 4.2081 0.0000 0.0000 62.0885 31.7598 175.4515 26 N 5.2056 9.2312 123.3335 53.0469 40.3972 173.7537 27 E 4.2869 8.1347 116.9765 54.7133 30.3573 175.5336 28 P 4.3732 0.0000 0.0000 63.5245 32.2953 175.9105 29 I 4.3794 8.7693 123.7679 59.5632 41.3101 173.7734 30 N 5.3198 8.5163 124.2459 51.0595 39.9081 174.7438 31 W 4.0872 9.5494 135.0000 57.7348 31.2426 175.3284 32 G 3.6015 6.2288 114.0071 44.7720 0.0000 171.6906 33 F 4.1773 6.7622 112.7329 55.7674 39.3345 173.3963 34 K 4.0206 8.6527 123.4877 55.7275 32.4305 177.0162 35 R 4.2832 8.5426 125.4114 56.2988 30.6984 176.1653 36 S 4.2791 8.6192 114.3945 58.3447 63.2652 173.6727 37 V 4.3520 7.8276 125.5815 62.1979 34.2281 175.0156 38 N 4.1015 9.5043 120.6704 54.1335 36.0447 173.9054 39 H 4.7351 7.9951 111.6236 56.9069 25.9889 174.4211 40 Q 4.7183 7.8485 117.2853 53.2623 30.4926 174.2489 41 P 4.1167 0.0000 0.0000 62.2440 31.8159 174.8941 42 P 4.6391 0.0000 0.0000 62.2541 32.2849 175.0012 43 D 4.8650 8.2477 117.3564 52.9949 43.7783 174.7409 44 A 3.8827 8.9959 128.5635 52.2107 19.0930 177.2679 45 G 4.0299 9.5755 107.1838 45.4816 0.0000 174.9931 46 K 4.1392 8.5581 120.7299 57.8807 32.3275 178.8590 47 Q 3.9179 8.0782 120.8577 59.3489 29.1409 177.5643 48 L 4.0944 7.8076 119.1999 57.3351 41.9937 178.7294 49 N 4.5364 8.6182 117.0485 56.5784 38.4025 177.4258 50 S 4.1478 8.0218 116.4630 61.5693 63.1217 176.3071 51 L 4.1340 7.7217 122.5612 58.3353 41.8377 178.8142 52 I 3.9392 8.6868 118.9039 64.4763 37.9936 177.8542 53 E 4.1025 8.3252 118.8084 59.0852 29.0518 179.1685 54 K 3.7824 8.1341 119.2984 58.7044 32.0798 176.8282 55 Y 4.5279 7.2250 112.6874 57.2610 38.3590 175.3745 56 D 4.4727 8.3185 116.9783 55.1047 39.1087 173.9899 57 A 4.4018 7.9990 121.8933 51.9719 19.3615 177.4847 58 F 5.0990 7.6165 113.3412 55.8019 40.9502 174.5975 59 Y 4.7214 8.4088 116.5302 56.1708 39.1528 174.9720 60 L 4.8787 7.5519 119.2170 52.6594 45.4600 177.2579 61 G 3.6866 9.0411 110.2322 46.3412 0.0000 175.7946 62 N 4.8292 9.4650 126.0885 52.8995 38.7772 175.9665 63 T 4.3613 8.4436 114.8372 62.1460 69.1998 175.4086 64 K 4.3586 8.5630 121.7997 56.7923 32.5948 175.8327 65 E 4.6550 7.6553 116.3602 53.9449 33.0035 176.6173 66 K 4.2529 8.1424 120.7811 55.8955 30.2848 175.7929 67 T 5.0271 7.6780 118.4081 61.5516 73.0358 173.8182 68 I 4.6860 7.7166 124.0046 59.5086 41.6836 174.0021 69 Y 5.2357 8.9155 123.0938 55.3358 40.6626 174.7027 70 L 4.7262 8.5837 125.2546 54.0146 43.3037 176.0805 71 T 4.8833 8.7248 113.6309 59.8616 72.5579 172.8479 72 F 5.5179 9.1168 120.5392 54.7694 43.5691 173.4063 73 D 5.3386 8.6203 121.0628 52.6341 43.0516 175.3110 74 N 4.5054 9.5119 121.5004 51.6587 40.5532 175.1754 75 G 3.9682 8.6133 113.2610 46.5964 0.0000 171.8321 76 Y 5.0871 7.2571 114.8458 56.1530 40.5903 172.8658 77 E 4.7500 8.8509 120.9600 54.7835 31.3431 174.7331 78 N 4.9072 8.9314 121.5797 53.2461 39.9416 174.7552 79 G 3.7594 8.6657 103.8013 45.4736 0.0000 174.3207 80 Y 4.7927 7.4526 115.7810 58.2384 39.4174 177.4590 81 T 3.8927 8.0531 117.2520 66.2765 68.5344 174.2992 82 P 4.2242 0.0000 0.0000 65.6417 31.3391 178.7895 83 K 4.1839 8.0500 116.7498 59.3930 32.0421 179.3798 84 V 3.6483 7.9696 118.6519 66.0966 31.4448 178.1523 85 L 3.9968 8.3049 119.0850 57.7700 41.4010 179.2558 86 D 4.3860 8.0553 119.1103 57.0926 40.7568 178.9343 87 V 3.5976 8.2434 119.2576 65.9522 31.5060 178.0141 88 L 4.0154 8.0600 118.7290 57.6642 41.4208 179.2450 89 K 3.8554 8.1266 119.4204 59.5309 31.8999 178.2606 90 K 3.7988 8.1924 118.5784 59.9325 32.1096 177.4060 91 H 4.5756 8.0402 112.4965 54.4790 29.4146 175.3058 92 R 3.7594 7.8963 119.3166 57.5929 28.1550 176.0791 93 V 4.5084 7.9381 115.5409 61.4749 34.3417 175.2869 94 T 4.6336 8.6409 123.4419 62.2913 69.5853 174.5969 95 G 4.1161 9.1772 113.8087 45.2954 0.0000 172.3363 96 T 4.9635 8.1145 116.9000 61.6914 71.4928 173.3901 97 F 5.0177 9.1758 127.1422 56.0107 40.9381 175.5122 98 F 4.8710 9.7490 125.3788 56.6040 39.8916 175.5492 99 V 4.9619 8.4940 117.4084 59.8177 34.9276 175.7555 100 T 5.2940 7.6580 113.5269 59.5857 71.4610 176.0478 101 G 2.3203 8.4275 108.1947 47.7784 0.0000 175.3887 102 H 3.9967 7.8379 120.4258 58.7208 29.8522 176.9347 103 F 3.9753 8.0676 122.2302 61.1978 39.0429 177.2408 104 V 3.5561 7.6147 116.5322 66.1279 31.4498 177.9313 105 K 4.0611 7.7587 116.7745 59.1337 31.9005 178.3052 106 D 4.4282 7.7031 117.1465 55.1338 42.7683 176.2473 107 Q 4.4167 7.6143 117.3327 52.9594 29.3305 174.0057 108 P 4.1831 0.0000 0.0000 66.0421 31.8753 178.6822 109 Q 3.9625 7.8847 116.0521 58.7890 28.5944 178.6654 110 L 3.9118 7.6803 119.6964 57.5556 41.7913 179.1664 111 I 3.6697 7.6723 119.8281 64.4399 37.1343 178.3406 112 K 3.9110 8.3090 120.5991 59.5499 31.9578 179.0303 113 R 3.9119 8.1016 118.5182 59.3073 29.9622 178.6622 114 M 3.8956 8.2382 118.9792 58.5362 31.8400 178.8792 115 S 4.0731 7.9377 112.7195 61.6408 62.4467 175.8452 116 D 4.4172 8.3534 120.4671 57.0550 40.5187 177.5287 117 E 4.4976 8.5310 117.5421 56.1606 29.9415 177.3768 118 G 3.8075 7.6559 105.9414 46.0818 0.0000 173.8601 119 H 4.9246 7.9322 117.0370 54.8346 30.8448 174.2795 120 I 4.7456 8.8362 119.8162 59.8658 39.8578 175.2459 121 I 4.7164 9.1298 128.0675 59.8710 38.6639 175.9887 122 G 3.6437 8.7953 115.4489 44.9492 0.0000 171.1122 123 N 5.3586 9.5652 119.0159 51.8837 40.6543 174.3530 124 H 5.5262 9.0728 125.6640 54.7818 31.1118 172.6008 125 S 4.3623 9.0268 113.4142 57.1892 64.3430 171.3418 126 F 3.8368 8.9292 124.2160 61.7162 39.1680 176.6084 127 H 4.8078 8.9658 114.3864 55.0854 29.0250 174.3933 128 H 4.4409 8.3287 117.4188 55.5383 27.9150 172.5204 129 P 4.5266 0.0000 0.0000 61.2597 32.9817 174.7744 130 D 4.5455 8.3625 117.7483 53.2837 40.7431 176.6414 131 L 4.1388 8.5321 128.2318 57.5912 41.8260 178.8984 132 T 4.4540 8.7009 107.8796 62.3219 68.7243 174.9922 133 T 4.5546 7.8977 110.5241 61.3477 69.2601 173.7552 134 K 4.9388 7.8083 121.1109 55.0419 34.9528 176.3401 135 T 4.5540 9.2656 112.6255 60.6908 71.4402 175.9169 136 A 3.9521 8.4315 125.4906 55.6867 18.2826 179.8723 137 D 4.2590 8.1234 115.6715 57.6169 41.3615 178.2882 138 Q 3.9749 7.8572 117.8806 59.0980 28.8007 178.5931 139 I 3.6721 8.3186 121.1137 64.7156 37.1778 178.0156 140 Q 3.9738 8.2896 120.1194 59.3037 28.7734 178.0247 141 D 4.2863 7.9400 118.7490 57.4076 41.3327 177.7026 142 E 4.0342 8.4885 119.5009 59.5621 29.3333 179.5309 143 L 4.0308 7.8729 118.3967 57.6839 41.9917 178.7482 144 D 4.4580 8.5760 118.6388 57.4073 41.2099 178.2737 145 S 4.1795 8.4873 115.1839 61.4559 62.7131 176.8707 146 V 3.8047 7.8635 121.6928 66.1243 31.4439 177.7254 147 N 4.4476 8.3443 115.7473 56.2171 38.3908 176.5724 148 E 3.9394 8.7209 121.1684 59.6298 29.6093 178.7423 149 E 4.0621 8.2869 118.8513 59.1423 29.6166 178.9477 150 V 3.6245 8.0217 118.4726 66.1909 31.6894 177.3883 151 Y 3.9947 8.7174 119.6802 60.5413 38.3632 177.8156 152 K 4.0455 7.9888 119.8246 59.5901 32.3047 178.5184 153 I 3.9300 7.4005 119.0143 63.9488 37.3722 177.6092 154 T 4.3078 8.4697 108.3651 60.7406 69.6113 175.8524 155 G 3.1160 7.8675 109.0056 45.3006 0.0000 172.6527 156 K 4.7063 7.2967 117.3663 54.6809 35.9552 175.5503 157 Q 4.4461 8.2250 119.7108 55.4332 31.2921 173.7786 158 D 4.7407 8.5803 125.6241 53.2961 42.0533 175.6169 159 N 4.2129 8.3493 117.4333 53.3125 39.0616 175.4951 160 L 4.0225 7.9182 121.3246 55.0729 42.0249 175.3166 161 Y 5.5557 8.5907 121.7118 56.0163 41.7128 174.6820 162 L 5.1887 9.5134 125.0618 53.2688 46.1385 175.0885 163 R 4.3263 8.7870 125.7955 53.4492 32.5481 172.9819 164 P 4.2824 0.0000 0.0000 62.1642 32.2260 174.6689 165 P 4.2582 0.0000 0.0000 63.7438 31.7500 176.7282 166 R 3.6179 9.5020 117.7264 56.4881 28.2942 177.1205 167 G 4.3677 8.2166 105.1599 46.1355 0.0000 173.0665 168 V 4.9342 7.9058 120.1000 61.7848 32.7533 175.1651 169 F 5.1997 9.3062 122.2460 56.4357 41.9971 172.5501 170 S 4.6218 8.5757 111.6878 56.2030 65.9756 174.9897 171 E 3.7864 8.9928 120.2268 59.3848 29.2509 177.8860 172 Y 4.1052 8.2099 119.6484 60.7593 38.8165 178.3214 173 V 3.0983 7.7338 118.8669 65.8298 31.5551 177.7573 174 L 3.8022 7.9141 118.6593 57.6260 41.4863 179.1622 175 K 3.8206 7.5101 119.6288 59.7589 31.9556 178.3100 176 E 3.8574 8.3419 119.8232 59.4409 29.4235 178.8603 177 T 3.9405 8.1472 110.2727 64.4876 68.8792 176.6607 178 K 4.2627 8.3251 124.2574 58.8000 31.9953 178.8060 179 R 4.0347 7.7803 118.2523 58.7892 30.1000 177.5655 180 L 4.3891 7.4594 116.7709 55.0146 41.9920 177.5301 181 G 3.8812 7.9948 107.8256 44.9476 0.0000 173.1628 182 Y 4.4826 8.2638 118.2062 57.2345 39.9381 174.4693 183 Q 4.6045 9.0658 125.3402 54.9937 30.9038 174.5499 184 T 4.4093 8.3490 124.4835 62.9879 69.8349 173.8098 185 V 3.5959 8.0834 127.3775 60.8737 32.9275 174.9276 186 F 4.7793 7.9695 130.0712 56.4196 41.1671 174.3378 187 W 5.2777 7.3875 119.6885 56.7346 30.8441 174.2294 188 S 4.1648 9.3314 110.6399 57.5215 64.1473 174.2637 189 V 4.8953 8.1025 120.9041 61.7810 34.4108 173.4384 190 A 4.9790 9.0310 127.9667 51.6389 22.3357 174.2883 191 F 4.6068 7.6301 113.0383 56.1903 40.1503 174.8308 192 V 3.6442 8.4832 121.2094 62.1248 29.5582 174.4930 193 D 5.0209 8.1653 127.2297 52.4643 39.9222 176.5606 194 W 4.8547 7.2729 112.7701 56.6404 29.4787 175.2949 195 K 4.2545 7.2103 119.9672 55.0870 30.6281 177.0692 196 I 3.8199 8.3676 126.0751 64.1144 37.2279 177.4452 197 N 4.5983 8.0217 114.8896 54.0078 38.1582 174.8244 198 N 4.8154 7.5383 116.6337 52.4976 39.0031 174.8488 199 Q 4.2321 7.6794 118.8935 54.5894 28.1696 177.3626 200 K 3.6762 8.1498 123.2035 57.6610 32.7028 177.5111 201 G 3.8712 7.6665 104.8018 44.1214 0.0000 174.0747 202 K 3.9645 8.7313 118.0511 59.6099 31.9143 178.1415 203 K 3.8907 8.1303 119.0754 59.8474 31.8991 177.5641 204 Y 4.0532 8.2369 118.8481 60.8008 38.6284 178.1010 205 A 3.7823 7.8507 120.2111 55.1671 18.6476 178.7160 206 Y 3.9338 8.2062 118.2573 61.1038 38.8643 178.0064 207 D 4.2418 8.5371 119.9251 57.8494 40.8843 178.7072 208 H 3.7617 7.2237 116.2409 59.0990 28.3119 177.8436 209 M 4.0036 7.3205 119.1140 58.2139 31.5123 178.6060 210 I 3.8211 7.3894 120.0727 64.0061 37.1008 178.5908 211 K 3.8709 8.1071 118.8064 59.3628 32.0879 178.8367 212 Q 4.2852 8.1417 115.2368 55.2502 29.5093 176.2813 213 A 4.1436 7.3729 124.3951 52.1546 19.2389 176.4204 214 H 5.4069 8.3293 116.3289 53.4424 31.5053 171.2684 215 P 4.5048 0.0000 0.0000 64.2472 31.7271 177.5614 216 G 4.1779 9.1384 109.7834 45.6906 0.0000 172.9719 217 A 4.3703 7.7854 122.1023 52.0698 19.7074 177.2586 218 I 5.1038 8.9612 123.3114 59.8797 39.3816 174.6006 219 Y 4.8008 9.4222 126.6210 57.4300 39.3948 174.7728 220 L 4.8086 8.7230 126.2860 52.6532 43.5810 175.2989 221 L 4.6829 8.3683 126.1577 53.1232 45.5630 175.3580 222 H 5.3181 9.3051 117.6839 53.9637 32.1862 173.9254 223 T 4.7816 8.3965 107.4867 61.7605 69.1297 175.1934 224 V 4.2283 8.0037 116.3178 62.9409 32.9069 176.4681 225 S 4.6579 7.9023 114.4887 56.8151 63.1996 172.9811 226 R 3.5364 8.4683 126.3522 58.2561 30.1858 175.9324 227 D 5.2072 8.6372 121.5314 54.4893 38.9183 175.0899 228 N 4.3680 7.7601 119.8530 56.0829 36.9367 177.0529 229 A 4.0209 7.8257 122.4118 54.9409 18.6227 179.1927 230 E 3.9034 8.1795 116.3677 59.4990 29.5272 179.0991 231 A 4.1335 8.3482 121.1000 55.3869 18.3829 179.4391 232 L 3.9782 8.3071 118.8720 58.1998 42.1214 178.4054 233 D 4.3672 8.4753 118.4111 57.8002 41.1561 178.1847 234 D 4.4348 8.3863 118.8978 57.3309 40.7893 178.7058 235 A 4.0614 8.6176 121.6629 55.2425 18.3887 179.8404 236 I 3.5233 8.0185 118.5823 64.4868 36.9702 178.5985 237 T 3.9170 7.9189 116.6412 67.0601 68.4923 176.3867 238 D 4.4778 8.6664 120.9545 57.2441 40.9725 178.8613 239 L 4.1739 8.5432 120.0776 57.6874 41.5414 179.6834 240 K 4.4360 8.3318 119.8593 59.0645 31.8180 179.4876 241 K 4.0834 7.7297 117.6895 59.4458 32.0549 178.6340 242 Q 4.3055 7.8128 115.5770 56.5202 28.7923 176.8217 243 G 3.9153 8.2937 109.2605 45.1296 0.0000 173.0970 244 Y 4.5597 7.9283 117.3428 57.3788 39.7558 174.6173 245 T 4.7648 8.7560 119.2985 61.8218 71.9637 173.0218 246 F 4.8815 8.9236 124.2666 56.0463 40.3379 175.2426 247 K 4.8298 8.4384 122.6442 54.4806 36.4843 175.8140 248 S 4.8654 9.1096 116.7963 57.1962 64.9313 175.3586 249 I 3.7156 7.7424 120.5617 64.1864 36.4794 178.6144 250 D 4.5996 7.9377 120.9750 56.8365 40.7644 178.0865 251 D 4.4594 8.5289 119.8407 57.3919 40.7898 178.5815 252 L 3.8888 8.0550 120.6750 58.5872 41.8585 179.0422 253 M 3.9672 8.2532 118.7064 58.2975 32.0151 178.5961 254 F 4.0310 8.8053 121.3354 61.1726 39.3725 177.2209 255 E 4.0506 8.6481 118.2215 59.0471 29.3295 178.9633 256 K 4.0849 7.6014 117.4778 59.0969 33.0514 178.4465 257 E 3.9303 7.4738 119.4501 58.3647 29.5074 178.1180 258 M 3.8288 7.2705 119.9182 59.0623 32.5092 176.5618 *259 R 4.1390 7.8156 119.8740 56.3835 30.3682 176.7394 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 24 V 8.05 4.15 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 1.12 0.00 0.00 1.03 0.00 0.00 25 P 0.00 4.21 0.00 2.34 1.98 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 26 N 9.23 5.21 0.00 2.46 2.63 0.00 0.00 7.15 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 27 E 8.13 4.29 0.00 1.85 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 2.28 2.32 0.00 28 P 0.00 4.37 0.00 1.87 1.97 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 29 I 8.77 4.38 0.56 0.00 0.00 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 0.97 0.77 0.51 0.00 0.00 30 N 8.52 5.32 0.00 2.55 2.78 0.00 0.00 7.03 7.68 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 31 W 9.55 4.09 0.00 2.88 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 32 G 6.23 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 33 F 6.76 4.18 0.00 2.90 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 34 K 8.65 4.02 0.00 1.72 1.79 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 35 R 8.54 4.28 0.00 1.87 1.96 0.00 3.27 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 36 S 8.62 4.28 0.00 3.77 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 37 V 7.83 4.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 38 N 9.50 4.10 0.00 2.93 2.91 0.00 0.00 7.03 8.16 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 39 H 8.00 4.74 0.00 3.40 3.59 0.00 5.73 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.85 4.72 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 41 P 0.00 4.12 0.00 2.06 2.05 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.40 0.00 42 P 0.00 4.64 0.00 2.04 2.41 0.00 3.58 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 43 D 8.25 4.87 0.00 2.64 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 44 A 9.00 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.58 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 46 K 8.56 4.14 0.00 1.82 1.89 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.41 7.81 47 Q 8.08 3.92 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 48 L 7.81 4.09 0.00 1.72 1.85 0.57 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.62 4.54 0.00 2.93 2.99 0.00 0.00 6.94 6.99 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 50 S 8.02 4.15 0.00 3.88 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 51 L 7.72 4.13 0.00 1.97 1.86 1.24 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.69 3.94 2.21 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.32 1.16 0.00 0.00 53 E 8.33 4.10 0.00 2.11 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 2.40 2.57 0.00 54 K 8.13 3.78 0.00 1.85 1.98 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.45 1.18 7.81 55 Y 7.23 4.53 0.00 3.10 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 56 D 8.32 4.47 0.00 2.92 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 57 A 8.00 4.40 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.62 5.10 0.00 3.08 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 59 Y 8.41 4.72 0.00 2.94 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.55 4.88 0.00 1.09 1.40 0.66 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.04 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 9.46 4.83 0.00 2.92 2.84 0.00 0.00 7.37 6.82 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 63 T 8.44 4.36 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 64 K 8.56 4.36 0.00 1.93 1.87 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.35 7.81 65 E 7.66 4.65 0.00 1.80 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 2.28 2.24 0.00 66 K 8.14 4.25 0.00 1.46 1.44 0.00 1.24 0.00 0.00 1.08 0.00 0.00 2.24 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.06 7.81 67 T 7.68 5.03 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 0.60 0.00 0.00 68 I 7.72 4.69 0.56 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.36 0.05 0.00 0.00 69 Y 8.92 5.24 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.58 4.73 0.00 1.59 1.26 0.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.72 4.88 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 72 F 9.12 5.52 0.00 2.72 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 73 D 8.62 5.34 0.00 2.28 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 9.51 4.51 0.00 1.74 1.42 0.00 0.00 6.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.61 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 0.00 0.00 0.00 76 Y 7.26 5.09 0.00 3.20 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 77 E 8.85 4.75 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 78 N 8.93 4.91 0.00 2.83 2.86 0.00 0.00 7.37 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.67 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 80 Y 7.45 4.79 0.00 3.31 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 81 T 8.05 3.89 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 1.12 0.00 0.00 82 P 0.00 4.22 0.00 2.15 2.08 0.00 3.54 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 83 K 8.05 4.18 0.00 2.07 1.92 0.00 1.92 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.58 7.81 84 V 7.97 3.65 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 85 L 8.30 4.00 0.00 1.81 1.66 0.74 0.52 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 86 D 8.06 4.39 0.00 2.88 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 87 V 8.24 3.60 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 1.11 0.00 0.00 1.01 0.00 0.00 88 L 8.06 4.02 0.00 1.98 2.08 0.97 1.00 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 89 K 8.13 3.86 0.00 1.94 2.01 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 90 K 8.19 3.80 0.00 1.74 2.08 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.41 7.81 91 H 8.04 4.58 0.00 3.11 3.20 0.00 5.86 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.90 3.76 0.00 1.91 1.98 0.00 3.12 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 93 V 7.94 4.51 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 0.80 0.00 0.00 0.79 0.00 0.00 94 T 8.64 4.63 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 1.34 0.00 0.00 95 G 9.18 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 0.00 0.00 0.00 96 T 8.11 4.96 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 0.72 0.00 0.00 97 F 9.18 5.02 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 9.75 4.87 0.00 3.06 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 99 V 8.49 4.96 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 0.73 0.00 0.00 1.05 0.00 0.00 100 T 7.66 5.29 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 1.39 0.00 0.00 101 G 8.43 2.32 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 0.00 102 H 7.84 4.00 0.00 3.18 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.07 3.98 0.00 3.41 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 0.00 104 V 7.61 3.56 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 0.93 0.00 0.00 1.12 0.00 0.00 105 K 7.76 4.06 0.00 1.68 1.82 0.00 2.11 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 106 D 7.70 4.43 0.00 2.42 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 0.00 107 Q 7.61 4.42 0.00 1.17 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.52 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 108 P 0.00 4.18 0.00 2.09 2.07 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 109 Q 7.88 3.96 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 110 L 7.68 3.91 0.00 1.71 1.69 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.67 3.67 2.06 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 1.58 1.19 0.92 0.00 0.00 112 K 8.31 3.91 0.00 1.80 1.92 0.00 1.48 0.00 0.00 1.60 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.64 7.81 113 R 8.10 3.91 0.00 1.97 1.89 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 114 M 8.24 3.90 0.00 1.89 2.21 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.47 0.00 115 S 7.94 4.07 0.00 3.91 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 0.00 116 D 8.35 4.42 0.00 2.64 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 0.00 117 E 8.53 4.50 0.00 2.06 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 2.30 2.30 0.00 118 G 7.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.93 4.92 0.00 3.34 3.82 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.84 4.75 1.90 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 1.32 0.92 1.05 0.00 0.00 121 I 9.13 4.72 1.94 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 1.22 0.63 1.03 0.00 0.00 122 G 8.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.57 5.36 0.00 2.98 2.80 0.00 0.00 7.06 7.92 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 0.00 124 H 9.07 5.53 0.00 3.16 3.33 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 9.03 4.36 0.00 4.23 4.08 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 0.00 126 F 8.93 3.84 0.00 3.28 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 0.00 127 H 8.97 4.81 0.00 3.33 3.42 0.00 6.06 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.33 4.44 0.00 3.25 3.35 0.00 5.54 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.53 0.00 2.25 2.11 0.00 3.84 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 2.00 2.11 0.00 130 D 8.36 4.55 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.53 4.14 0.00 1.78 1.72 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.70 4.45 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 1.31 0.00 0.00 133 T 7.90 4.55 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 1.22 0.00 0.00 134 K 7.81 4.94 0.00 2.00 1.79 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.52 7.81 135 T 9.27 4.55 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 136 A 8.43 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.12 4.26 0.00 2.75 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 0.00 138 Q 7.86 3.97 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 139 I 8.32 3.67 2.02 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.83 0.00 0.00 140 Q 8.29 3.97 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 141 D 7.94 4.29 0.00 2.78 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 0.00 142 E 8.49 4.03 0.00 2.22 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 2.54 2.58 0.00 143 L 7.87 4.03 0.00 1.71 1.46 0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.58 4.46 0.00 2.81 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 0.00 145 S 8.49 4.18 0.00 3.53 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 0.00 146 V 7.86 3.80 2.47 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 1.20 0.00 0.00 1.18 0.00 0.00 147 N 8.34 4.45 0.00 2.97 2.95 0.00 0.00 6.63 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 0.00 148 E 8.72 3.94 0.00 2.15 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 0.00 2.33 2.44 0.00 149 E 8.29 4.06 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 150 V 8.02 3.62 2.33 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 1.00 0.00 0.00 1.05 0.00 0.00 151 Y 8.72 3.99 0.00 3.11 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 0.00 152 K 7.99 4.05 0.00 2.05 2.06 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.55 7.81 153 I 7.40 3.93 1.99 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 1.57 0.83 0.93 0.00 0.00 154 T 8.47 4.31 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 155 G 7.87 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 0.00 0.00 0.00 156 K 7.30 4.71 0.00 1.73 1.71 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.49 7.81 157 Q 8.23 4.45 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 158 D 8.58 4.74 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.35 4.21 0.00 2.45 2.34 0.00 0.00 6.90 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 0.00 160 L 7.92 4.02 0.00 1.28 0.73 0.72 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.59 5.56 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 9.51 5.19 0.00 1.51 1.43 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.79 4.33 0.00 0.67 1.14 0.00 2.73 0.00 0.00 2.84 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 164 P 0.00 4.28 0.00 2.39 2.16 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 165 P 0.00 4.26 0.00 2.18 1.37 0.00 3.70 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 2.09 2.06 0.00 166 R 9.50 3.62 0.00 1.94 2.05 0.00 3.32 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 167 G 8.22 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.91 4.93 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 0.81 0.00 0.00 1.08 0.00 0.00 169 F 9.31 5.20 0.00 3.12 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 0.00 170 S 8.58 4.62 0.00 3.85 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 0.00 171 E 8.99 3.79 0.00 2.13 2.32 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 2.49 2.43 0.00 172 Y 8.21 4.11 0.00 3.06 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 0.00 173 V 7.73 3.10 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 1.04 0.00 0.00 0.99 0.00 0.00 174 L 7.91 3.80 0.00 1.32 1.32 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.51 3.82 0.00 1.59 1.90 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.71 7.81 176 E 8.34 3.86 0.00 1.67 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 177 T 8.15 3.94 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 178 K 8.33 4.26 0.00 2.01 2.17 0.00 2.04 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.38 7.81 179 R 7.78 4.03 0.00 2.10 2.08 0.00 3.34 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 180 L 7.46 4.39 0.00 2.01 1.94 0.97 1.06 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 0.00 181 G 7.99 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 0.00 182 Y 8.26 4.48 0.00 3.14 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 0.00 183 Q 9.07 4.60 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.85 2.73 0.00 184 T 8.35 4.41 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 0.19 0.00 0.00 185 V 8.08 3.60 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 0.56 0.00 0.00 0.74 0.00 0.00 186 F 7.97 4.78 0.00 1.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 W 7.39 5.28 0.00 3.61 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 0.00 188 S 9.33 4.16 0.00 3.90 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 0.00 189 V 8.10 4.90 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.97 0.00 0.00 190 A 9.03 4.98 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 0.00 191 F 7.63 4.61 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.48 3.64 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 -0.03 0.00 0.00 0.93 0.00 0.00 193 D 8.17 5.02 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 W 7.27 4.85 0.00 3.38 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.21 4.25 0.00 1.36 1.57 0.00 1.20 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.14 0.21 7.81 196 I 8.37 3.82 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.99 0.00 0.00 197 N 8.02 4.60 0.00 2.82 2.94 0.00 0.00 5.70 8.04 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 0.00 198 N 7.54 4.82 0.00 2.57 2.56 0.00 0.00 7.17 6.40 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 0.00 199 Q 7.68 4.23 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 200 K 8.15 3.68 0.00 1.33 1.63 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 1.27 7.81 201 G 7.67 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 0.00 202 K 8.73 3.96 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.61 7.81 203 K 8.13 3.89 0.00 1.88 1.86 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.55 7.81 204 Y 8.24 4.05 0.00 3.13 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 0.00 205 A 7.85 3.78 1.66 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 0.00 0.00 206 Y 8.21 3.93 0.00 3.12 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 0.00 207 D 8.54 4.24 0.00 2.56 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 0.00 208 H 7.22 3.76 0.00 1.95 2.18 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 0.00 209 M 7.32 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.76 0.00 210 I 7.39 3.82 1.69 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.25 0.86 0.00 0.00 211 K 8.11 3.87 0.00 1.70 1.78 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.41 7.81 212 Q 8.14 4.29 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 213 A 7.37 4.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 H 8.33 5.41 0.00 3.44 3.45 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 P 0.00 4.50 0.00 2.35 2.21 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 216 G 9.14 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 A 7.79 4.37 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 0.00 218 I 8.96 5.10 2.21 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 1.13 0.00 0.00 219 Y 9.42 4.80 0.00 2.80 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 0.00 220 L 8.72 4.81 0.00 1.30 1.19 -0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.37 4.68 0.00 1.34 1.52 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 222 H 9.31 5.32 0.00 3.27 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 T 8.40 4.78 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 224 V 8.00 4.23 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 0.25 0.00 0.00 1.04 0.00 0.00 225 S 7.90 4.66 0.00 4.15 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 0.00 226 R 8.47 3.54 0.00 1.96 1.84 0.00 3.48 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 227 D 8.64 5.21 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 N 7.76 4.37 0.00 3.04 3.20 0.00 0.00 6.87 7.28 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 0.00 229 A 7.83 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 E 8.18 3.90 0.00 2.24 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 2.40 2.46 0.00 231 A 8.35 4.13 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 L 8.31 3.98 0.00 1.98 2.02 1.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 233 D 8.48 4.37 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 D 8.39 4.43 0.00 3.04 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 0.00 235 A 8.62 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 I 8.02 3.52 1.48 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.82 0.18 0.00 0.00 237 T 7.92 3.92 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 1.27 0.00 0.00 238 D 8.67 4.48 0.00 2.94 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 0.00 239 L 8.54 4.17 0.00 2.00 1.72 0.94 0.37 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 0.00 240 K 8.33 4.44 0.00 2.19 1.96 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.70 7.81 241 K 7.73 4.08 0.00 1.92 1.93 0.00 1.64 0.00 0.00 2.05 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.57 7.81 242 Q 7.81 4.31 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.70 0.00 0.00 0.00 0.00 0.00 2.45 2.74 0.00 243 G 8.29 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 0.00 244 Y 7.93 4.56 0.00 2.91 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 0.00 0.00 0.00 0.00 245 T 8.76 4.76 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 246 F 8.92 4.88 0.00 2.84 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 K 8.44 4.83 0.00 1.48 1.87 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.22 7.81 248 S 9.11 4.87 0.00 4.05 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 0.00 249 I 7.74 3.72 1.51 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 1.49 0.77 0.17 0.00 0.00 250 D 7.94 4.60 0.00 2.77 2.81 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 0.00 251 D 8.53 4.46 0.00 3.10 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 0.00 252 L 8.06 3.89 0.00 1.46 1.58 -0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 253 M 8.25 3.97 0.00 2.19 2.38 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 3.11 2.93 0.00 254 F 8.81 4.03 0.00 3.24 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 0.00 255 E 8.65 4.05 0.00 1.98 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 2.48 2.70 0.00 256 K 7.60 4.08 0.00 1.75 1.79 0.00 1.41 0.00 0.00 1.28 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.29 7.81 257 E 7.47 3.93 0.00 1.92 1.81 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 2.14 2.09 0.00 258 M 7.27 3.83 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 *259 R 7.82 4.14 0.00 1.62 1.73 0.00 3.28 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.