NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3446 8.3044 120.3264 55.4142 32.1269 174.5431 2 L 4.2947 8.1872 126.8337 52.6296 41.3333 173.2126 3 S 4.7033 8.9071 120.6617 56.1022 67.3060 175.4365 4 Q 4.3718 8.3682 125.1754 54.2422 26.7981 176.3258 5 T 3.8269 8.0387 114.9340 65.0117 69.0255 176.0953 6 L 3.9801 7.8604 123.4615 56.9017 42.1443 178.7325 7 L 3.9714 7.8185 120.1062 58.1140 42.2376 178.2460 8 E 3.9954 8.7485 119.6237 59.5206 29.5446 178.5485 9 M 4.0869 8.4609 119.0773 58.7579 31.9733 178.9469 10 T 3.6859 7.8329 115.1867 66.7248 68.8431 176.4408 11 E 3.9145 8.6666 120.8223 59.5983 29.4517 179.3914 12 Q 3.9428 8.5081 119.6803 59.5872 29.1496 178.2784 13 M 3.9077 7.9380 119.5998 58.2251 31.8003 178.8248 14 I 3.6724 7.9040 120.3737 64.2886 37.2780 178.0877 15 E 3.9418 8.0208 119.8583 59.2269 29.4782 178.9704 16 V 3.6409 8.0971 118.1825 65.8367 31.5167 177.7402 17 A 3.8948 8.3553 120.5145 55.4877 18.3293 179.5947 18 E 3.8991 8.2555 116.8975 59.2439 29.4379 179.8434 19 K 4.0710 8.6738 119.2453 59.4287 32.2075 179.6237 20 G 3.5434 8.5326 106.2113 47.6655 0.0000 175.6512 21 A 4.3094 8.2827 123.5816 55.0482 18.3852 179.2701 22 D 4.2601 8.6726 116.9757 57.2597 41.2658 178.2925 23 R 3.8138 8.4435 119.7675 59.7916 29.8578 177.9418 24 Y 3.9352 7.7773 117.6583 60.1654 38.7816 176.8945 25 Q 4.0346 8.1283 120.2989 59.2516 29.4437 177.7125 26 E 4.3175 8.3446 120.1527 57.8516 30.5110 173.8339 27 G 4.0748 7.1710 110.3195 44.1403 0.0000 171.9971 28 K 4.9584 7.5924 135.0000 57.8755 33.2285 175.6115 29 N 4.4210 8.4867 117.1790 56.3913 39.0870 175.3569 30 S 4.4842 8.6398 113.2644 57.3171 63.8956 174.1462 31 N 4.3457 8.6782 120.8185 53.8458 37.7579 174.9834 32 H 4.8243 8.5039 120.8125 53.6695 28.6670 173.2118 33 S 4.7134 8.5099 120.3802 56.7437 64.3731 173.4260 34 Y 5.0105 7.8711 122.0022 55.2175 40.9032 173.5946 35 D 5.0147 8.6243 119.7376 51.6819 41.9748 176.7825 36 F 4.5777 8.6909 125.9844 55.6136 38.1102 172.5406 37 F 4.3688 7.6034 131.7414 58.5327 44.1638 174.7258 38 E 3.9338 8.1095 121.0367 58.8243 29.7471 177.2288 39 T 4.0556 7.5634 113.3038 63.4790 68.5023 176.6976 40 I 3.4811 7.2447 121.1394 63.2047 37.7670 177.6777 41 K 3.5544 7.4722 121.9004 59.0151 31.8069 177.0446 42 P 3.9730 0.0000 0.0000 65.6199 31.4651 177.9652 43 A 3.8924 7.4122 120.2900 54.9442 18.1876 179.7856 44 V 3.5230 7.6498 116.6135 66.1591 31.5548 178.1040 45 E 3.9571 7.6377 117.9528 59.4316 29.3196 178.9537 46 E 3.9626 8.3363 118.6447 59.8340 29.6099 179.3264 47 N 4.5099 8.1251 115.7998 56.2203 38.5819 176.9680 48 D 4.3660 8.6028 119.8819 57.6165 41.2800 178.3491 49 E 4.0107 8.5525 119.3651 59.0945 29.4351 178.9695 50 L 3.9451 8.4370 120.5682 58.2835 42.1244 178.9539 51 A 4.0450 8.5412 120.7525 55.1333 18.2354 179.4348 52 A 3.9809 7.9392 118.9234 55.3170 18.4473 179.9317 53 R 3.8687 8.3961 117.5311 59.1322 30.2097 178.4872 54 W 4.0276 8.7877 128.4161 60.3902 30.7389 177.6066 55 A 3.8064 8.4773 120.9715 55.2011 17.8949 179.0829 56 E 3.9083 8.0061 117.5368 59.4472 29.6142 179.4172 57 G 3.4116 7.9595 105.3971 47.6264 0.0000 175.5908 58 A 3.5923 7.8889 123.7423 54.6873 17.9081 179.7076 59 L 3.8277 8.0664 117.8846 57.7085 41.5169 179.4914 60 E 3.8634 7.8101 118.8228 59.0668 29.6450 178.5261 61 L 3.8762 7.9422 120.8010 58.1828 41.9593 178.9318 62 I 4.0323 7.8139 112.2773 63.0311 37.3144 177.9566 63 K 3.9391 7.3321 121.1318 59.0958 32.1710 178.6405 64 V 3.6826 7.7914 117.8232 63.9464 31.8802 176.1575 65 R 3.9911 8.6744 117.8554 56.1880 27.8134 178.4852 66 R 4.7830 8.9404 113.3398 54.8187 32.9691 170.2871 67 P 4.4457 0.0000 0.0000 63.3725 30.8040 175.7556 68 K 4.1119 9.8600 125.4565 58.5959 32.7699 177.2352 69 Y 4.3023 8.2244 114.0360 59.3884 38.8929 176.8958 70 V 3.9368 8.7160 118.3283 61.4076 32.6677 175.1858 71 H 4.8563 8.4858 120.3466 54.1114 32.4561 175.1345 72 K 3.8517 8.4703 128.9764 59.8333 32.1508 178.2474 73 E 4.2413 8.3347 120.2656 58.9805 29.3836 178.7711 74 Q 4.1446 8.1078 117.4110 58.8661 28.8146 178.5235 75 I 3.9689 7.8527 120.9721 64.6399 37.1257 178.4018 76 E 4.0861 8.4321 119.1854 59.1330 29.1752 179.4035 77 A 4.0235 8.4612 121.4308 55.1823 18.5458 179.7365 78 V 3.5517 8.5043 117.1774 65.9484 31.4055 177.8887 79 K 3.8963 8.0427 118.9998 59.7707 31.9088 178.2408 80 D 4.3466 7.7770 117.4212 57.5368 41.2457 177.9833 81 N 4.4253 8.9585 117.3678 56.1453 38.4412 177.2121 82 F 4.0858 8.7670 122.7841 61.1319 39.4376 177.2218 83 L 4.0423 7.7216 118.2707 57.9700 41.4892 179.4036 84 E 4.0765 8.1138 118.3257 58.8430 29.3272 179.1000 85 L 3.8873 8.1449 121.1347 58.2096 41.6386 179.1426 86 V 3.5483 7.5869 118.0870 65.8844 31.3617 177.4630 87 L 4.1136 7.9377 119.9353 58.6478 42.0329 179.1413 88 Q 4.0112 8.7893 118.0880 58.6777 28.3572 178.8510 89 S 3.5972 8.0439 113.8429 61.2998 62.4851 175.2050 90 Y 4.1290 7.3742 116.6690 60.2589 36.8721 177.8931 91 V 3.8089 8.2031 112.4539 61.8152 30.3099 176.8339 92 H 4.3425 8.1455 115.0383 57.0814 26.4751 176.0131 93 H 4.1808 7.6043 119.0803 57.7360 29.9766 175.3174 94 I 3.9613 6.6825 118.8538 60.8512 37.9263 173.6493 95 H 4.4452 7.8652 124.3517 56.8367 29.8098 175.7621 96 K 4.7021 6.8882 117.2741 56.5691 40.3500 178.4416 97 K 4.0534 8.0943 118.5507 59.8555 32.3876 179.7238 98 R 3.9882 7.9774 117.8892 58.7964 29.9879 178.7549 99 F 4.0894 7.9737 120.6249 61.3340 39.3955 177.4583 100 K 3.9343 8.0322 117.5220 58.9341 31.8712 178.9008 101 D 4.2235 8.0616 118.6488 57.3383 41.1999 178.2365 102 I 3.6437 7.9232 120.6388 64.7191 37.1304 178.4677 103 T 3.7173 7.5321 116.4076 66.6513 68.2396 176.4550 104 E 3.9362 8.4490 120.7180 59.6297 29.4458 179.6646 105 S 4.2311 8.4539 115.5765 61.4032 62.8556 176.9999 106 V 3.5778 8.2573 121.3387 66.0502 31.3220 177.9787 107 L 3.9197 8.3904 119.0396 57.9008 41.5635 178.7334 108 Y 4.0821 8.4592 119.6684 61.2439 38.6499 178.5309 109 T 3.7624 8.2796 116.4392 66.6575 68.5420 176.7070 110 L 4.0513 8.4542 121.2035 58.2086 41.6073 179.3651 111 H 4.1874 8.5090 116.0880 58.6993 28.6723 177.7791 112 A 3.8821 7.7033 122.4629 54.9816 18.1836 179.9285 113 V 3.5598 8.1026 117.0617 65.9604 31.6622 177.9745 114 K 3.9055 8.4488 119.8817 59.5985 31.8314 178.1841 115 D 4.1929 7.8546 117.5573 57.5903 41.3878 178.2273 116 E 4.0004 8.0533 118.3364 58.9530 29.2925 179.4961 117 I 3.6509 8.2141 120.4955 64.4292 37.0593 178.2105 118 A 4.0430 7.5995 118.9090 54.3784 18.2921 179.2318 119 R 3.9717 7.9284 117.2828 59.0004 30.1603 177.7695 120 E 4.0667 7.9252 118.2010 56.4296 30.0344 172.3773 121 D 4.5919 7.8741 126.2550 53.5370 43.0181 173.3090 122 S 4.6139 8.4902 120.7099 57.2672 64.7043 174.2385 123 R 4.1983 8.3415 117.2327 56.3899 29.3626 175.7730 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 4.34 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 L 8.19 4.29 0.00 1.65 1.59 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.91 4.70 0.00 3.84 3.71 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 4 Q 8.37 4.37 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 5 T 8.04 3.83 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 6 L 7.86 3.98 0.00 1.75 1.69 0.74 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.82 3.97 0.00 1.73 1.80 0.93 0.92 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 8 E 8.75 4.00 0.00 2.12 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 2.32 2.36 0.00 9 M 8.46 4.09 0.00 2.28 2.47 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.66 0.00 10 T 7.83 3.69 4.49 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 1.31 0.00 0.00 11 E 8.67 3.91 0.00 2.08 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 2.44 2.48 0.00 12 Q 8.51 3.94 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 13 M 7.94 3.91 0.00 1.21 1.66 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.99 0.00 14 I 7.90 3.67 2.04 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 1.38 1.00 0.93 0.00 0.00 15 E 8.02 3.94 0.00 2.08 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 0.00 2.33 2.33 0.00 16 V 8.10 3.64 2.62 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 1.06 0.00 0.00 1.13 0.00 0.00 17 A 8.36 3.89 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 0.00 0.00 0.00 0.00 0.00 18 E 8.26 3.90 0.00 2.14 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 2.32 2.50 0.00 19 K 8.67 4.07 0.00 2.03 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 20 G 8.53 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.28 4.31 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 22 D 8.67 4.26 0.00 2.83 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 23 R 8.44 3.81 0.00 2.07 1.85 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.54 0.00 24 Y 7.78 3.94 0.00 2.66 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 25 Q 8.13 4.03 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 26 E 8.34 4.32 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 27 G 7.17 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 28 K 7.59 4.96 0.00 1.61 1.82 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.13 7.81 29 N 8.49 4.42 0.00 2.67 3.04 0.00 0.00 7.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.64 4.48 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.68 4.35 0.00 2.73 2.80 0.00 0.00 6.81 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 32 H 8.50 4.82 0.00 3.42 3.40 0.00 5.50 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.51 4.71 0.00 3.99 3.90 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 34 Y 7.87 5.01 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.62 5.01 0.00 2.84 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 36 F 8.69 4.58 0.00 3.11 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 37 F 7.60 4.37 0.00 3.03 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 38 E 8.11 3.93 0.00 2.11 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 2.29 2.24 0.00 39 T 7.56 4.06 4.19 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 1.13 0.00 0.00 40 I 7.24 3.48 1.33 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 0.75 0.21 0.50 0.00 0.00 41 K 7.47 3.55 0.00 1.50 1.43 0.00 1.31 0.00 0.00 1.35 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.06 1.28 7.81 42 P 0.00 3.97 0.00 2.23 2.20 0.00 3.53 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 2.09 1.92 0.00 43 A 7.41 3.89 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 44 V 7.65 3.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 45 E 7.64 3.96 0.00 2.14 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 2.45 2.46 0.00 46 E 8.34 3.96 0.00 2.12 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 2.54 2.49 0.00 47 N 8.13 4.51 0.00 2.84 3.03 0.00 0.00 7.10 7.46 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 48 D 8.60 4.37 0.00 2.87 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 49 E 8.55 4.01 0.00 2.22 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 2.44 2.47 0.00 50 L 8.44 3.95 0.00 1.97 1.86 0.94 1.11 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 51 A 8.54 4.05 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 52 A 7.94 3.98 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 53 R 8.40 3.87 0.00 2.09 2.16 0.00 3.17 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 1.66 1.71 0.00 54 W 8.79 4.03 0.00 3.41 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.48 3.81 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.01 3.91 0.00 2.17 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 2.29 2.47 0.00 57 G 7.96 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 0.00 0.00 0.00 58 A 7.89 3.59 0.35 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 59 L 8.07 3.83 0.00 1.78 1.66 0.89 0.73 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 60 E 7.81 3.86 0.00 2.18 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 2.26 2.31 0.00 61 L 7.94 3.88 0.00 1.68 1.68 0.88 1.05 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 62 I 7.81 4.03 1.82 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 1.54 0.62 0.89 0.00 0.00 63 K 7.33 3.94 0.00 1.83 2.01 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.55 7.81 64 V 7.79 3.68 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 0.92 0.00 0.00 0.99 0.00 0.00 65 R 8.67 3.99 0.00 1.71 1.46 0.00 3.45 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 66 R 8.94 4.78 0.00 1.78 1.78 0.00 3.14 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 67 P 0.00 4.45 0.00 2.34 2.08 0.00 3.77 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 1.95 1.92 0.00 68 K 9.86 4.11 0.00 1.67 1.91 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.94 1.23 7.81 69 Y 8.22 4.30 0.00 3.10 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 70 V 8.72 3.94 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 0.82 0.00 0.00 0.99 0.00 0.00 71 H 8.49 4.86 0.00 3.36 3.26 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.47 3.85 0.00 1.82 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.48 7.81 73 E 8.33 4.24 0.00 2.17 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 0.00 2.44 2.33 0.00 74 Q 8.11 4.14 0.00 2.49 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 75 I 7.85 3.97 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.78 0.00 0.00 76 E 8.43 4.09 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 77 A 8.46 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.50 3.55 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 0.92 0.00 0.00 1.07 0.00 0.00 79 K 8.04 3.90 0.00 2.04 2.11 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.74 7.81 80 D 7.78 4.35 0.00 3.02 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 81 N 8.96 4.43 0.00 2.86 2.88 0.00 0.00 6.75 8.81 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 82 F 8.77 4.09 0.00 3.22 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 83 L 7.72 4.04 0.00 2.11 1.76 0.99 1.04 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 84 E 8.11 4.08 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 85 L 8.14 3.89 0.00 1.72 1.51 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.59 3.55 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.67 0.00 0.00 87 L 7.94 4.11 0.00 2.00 1.90 1.07 0.98 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 88 Q 8.79 4.01 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 89 S 8.04 3.60 0.00 4.16 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 90 Y 7.37 4.13 0.00 3.10 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 91 V 8.20 3.81 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 0.81 0.00 0.00 1.03 0.00 0.00 92 H 8.15 4.34 0.00 3.44 3.41 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 7.60 4.18 0.00 3.10 3.49 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 6.68 3.96 1.76 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.19 0.00 0.00 95 H 7.87 4.45 0.00 3.10 3.14 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 6.89 4.70 0.00 1.80 1.65 0.00 1.85 0.00 0.00 2.04 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.36 7.81 97 K 8.09 4.05 0.00 1.79 1.87 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.50 7.81 98 R 7.98 3.99 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 99 F 7.97 4.09 0.00 2.78 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 0.00 100 K 8.03 3.93 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.51 7.81 101 D 8.06 4.22 0.00 2.91 2.75 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 0.00 102 I 7.92 3.64 1.72 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 1.50 0.59 0.85 0.00 0.00 103 T 7.53 3.72 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 104 E 8.45 3.94 0.00 2.15 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 2.40 2.47 0.00 105 S 8.45 4.23 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.26 3.58 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 1.02 0.00 0.00 1.09 0.00 0.00 107 L 8.39 3.92 0.00 1.78 1.59 0.88 0.71 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 0.00 108 Y 8.46 4.08 0.00 3.03 3.22 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 0.00 109 T 8.28 3.76 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 110 L 8.45 4.05 0.00 1.74 1.68 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.51 4.19 0.00 3.32 3.26 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.70 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.10 3.56 2.42 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 1.10 0.00 0.00 1.24 0.00 0.00 114 K 8.45 3.91 0.00 1.98 1.94 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.58 7.81 115 D 7.85 4.19 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.05 4.00 0.00 2.09 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 2.43 2.55 0.00 117 I 8.21 3.65 2.01 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 1.42 0.82 0.91 0.00 0.00 118 A 7.60 4.04 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 0.00 119 R 7.93 3.97 0.00 1.96 2.08 0.00 3.52 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 120 E 7.93 4.07 0.00 2.01 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 2.28 2.34 0.00 121 D 7.87 4.59 0.00 2.96 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 0.00 0.00 0.00 0.00 122 S 8.49 4.61 0.00 4.00 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 0.00 123 R 8.34 4.20 0.00 1.90 1.91 0.00 3.06 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00