NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2162 8.3144 119.9975 56.1025 34.3547 175.0188 4 V 3.5619 7.7478 120.3251 61.7550 31.8479 173.9295 5 P 4.4029 0.0000 0.0000 62.8010 34.0378 176.2991 6 R 3.9943 8.7948 121.3483 60.0519 29.8316 178.3733 7 N 4.2843 8.2076 115.2454 56.6719 38.5748 177.3276 8 F 4.2512 8.0039 118.3151 60.1482 39.0650 177.7444 9 R 4.0223 8.3550 118.7117 59.4890 29.9112 178.5170 10 L 4.2285 8.3179 118.8794 58.0251 41.7337 179.5829 11 L 4.1544 8.4121 119.0723 57.5538 40.9669 179.1776 12 E 4.0515 8.4800 119.4097 59.6377 29.7317 178.9278 13 E 4.3065 8.6041 118.3960 59.0904 29.3793 179.1214 14 L 4.4049 8.5456 121.0248 58.2046 42.1474 178.5806 15 E 4.0234 8.3679 118.4259 59.6041 29.5231 179.2830 16 K 4.3450 8.1521 117.3990 59.8680 32.0033 179.6794 17 G 3.0990 8.1952 104.7807 47.5524 0.0000 175.2545 18 E 4.1296 8.2456 119.8609 57.8292 29.6877 178.1926 19 K 4.1088 7.9326 116.8438 54.8981 32.1608 176.8442 20 G 3.8172 7.4883 105.7768 46.3250 0.0000 175.8691 21 F 4.7712 7.1898 118.9782 55.5121 36.0756 174.1403 22 G 4.1018 7.4037 111.5110 44.0453 0.0000 169.0010 23 P 4.4642 0.0000 0.0000 62.5339 31.6636 177.4732 24 E 4.1482 8.6761 119.5265 58.7887 29.7913 178.3036 25 S 4.4366 8.0608 113.4186 60.4302 64.1441 173.6477 26 C 5.8044 7.9074 116.6625 57.2971 32.2127 173.4235 27 S 4.7274 8.4659 114.4750 57.3894 65.8186 172.3564 28 Y 5.3780 7.4008 122.4287 56.3340 41.0516 174.2199 29 G 4.1040 8.7483 106.0680 46.4577 0.0000 172.3233 30 L 3.9327 7.5465 119.1468 53.8242 42.2845 178.3940 31 A 3.9016 8.3318 126.2218 54.9837 18.3092 177.6499 32 D 4.5867 7.1897 111.4749 52.5633 42.2187 175.8060 33 S 4.4848 8.5786 115.3373 58.9072 63.0057 174.3684 34 D 4.5146 7.5991 121.4933 55.7625 41.9569 176.2167 35 D 4.4599 7.6849 117.6349 53.2646 39.8800 176.3296 36 I 3.6472 8.1564 127.6030 63.4137 38.1725 176.7714 37 T 4.1205 8.0995 108.6523 61.9079 69.2986 174.1802 38 M 3.0844 7.7940 121.4262 56.9720 30.3110 178.1477 39 T 4.4189 8.2579 116.5609 66.1677 70.3573 176.1374 40 K 4.8588 7.9762 120.8468 54.8863 34.1298 176.0008 41 W 5.4187 9.4153 124.1731 55.0213 33.5420 174.0818 42 N 5.4762 9.3375 119.8493 51.7625 41.4795 173.9088 43 G 4.7475 8.9382 107.7957 45.1667 0.0000 171.2027 44 T 5.9378 8.9289 108.6417 60.3002 72.7835 173.2702 45 I 5.4477 8.5287 123.3839 59.5047 41.4566 173.9260 46 L 4.5794 8.7061 128.2535 54.5100 41.6503 176.8830 47 G 4.3933 8.7201 110.1886 45.5834 0.0000 171.5497 48 P 4.7417 0.0000 0.0000 61.3603 32.7821 174.3191 49 P 4.3533 0.0000 0.0000 64.2518 31.9755 175.2481 50 H 4.0967 8.3400 117.5463 54.0424 24.9854 173.4936 51 S 4.6281 7.0880 117.8765 58.1740 66.5510 178.0083 52 N 4.4798 8.7255 118.3141 56.8365 38.7878 176.9068 53 H 4.3643 8.4567 115.3055 59.0810 28.7712 174.9478 54 E 4.3361 7.4563 117.4204 57.6469 29.4266 176.6611 55 N 4.4057 9.3409 123.8938 53.7254 37.3055 173.2553 56 R 4.5747 7.3359 111.3253 53.9354 33.1629 173.7733 57 I 4.3704 8.2422 123.1285 60.6955 38.2393 174.8050 58 Y 4.9062 9.2242 127.2178 57.1771 39.3664 174.9877 59 S 5.1868 9.1176 121.8306 57.4757 64.6853 173.7372 60 L 5.1889 8.9006 124.1335 52.8267 46.0299 175.0945 61 S 5.1735 9.1177 114.9839 56.6410 65.0761 172.6173 62 I 4.7958 9.0655 127.9167 59.5498 40.2004 173.9300 63 D 4.9610 9.1826 128.1315 53.1830 42.4260 175.2071 64 C 4.3852 8.8386 126.3527 57.7252 27.9540 174.1703 65 G 3.8599 8.3226 113.8917 44.3314 0.0000 170.4654 66 P 4.4107 0.0000 0.0000 64.5049 31.4112 176.4907 67 N 4.8462 7.9406 116.7986 53.2475 39.3537 173.1171 68 Y 4.5598 8.1320 117.8116 56.9366 38.9362 173.6054 69 P 3.6790 0.0000 0.0000 62.3192 31.8655 177.0865 70 D 4.3744 8.0815 120.3181 57.1515 40.7178 176.7907 71 S 4.7246 7.9764 114.7499 55.5886 64.8093 172.2251 72 P 2.9700 0.0000 0.0000 61.4149 31.5896 173.5847 73 P 4.5558 0.0000 0.0000 61.6843 33.7313 174.7419 74 K 4.3931 8.5056 119.2962 54.9060 33.3963 176.5891 75 V 4.6384 7.9843 124.7898 62.1785 34.5841 174.6597 76 T 4.6134 7.8382 117.7301 62.5960 73.5704 172.9137 77 F 4.3761 8.9625 127.0252 57.9224 39.1672 175.5452 78 I 4.1671 9.2043 125.9726 64.4768 37.8990 176.5558 79 S 4.6008 8.2362 116.9354 58.2022 63.2819 174.2665 80 K 2.9938 8.5579 124.6906 56.8788 32.5067 176.0878 81 I 4.1031 6.8161 121.9092 60.9104 40.6499 174.3855 82 N 4.8579 7.9366 118.9801 51.8695 39.1493 172.9638 83 L 4.6935 7.3897 121.4404 51.5482 45.0202 175.2192 84 P 4.3436 0.0000 0.0000 65.9658 31.7047 178.4422 85 C 4.3704 8.1209 111.8657 59.8223 30.2969 172.4077 86 V 4.9164 7.4629 120.1286 59.5533 33.0555 175.2578 87 N 4.2602 8.8829 124.0229 53.5530 39.1388 174.0010 88 P 4.5189 0.0000 0.0000 64.7718 31.9304 176.7940 89 T 4.5478 7.8167 106.4883 63.2337 70.6161 175.6138 90 T 3.7909 7.6667 110.9381 64.7040 69.3498 175.6310 91 G 3.2991 7.1893 108.8942 43.8938 0.0000 173.3051 92 E 4.3456 7.8349 120.0766 56.5555 30.7664 176.3167 93 V 4.3703 7.7796 123.8031 61.7861 32.3638 175.8319 94 Q 4.2743 9.2533 128.2570 56.4714 29.3465 178.3466 95 T 4.0958 8.7676 112.9122 63.6275 68.9648 174.8105 96 D 4.5126 7.9982 121.0831 54.9260 40.3367 176.5776 97 F 4.3072 8.3329 123.4377 58.7671 39.7527 175.1839 98 H 3.9344 8.7143 123.4581 59.2396 28.1887 176.5056 99 T 3.9774 5.7900 115.1037 66.1626 68.4013 175.7720 100 L 4.2826 7.8785 120.4715 57.7793 42.1030 177.9629 101 R 4.2121 8.2768 114.5206 56.9689 30.3349 177.1644 102 D 4.7591 8.3400 119.1425 54.7669 39.8418 174.7661 103 W 3.9657 7.8538 126.9313 56.6095 31.5048 174.7683 104 K 4.3069 5.6600 124.5449 53.7523 34.9631 176.3960 105 R 4.0018 8.8304 122.5873 58.6933 29.8148 177.7565 106 A 4.0097 7.5650 118.4161 54.4334 18.5455 177.0960 107 Y 4.2094 7.2970 113.8197 58.0347 38.4290 175.4021 108 T 4.8662 7.5551 110.5209 59.6718 73.2843 174.6519 109 M 4.0960 8.6202 120.8773 58.1311 31.7383 179.0049 110 E 3.6966 7.6023 119.5227 59.4507 29.9708 178.7161 111 T 3.8239 7.8378 109.8440 64.4646 68.6323 176.1163 112 L 4.0341 8.2928 123.5356 58.1700 42.0165 178.9937 113 L 4.0545 7.7577 117.3913 57.9046 41.7351 179.1572 114 L 4.1306 8.0964 118.9676 57.9229 41.5443 179.0262 115 D 4.3343 8.5244 118.9496 57.6497 40.6257 178.9886 116 L 4.0478 7.8250 119.7043 57.4507 42.4445 178.3612 117 R 4.1673 8.8015 119.4899 58.7694 29.7721 178.2443 118 K 3.9269 8.1972 117.4430 59.8232 32.3653 178.5819 119 E 4.1712 7.9054 117.3514 58.3221 29.4912 177.2981 120 M 4.3580 8.0287 119.1479 54.4692 33.4539 176.6567 121 A 3.5093 8.7325 119.1225 53.1661 17.0392 178.1362 122 T 3.5721 8.1437 103.2215 61.6137 65.7883 169.7456 123 P 4.5904 0.0000 0.0000 60.2719 30.8991 177.4313 124 A 4.7106 6.6642 128.0567 52.4771 20.7747 178.5182 125 N 4.9426 7.7114 111.5322 54.5776 38.9345 174.7174 126 K 5.0862 7.0567 122.6344 57.4734 30.7165 175.1965 127 K 4.2030 9.1430 118.7338 55.9506 32.7137 182.9080 128 L 3.0587 7.3233 115.9102 53.2478 43.1211 174.3412 129 R 4.8996 5.8400 134.5531 56.5532 34.4860 173.2279 130 Q 4.6622 7.9403 125.1701 53.5478 30.8884 174.2770 131 P 4.3273 0.0000 0.0000 64.0272 32.2674 178.2186 132 K 3.3947 8.1150 119.6561 55.5023 31.7041 174.3696 133 E 3.8275 8.7215 114.4243 57.5352 28.6753 175.1421 134 G 3.9853 8.4839 112.6859 46.5299 0.0000 173.3182 135 E 4.0978 7.8175 120.0960 56.4682 30.1358 176.0029 136 T 4.9473 8.2681 118.7899 59.6690 70.7724 173.4650 137 F 4.6254 8.9960 125.4862 58.0086 38.5409 175.1645 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 3 K 8.31 4.22 0.00 1.89 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 V 7.75 3.56 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 0.90 0.00 0.00 0.95 0.00 0.00 5 P 0.00 4.40 0.00 2.51 2.12 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 6 R 8.79 3.99 0.00 2.02 2.02 0.00 3.33 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.04 0.00 7 N 8.21 4.28 0.00 2.51 2.50 0.00 0.00 7.08 8.13 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 8 F 8.00 4.25 0.00 3.29 3.16 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 9 R 8.35 4.02 0.00 2.11 2.07 0.00 3.38 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 10 L 8.32 4.23 0.00 2.18 2.13 1.10 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.41 4.15 0.00 2.00 1.86 0.77 0.81 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 12 E 8.48 4.05 0.00 2.42 2.38 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 2.42 2.46 0.00 13 E 8.60 4.31 0.00 2.30 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 2.43 2.66 0.00 14 L 8.55 4.40 0.00 2.22 2.05 0.75 0.72 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 15 E 8.37 4.02 0.00 2.45 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 0.00 2.45 2.64 0.00 16 K 8.15 4.34 0.00 2.27 2.16 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.77 1.85 7.81 17 G 8.20 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 0.00 0.00 0.00 18 E 8.25 4.13 0.00 1.88 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 2.25 2.55 0.00 19 K 7.93 4.11 0.00 0.79 0.74 0.00 1.76 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.59 7.81 20 G 7.49 3.82 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 0.00 0.00 0.00 21 F 7.19 4.77 0.00 3.15 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 22 G 7.40 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 23 P 0.00 4.46 0.00 2.28 2.24 0.00 3.81 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 2.16 2.05 0.00 24 E 8.68 4.15 0.00 1.99 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 2.33 2.25 0.00 25 S 8.06 4.44 0.00 3.94 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 0.00 26 C 7.91 5.80 0.00 2.93 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 27 S 8.47 4.73 0.00 3.92 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 28 Y 7.40 5.38 0.00 3.16 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 29 G 8.75 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 30 L 7.55 3.93 0.00 1.39 1.35 0.62 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.33 3.90 1.29 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 0.00 0.00 0.00 32 D 7.19 4.59 0.00 2.80 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 33 S 8.58 4.48 0.00 3.94 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 D 7.60 4.51 0.00 2.67 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 35 D 7.68 4.46 0.00 2.71 2.51 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 36 I 8.16 3.65 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.89 0.00 0.00 37 T 8.10 4.12 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 1.21 0.00 0.00 38 M 7.79 3.08 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.36 0.00 39 T 8.26 4.42 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 1.27 0.00 0.00 40 K 7.98 4.86 0.00 1.73 1.74 0.00 1.49 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.52 7.81 41 W 9.42 5.42 0.00 3.22 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 42 N 9.34 5.48 0.00 2.64 2.73 0.00 0.00 6.75 8.39 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 43 G 8.94 4.75 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 44 T 8.93 5.94 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 1.26 0.00 0.00 45 I 8.53 5.45 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.11 1.06 0.00 0.00 46 L 8.71 4.58 0.00 1.57 1.61 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.72 4.39 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 0.00 48 P 0.00 4.74 0.00 2.16 2.03 0.00 3.72 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 2.27 2.15 0.00 49 P 0.00 4.35 0.00 2.00 1.99 0.00 3.93 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 50 H 8.34 4.10 0.00 3.36 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.09 4.63 0.00 3.88 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 52 N 8.73 4.48 0.00 2.60 2.85 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 53 H 8.46 4.36 0.00 3.23 3.35 0.00 5.66 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 54 E 7.46 4.34 0.00 2.23 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 2.27 2.23 0.00 55 N 9.34 4.41 0.00 2.86 2.91 0.00 0.00 6.96 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 56 R 7.34 4.57 0.00 1.67 1.83 0.00 3.00 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.00 57 I 8.24 4.37 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.92 0.00 0.00 58 Y 9.22 4.91 0.00 3.21 3.15 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 0.00 59 S 9.12 5.19 0.00 3.89 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 60 L 8.90 5.19 0.00 1.45 1.31 1.02 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.12 5.17 0.00 3.81 3.77 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 62 I 9.07 4.80 1.86 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 1.01 0.67 0.67 0.00 0.00 63 D 9.18 4.96 0.00 2.85 2.48 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 0.00 0.00 0.00 0.00 64 C 8.84 4.39 0.00 2.65 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 65 G 8.32 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 66 P 0.00 4.41 0.00 2.21 2.21 0.00 3.73 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 2.00 1.96 0.00 67 N 7.94 4.85 0.00 2.80 2.77 0.00 0.00 6.84 7.56 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 68 Y 8.13 4.56 0.00 2.95 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 69 P 0.00 3.68 0.00 1.96 1.08 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 70 D 8.08 4.37 0.00 2.90 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 71 S 7.98 4.72 0.00 3.81 3.65 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 0.00 0.00 0.00 0.00 72 P 0.00 2.97 0.00 1.59 1.38 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 73 P 0.00 4.56 0.00 1.81 1.70 0.00 2.35 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 74 K 8.51 4.39 0.00 1.63 1.69 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.27 7.81 75 V 7.98 4.64 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 0.74 0.00 0.00 0.84 0.00 0.00 76 T 7.84 4.61 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 1.15 0.00 0.00 77 F 8.96 4.38 0.00 3.10 3.43 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 78 I 9.20 4.17 2.10 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 1.28 0.99 0.99 0.00 0.00 79 S 8.24 4.60 0.00 4.02 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 80 K 8.56 2.99 0.00 1.60 1.43 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.69 1.14 7.81 81 I 6.82 4.10 1.09 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.07 0.08 0.00 0.00 82 N 7.94 4.86 0.00 2.70 2.59 0.00 0.00 7.08 7.64 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 83 L 7.39 4.69 0.00 1.39 1.44 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.34 0.00 2.19 2.08 0.00 3.60 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 2.12 2.07 0.00 85 C 8.12 4.37 0.00 2.96 3.23 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 86 V 7.46 4.92 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 0.59 0.00 0.00 0.97 0.00 0.00 87 N 8.88 4.26 0.00 2.75 2.65 0.00 0.00 6.84 8.52 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 88 P 0.00 4.52 0.00 2.11 2.15 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 89 T 7.82 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 1.25 0.00 0.00 90 T 7.67 3.79 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 1.18 0.00 0.00 91 G 7.19 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 0.00 0.00 0.00 92 E 7.83 4.35 0.00 1.91 1.82 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 2.25 2.14 0.00 93 V 7.78 4.37 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 0.57 0.00 0.00 0.85 0.00 0.00 94 Q 9.25 4.27 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 95 T 8.77 4.10 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 1.20 0.00 0.00 96 D 8.00 4.51 0.00 2.86 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 97 F 8.33 4.31 0.00 3.11 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 98 H 8.71 3.93 0.00 3.12 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 5.79 3.98 4.33 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 1.28 0.00 0.00 100 L 7.88 4.28 0.00 1.96 1.79 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.28 4.21 0.00 2.03 2.34 0.00 2.87 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.63 0.00 102 D 8.34 4.76 0.00 3.24 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 0.00 103 W 7.85 3.97 0.00 3.73 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 0.00 104 K 5.66 4.31 0.00 1.24 0.74 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.19 7.81 105 R 8.83 4.00 0.00 1.69 1.86 0.00 3.08 0.00 0.00 3.02 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 106 A 7.56 4.01 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 0.00 107 Y 7.30 4.21 0.00 1.43 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 0.00 108 T 7.56 4.87 4.41 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 1.23 0.00 0.00 109 M 8.62 4.10 0.00 1.73 1.53 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 110 E 7.60 3.70 0.00 1.84 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 2.44 2.59 0.00 111 T 7.84 3.82 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 1.11 0.00 0.00 112 L 8.29 4.03 0.00 2.10 2.04 1.15 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.76 4.05 0.00 1.72 1.79 1.05 0.80 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 0.00 114 L 8.10 4.13 0.00 1.88 1.72 0.94 0.97 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 0.00 115 D 8.52 4.33 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 0.00 116 L 7.82 4.05 0.00 1.98 1.85 0.23 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.80 4.17 0.00 2.09 2.07 0.00 3.23 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 118 K 8.20 3.93 0.00 2.06 1.96 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.73 7.81 119 E 7.91 4.17 0.00 2.31 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 2.60 2.70 0.00 120 M 8.03 4.36 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.48 0.00 121 A 8.73 3.51 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 0.00 122 T 8.14 3.57 4.28 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 1.32 0.00 0.00 123 P 0.00 4.59 0.00 2.11 2.06 0.00 3.91 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 2.09 2.15 0.00 124 A 6.66 4.71 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 0.00 125 N 7.71 4.94 0.00 2.96 3.01 0.00 0.00 5.63 6.86 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 0.00 126 K 7.06 5.09 0.00 1.84 1.70 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.53 7.81 127 K 9.14 4.20 0.00 1.82 1.76 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.53 7.81 128 L 7.32 3.06 0.00 1.69 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 129 R 5.84 4.90 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00 130 Q 7.94 4.66 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 131 P 0.00 4.33 0.00 1.94 2.40 0.00 3.74 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 132 K 8.11 3.39 0.00 1.93 1.44 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 133 E 8.72 3.83 0.00 2.06 1.91 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 2.23 2.40 0.00 134 G 8.48 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 0.00 0.00 0.00 135 E 7.82 4.10 0.00 2.10 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 2.29 2.23 0.00 136 T 8.27 4.95 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 1.24 0.00 0.00 137 F 9.00 4.63 0.00 3.31 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