NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4107 8.2893 120.3486 55.3800 33.1912 174.6981 2 N 4.6811 8.5917 123.9197 51.3741 38.9949 172.9581 3 I 4.6009 8.7922 121.0788 59.5890 41.9380 176.3170 4 I 4.3803 8.3251 123.7837 59.6253 38.5636 175.1288 5 K 4.4585 8.6075 124.7696 54.3825 34.1320 176.2132 6 A 4.5726 8.3889 126.3018 50.7850 20.8609 175.0555 7 N 5.0420 8.1967 116.8284 51.9875 41.6163 175.5965 8 V 3.9375 8.0910 113.8478 62.4273 32.3970 176.3233 9 A 4.1892 8.0560 123.6231 52.0420 18.7539 178.0051 10 A 4.6289 8.2641 122.3535 51.2169 21.5786 174.1225 11 P 4.7992 0.0000 0.0000 64.8628 32.1624 178.8121 12 D 4.7195 8.0627 115.7772 54.2558 40.5676 175.8203 13 A 4.5987 7.6446 124.5418 51.9313 20.0763 178.2720 14 R 4.8541 9.6057 120.8225 55.0850 32.6890 175.8911 15 V 4.9535 8.9752 124.2567 59.9888 35.0021 173.9211 16 A 4.9602 8.4812 128.1870 50.0523 21.6482 175.1582 17 I 4.8063 8.5980 123.6662 59.5721 39.6100 174.6790 18 T 4.7534 8.5489 117.7007 59.9874 70.7742 173.4441 19 I 5.2443 8.2148 126.4872 58.2079 40.6067 174.4741 20 A 5.0240 8.4214 127.8507 51.2705 19.1573 177.9642 21 R 4.4751 9.3830 119.7032 58.4867 30.2549 177.0043 22 F 4.5922 8.2601 121.4079 59.8173 39.7118 174.2895 23 N 4.6393 9.8656 123.8747 54.6094 35.5918 176.1669 24 Q 4.1574 8.3167 120.4562 59.4839 28.0891 177.8039 25 F 3.7796 8.5013 121.4516 61.1178 39.4058 176.4486 26 I 4.2093 8.2673 118.6971 63.7451 37.3063 177.7348 27 N 4.3565 8.2955 116.6326 56.3429 38.2595 176.9521 28 D 4.5131 8.8524 121.0559 57.6269 41.0036 178.8062 29 S 4.0739 7.9672 112.9893 61.0324 62.4107 175.4253 30 L 4.0533 7.7790 123.2463 58.8085 41.6487 178.2254 31 L 3.8973 8.4286 120.5657 57.3719 41.9355 178.8189 32 D 4.4912 8.5451 118.4330 57.1948 40.9428 179.8745 33 G 3.5529 8.1659 105.9796 47.7101 0.0000 175.4579 34 A 3.9281 8.0751 124.1152 54.7366 18.4174 179.4856 35 V 3.4431 7.7646 116.0561 66.3470 31.5337 177.0632 36 D 4.3134 8.1136 117.1122 57.6838 40.9242 177.9283 37 A 3.9440 8.1309 120.8277 55.7787 18.4104 179.0281 38 L 3.8882 8.4204 116.9180 59.2956 41.8008 179.7338 39 T 4.2201 8.3214 111.0898 64.0089 68.5377 176.1857 40 R 3.8613 8.2479 123.6451 58.1491 30.3809 178.3285 41 I 4.2681 7.7986 118.0090 63.3445 38.2555 177.6985 42 G 3.8508 7.8190 103.6517 44.0093 0.0000 173.8634 43 Q 3.6819 8.0482 120.8158 56.4919 28.2192 172.8269 44 V 3.9387 7.5011 116.7992 62.0416 32.1487 175.2101 45 K 4.2183 8.5756 128.9225 56.2754 32.6034 176.5512 46 D 4.6793 8.7938 124.4266 53.9748 39.1828 176.2125 47 D 4.7850 7.9669 117.3461 53.7725 40.1983 176.3407 48 N 4.7053 8.4954 117.8242 53.6673 39.2841 174.0594 49 I 4.8926 7.5841 120.2673 60.1558 38.4686 175.1692 50 T 4.7256 8.7734 117.2690 59.7075 71.9185 173.0129 51 V 4.6335 8.4137 123.5322 61.0455 34.2365 174.5307 52 V 4.3248 8.9032 128.2637 60.8110 33.8061 174.4596 53 W 4.7727 9.0167 129.0874 56.4991 29.5329 176.5127 54 V 4.3694 8.7055 119.2286 59.1224 33.5813 174.8392 55 P 4.3174 0.0000 0.0000 65.1775 31.2163 177.0876 56 G 4.5163 7.9806 108.3283 42.8016 0.0000 174.0038 57 A 4.0730 8.4633 120.3381 54.7487 18.0980 179.2053 58 Y 4.2132 8.1623 117.1512 60.6872 39.2547 177.3941 59 E 4.1088 8.1491 118.6967 57.8676 29.6211 178.5000 60 L 3.9005 7.4818 119.4394 58.1748 41.6212 177.0586 61 P 4.1779 0.0000 0.0000 64.8392 31.1164 177.9809 62 L 3.9212 7.6944 117.9432 58.4598 42.3279 179.2177 63 A 3.9822 7.8182 120.1519 55.6569 18.2897 179.8396 64 T 3.8203 8.2033 108.3785 64.5237 68.6971 176.1360 65 E 3.8472 8.9300 123.0400 59.1843 29.5795 178.2967 66 A 4.0114 8.0484 120.6260 55.6190 18.1921 179.6158 67 L 4.0791 7.6259 114.9840 57.9319 41.9291 179.4491 68 A 4.2348 8.4034 121.0326 55.0917 18.2024 179.8706 69 K 3.9659 8.2804 116.4407 59.5249 32.1445 178.9715 70 S 4.1938 8.1654 113.1726 59.5288 62.0320 175.9219 71 G 3.9745 8.2733 108.1290 45.6040 0.0000 175.1855 72 K 3.8345 7.7092 120.0341 58.1391 32.3469 176.1584 73 Y 5.0476 6.9457 115.7208 56.3256 40.5595 175.3680 74 D 4.7164 9.3075 122.2108 56.0014 41.8046 176.4062 75 A 4.5269 7.3511 117.5284 51.2479 22.4739 175.0689 76 V 4.7495 8.3697 120.2375 61.0326 34.6248 174.4856 77 V 4.3786 8.7394 128.1703 61.4601 33.3668 174.1390 78 A 4.9279 8.6311 130.2212 49.7194 20.7932 175.2602 79 L 5.3790 7.9319 123.1559 52.6063 44.5137 176.3618 80 G 4.1770 7.6800 108.3928 46.0024 0.0000 171.8296 81 T 5.0573 8.5351 116.0088 61.5040 72.1186 174.3540 82 V 4.2230 9.1054 125.0026 61.3619 34.1917 173.9061 83 I 4.8265 8.2081 128.8040 59.5481 38.6580 176.0244 84 R 3.6287 8.6017 128.0221 56.6413 30.3192 176.3653 85 G 4.4300 8.3147 115.8294 44.2131 0.0000 172.9302 86 G 3.6328 8.7952 107.6150 47.5661 0.0000 173.3701 87 T 4.5245 7.5917 108.2944 59.6877 71.4742 173.5294 88 A 4.4599 8.3692 121.3799 52.7444 18.8505 178.6197 89 H 4.2609 8.3768 119.8388 60.2938 29.7073 176.8645 90 F 4.0336 8.4904 121.8773 61.5685 38.9784 176.6273 91 E 3.6014 8.0356 118.4674 59.5284 29.3212 178.4053 92 Y 4.2940 7.3825 115.9421 60.7701 38.2039 177.5612 93 V 3.6647 7.6655 119.2293 65.8926 31.6517 177.8669 94 A 4.0873 7.7848 120.2739 55.0512 18.0713 179.6950 95 G 3.6067 8.0569 104.8000 47.7855 0.0000 176.1234 96 G 3.8605 8.6833 108.4296 45.8659 0.0000 174.8645 97 A 4.2510 7.8820 122.8326 54.4147 19.5777 179.1865 98 S 4.1020 8.1712 111.6718 61.8513 62.3788 176.2279 99 N 4.4542 8.5099 119.3766 55.9007 38.3432 177.3879 100 G 3.7134 7.7252 106.3114 48.0831 0.0000 175.4581 101 L 4.0009 8.0340 121.6492 57.2209 41.7628 179.6270 102 A 3.9814 7.9770 120.5690 55.1146 18.2679 179.4953 103 S 3.9295 8.3057 111.7331 61.4867 62.4428 176.1502 104 V 3.5463 7.8183 120.6487 66.2644 31.1466 177.7584 105 A 4.3348 7.8298 121.1894 54.8031 18.0124 179.3935 106 Q 3.8987 7.7398 116.6506 59.2261 29.1310 177.9137 107 D 4.5217 8.0437 119.3721 57.1013 41.2519 178.5676 108 S 4.3322 8.3233 113.0363 58.8372 63.4098 175.6102 109 G 3.8929 8.1027 109.4189 45.6716 0.0000 173.7294 110 V 3.9690 7.4932 121.0380 61.6131 32.9917 173.5840 111 P 4.5211 0.0000 0.0000 62.6572 32.4717 175.1482 112 V 4.8277 8.4108 123.7535 61.0213 33.9302 174.2401 113 A 4.4476 8.8767 130.4247 50.9547 20.4198 176.2917 114 F 4.7056 8.9950 126.7092 56.2389 38.2782 175.8914 115 G 3.9439 8.1443 118.2572 44.9442 0.0000 170.9866 116 V 4.5407 6.0835 117.5271 60.5486 33.9466 176.0435 117 L 4.2486 8.6914 129.3733 55.1271 42.7477 176.6251 118 T 5.2567 8.5310 113.0711 59.8107 68.7909 172.5903 119 T 4.6282 8.7543 120.7225 60.9613 72.0088 175.1602 120 E 4.0591 9.8829 120.9860 57.2371 30.5280 177.2622 121 S 4.7071 7.5917 112.0548 55.5622 67.6231 174.7710 122 I 3.6832 8.2439 123.2747 64.3310 36.6032 177.9630 123 E 3.9275 8.1946 118.9392 59.7849 29.5462 178.6575 124 Q 4.2822 8.1617 117.4256 58.7423 28.7240 178.5544 125 A 3.9908 7.8133 121.6484 55.4617 18.3601 179.6448 126 I 3.7395 7.8756 118.1465 64.7961 37.1243 178.5347 127 E 4.5380 8.0200 120.3357 58.1248 29.2739 178.4504 128 R 4.5298 7.9825 115.7668 55.6723 30.5416 176.6991 129 A 4.8333 7.2601 122.0473 52.6512 19.5488 177.1419 130 G 4.4577 8.1089 107.7320 48.0972 0.0000 175.3319 131 T 4.6001 7.5170 115.3229 60.0073 68.8803 175.7651 132 K 3.7730 9.2261 117.0667 59.3429 31.7760 177.7622 133 A 4.5693 7.7972 119.2234 52.0452 20.0087 178.9994 134 G 3.7374 8.2161 110.1924 47.4354 0.0000 174.0270 135 N 5.3092 8.2445 117.8505 50.9324 40.9085 175.5592 136 K 4.0236 8.9560 128.8794 59.0387 32.0481 179.0076 137 G 4.0996 8.2193 107.5570 47.3888 0.0000 175.5690 138 A 4.0388 7.8696 123.2749 54.3392 18.4763 179.2252 139 E 3.8605 8.4900 117.9882 59.2885 29.7319 178.9021 140 A 4.0540 8.6036 122.3634 54.3623 18.4407 179.2867 141 A 3.9118 8.2508 119.6747 55.3764 18.3987 179.9004 142 L 3.9085 8.0549 117.5548 58.2524 41.4742 179.9541 143 T 3.9361 8.0990 109.3272 64.6139 68.4874 176.0720 144 A 4.0123 7.9798 123.8655 54.9925 18.3482 179.0766 145 L 3.8786 7.8654 116.7526 58.2512 41.7977 179.3677 146 E 4.1922 8.4671 120.3964 59.0643 29.4340 178.9737 147 M 4.0442 7.9269 118.1545 58.3319 31.9402 178.3885 148 I 3.6806 7.7589 119.9752 64.8525 37.2958 178.1518 149 N 4.3114 7.9601 116.5301 56.2567 38.1629 177.4999 150 V 3.5776 7.8753 118.9354 66.3329 31.7214 177.8017 151 L 4.0790 8.5524 118.9768 57.6218 41.3451 179.3509 152 K 3.9561 8.2007 119.2844 59.4432 32.3032 177.0512 153 A 4.4658 8.0452 120.2300 51.8295 19.4007 177.2567 154 I 3.8633 7.8699 121.0766 63.2160 37.7764 173.9120 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 8.29 4.41 0.00 1.99 2.06 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 2.48 2.54 0.00 2 N 8.59 4.68 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.79 4.60 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.38 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.61 4.46 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.57 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 7 N 8.20 5.04 0.00 2.73 2.64 0.00 0.00 6.85 7.71 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 8 V 8.09 3.94 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.06 4.19 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.26 4.63 1.26 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 0.00 0.00 0.00 11 P 0.00 4.80 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.06 4.72 0.00 2.69 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 13 A 7.64 4.60 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 14 R 9.61 4.85 0.00 1.43 1.78 0.00 3.21 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.98 4.95 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.48 4.96 0.33 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 17 I 8.60 4.81 1.69 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 1.17 0.79 0.69 0.00 0.00 18 T 8.55 4.75 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.21 5.24 0.73 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.15 0.30 0.00 0.00 20 A 8.42 5.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.38 4.48 0.00 2.10 2.55 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 22 F 8.26 4.59 0.00 3.17 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 23 N 9.87 4.64 0.00 2.98 2.99 0.00 0.00 6.88 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 24 Q 8.32 4.16 0.00 2.54 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 25 F 8.50 3.78 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 26 I 8.27 4.21 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 0.95 0.00 0.00 27 N 8.30 4.36 0.00 2.87 2.91 0.00 0.00 7.07 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.85 4.51 0.00 2.67 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 29 S 7.97 4.07 0.00 3.81 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.78 4.05 0.00 1.92 1.63 0.96 0.51 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 31 L 8.43 3.90 0.00 1.79 1.76 0.77 1.33 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 32 D 8.55 4.49 0.00 2.87 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 33 G 8.17 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.08 3.93 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 35 V 7.76 3.44 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 1.02 0.00 0.00 0.96 0.00 0.00 36 D 8.11 4.31 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.13 3.94 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 38 L 8.42 3.89 0.00 1.86 1.73 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.32 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 40 R 8.25 3.86 0.00 1.84 2.24 0.00 3.24 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.80 4.27 2.06 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 1.45 0.98 0.91 0.00 0.00 42 G 7.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.05 3.68 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.50 3.94 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 0.88 0.00 0.00 1.01 0.00 0.00 45 K 8.58 4.22 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.79 4.68 0.00 2.83 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 47 D 7.97 4.79 0.00 2.79 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 48 N 8.50 4.71 0.00 2.89 3.00 0.00 0.00 6.89 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 49 I 7.58 4.89 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.77 4.73 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 1.55 0.00 0.00 51 V 8.41 4.63 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 0.53 0.00 0.00 0.84 0.00 0.00 52 V 8.90 4.32 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 0.94 0.00 0.00 0.87 0.00 0.00 53 W 9.02 4.77 0.00 3.21 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 54 V 8.71 4.37 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 0.74 0.00 0.00 1.01 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.98 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.46 4.07 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 58 Y 8.16 4.21 0.00 2.93 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 59 E 8.15 4.11 0.00 2.04 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 2.61 2.58 0.00 60 L 7.48 3.90 0.00 1.75 1.71 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.18 0.00 2.02 1.86 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 62 L 7.69 3.92 0.00 1.62 1.67 0.91 0.86 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 63 A 7.82 3.98 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 64 T 8.20 3.82 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 1.18 0.00 0.00 65 E 8.93 3.85 0.00 1.98 2.19 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 2.31 2.34 0.00 66 A 8.05 4.01 1.40 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 0.00 0.00 67 L 7.63 4.08 0.00 1.78 1.67 0.65 0.72 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 68 A 8.40 4.23 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 69 K 8.28 3.97 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.17 4.19 0.00 3.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.27 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 72 K 7.71 3.83 0.00 1.45 0.94 0.00 1.42 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.99 1.13 7.81 73 Y 6.95 5.05 0.00 3.13 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 74 D 9.31 4.72 0.00 2.56 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 75 A 7.35 4.53 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.37 4.75 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 0.94 0.00 0.00 0.85 0.00 0.00 77 V 8.74 4.38 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 0.90 0.00 0.00 0.88 0.00 0.00 78 A 8.63 4.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.93 5.38 0.00 1.38 1.39 0.85 0.62 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 80 G 7.68 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 81 T 8.54 5.06 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 1.19 0.00 0.00 82 V 9.11 4.22 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 0.88 0.00 0.00 0.87 0.00 0.00 83 I 8.21 4.83 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.88 0.00 0.00 84 R 8.60 3.63 0.00 0.67 1.39 0.00 3.05 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.31 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.59 4.52 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 1.24 0.00 0.00 88 A 8.37 4.46 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 89 H 8.38 4.26 0.00 3.31 3.42 0.00 5.62 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 90 F 8.49 4.03 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.04 3.60 0.00 1.95 1.12 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 2.01 2.18 0.00 92 Y 7.38 4.29 0.00 2.98 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 93 V 7.67 3.66 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 1.05 0.00 0.00 0.77 0.00 0.00 94 A 7.78 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.06 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.68 3.86 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 0.00 0.00 0.00 97 A 7.88 4.25 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.17 4.10 0.00 3.70 3.98 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 99 N 8.51 4.45 0.00 2.80 2.83 0.00 0.00 6.95 8.25 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 0.00 100 G 7.73 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 0.00 0.00 0.00 101 L 8.03 4.00 0.00 1.89 1.82 1.06 1.08 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 0.00 102 A 7.98 3.98 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 0.00 103 S 8.31 3.93 0.00 3.97 4.04 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 0.00 0.00 0.00 104 V 7.82 3.55 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 1.04 0.00 0.00 0.91 0.00 0.00 105 A 7.83 4.33 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 0.00 106 Q 7.74 3.90 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 107 D 8.04 4.52 0.00 2.70 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 0.00 108 S 8.32 4.33 0.00 4.02 4.04 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 0.00 0.00 0.00 109 G 8.10 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 0.00 110 V 7.49 3.97 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 1.01 0.00 0.00 1.00 0.00 0.00 111 P 0.00 4.52 0.00 2.12 1.97 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.41 4.83 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 0.81 0.00 0.00 1.00 0.00 0.00 113 A 8.88 4.45 1.26 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 0.00 0.00 0.00 114 F 8.99 4.71 0.00 3.00 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 0.00 115 G 8.14 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 0.00 0.00 0.00 116 V 6.08 4.54 1.26 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 0.69 0.00 0.00 0.03 0.00 0.00 117 L 8.69 4.25 0.00 1.62 1.58 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.53 5.26 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 1.24 0.00 0.00 119 T 8.75 4.63 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 1.26 0.00 0.00 120 E 9.88 4.06 0.00 1.94 1.92 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 2.31 2.30 0.00 121 S 7.59 4.71 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.24 3.68 1.84 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 1.48 0.74 0.87 0.00 0.00 123 E 8.19 3.93 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.16 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.81 3.99 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 0.00 126 I 7.88 3.74 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.93 0.99 0.00 0.00 127 E 8.02 4.54 0.00 2.22 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 2.34 2.39 0.00 128 R 7.98 4.53 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.26 4.83 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 0.00 130 G 8.11 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 0.00 0.00 0.00 0.00 131 T 7.52 4.60 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 1.26 0.00 0.00 132 K 9.23 3.77 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.80 4.57 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.22 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 0.00 135 N 8.24 5.31 0.00 2.69 2.65 0.00 0.00 6.94 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.96 4.02 0.00 1.82 1.81 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.22 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.87 4.04 1.40 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 0.00 0.00 139 E 8.49 3.86 0.00 2.04 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 2.31 2.32 0.00 140 A 8.60 4.05 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 0.00 141 A 8.25 3.91 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 0.00 142 L 8.05 3.91 0.00 1.99 1.72 0.91 0.50 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 0.00 143 T 8.10 3.94 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 1.30 0.00 0.00 144 A 7.98 4.01 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 0.00 145 L 7.87 3.88 0.00 1.86 1.90 1.00 0.85 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 0.00 146 E 8.47 4.19 0.00 2.00 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 2.32 2.24 0.00 147 M 7.93 4.04 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.76 3.68 2.04 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 1.69 0.85 0.92 0.00 0.00 149 N 7.96 4.31 0.00 2.92 2.86 0.00 0.00 6.73 9.03 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 0.00 150 V 7.88 3.58 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 0.83 0.00 0.00 1.01 0.00 0.00 151 L 8.55 4.08 0.00 1.85 1.67 0.96 0.90 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 0.00 152 K 8.20 3.96 0.00 1.84 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 153 A 8.05 4.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.87 3.86 1.87 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 1.16 0.75 0.91 0.00 0.00