NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4106 8.2893 120.3486 55.3700 33.0512 174.7653 2 N 4.6616 8.5727 124.0265 51.4928 38.9341 173.0013 3 I 4.6097 8.7737 120.8750 59.6060 41.9784 176.2314 4 I 4.3863 8.3393 123.9379 59.5810 38.5897 175.1729 5 K 4.4640 8.6265 124.7499 54.3979 34.2249 176.0564 6 A 4.6013 8.4014 126.2430 50.7099 21.2565 175.0186 7 N 5.0482 8.1773 116.8346 51.9158 41.4797 175.6904 8 V 3.9240 8.1738 114.1259 62.6278 32.2901 176.8621 9 A 4.1718 8.1639 123.4262 52.0663 18.7676 177.7397 10 A 4.5877 8.2143 120.6821 51.3857 21.5233 174.2364 11 P 4.6562 0.0000 0.0000 64.7777 32.2169 178.8031 12 D 4.7616 8.0716 115.7541 54.2903 40.5459 175.7729 13 A 4.6187 7.6126 124.7395 51.8531 20.1303 178.3041 14 R 4.8402 9.5699 120.8367 55.1138 32.6905 175.7858 15 V 4.9433 8.9116 124.3914 59.9997 34.8621 173.9443 16 A 4.9177 8.5732 128.5264 50.0788 21.5418 175.2191 17 I 4.7982 8.7373 123.6367 59.5655 39.5218 174.6887 18 T 4.8445 8.5673 117.7810 59.9880 70.8414 173.3832 19 I 5.2258 8.1652 126.6238 58.2200 40.5104 174.5508 20 A 5.0831 8.4550 128.0122 51.3478 19.0434 177.9743 21 R 4.4262 9.3249 119.6705 58.4138 30.2429 176.8980 22 F 4.6096 8.1828 121.6092 59.9055 39.6788 174.3702 23 N 4.6967 9.8315 124.0248 54.3568 35.5726 176.0762 24 Q 4.2278 8.3047 120.3049 59.4587 28.0503 178.1150 25 F 4.0201 8.5121 121.4995 60.9539 39.4595 176.3196 26 I 4.2306 8.3535 119.0433 63.6853 37.4067 177.7667 27 N 4.3934 8.2739 116.5462 56.1869 38.2407 177.0105 28 D 4.5200 8.7200 120.9231 57.6152 40.9825 178.7541 29 S 4.0731 7.9655 113.0146 61.0236 62.4097 175.4639 30 L 4.0508 7.7915 123.2327 58.7041 41.6674 178.2290 31 L 3.8718 8.5247 120.5700 57.5645 41.9034 178.8068 32 D 4.4984 8.4437 118.5077 57.2030 40.9243 179.7974 33 G 3.5770 8.1070 105.9371 47.7611 0.0000 175.3161 34 A 3.9361 7.8905 123.3903 54.7353 18.4249 179.2588 35 V 3.4413 7.9276 116.7517 66.3658 31.5426 177.3047 36 D 4.3106 8.2104 117.1031 57.6706 41.0289 177.8876 37 A 3.9486 8.2263 121.0415 55.6607 18.3177 179.0656 38 L 3.8998 8.4128 116.9698 59.1844 41.8522 179.7236 39 T 4.1916 8.2529 111.1558 63.9363 68.5215 176.1635 40 R 3.8579 8.2654 123.5994 58.2148 30.3819 178.3910 41 I 4.2456 7.6986 117.8545 63.3496 38.1988 177.6555 42 G 3.8641 7.7963 103.6685 44.0292 0.0000 173.9377 43 Q 3.6822 8.0095 120.7693 56.4550 27.9061 172.8552 44 V 3.7546 7.5455 116.9735 62.0244 32.1844 175.1754 45 K 4.4055 8.5911 128.8879 56.1848 32.4801 176.7682 46 D 4.7033 8.8324 123.8921 54.2080 39.0087 176.1603 47 D 4.8011 7.9721 117.2146 53.7306 40.1255 176.3068 48 N 4.7105 8.6866 117.6269 53.6389 39.2941 174.0450 49 I 4.9427 7.5823 120.2785 60.1269 38.5206 175.1445 50 T 4.7058 8.8048 117.3853 59.6966 71.8590 173.0320 51 V 4.5707 8.4078 123.7957 61.0762 34.0825 174.5884 52 V 4.2783 8.9410 129.3891 60.7348 33.4770 174.5943 53 W 4.6802 8.9372 129.1295 56.7795 29.5044 176.5500 54 V 4.3205 8.6261 119.0441 59.1409 33.6067 174.6829 55 P 4.3327 0.0000 0.0000 65.0274 31.2772 176.8583 56 G 4.4721 7.9658 108.4761 42.8881 0.0000 174.1586 57 A 4.0969 8.5001 120.8965 54.8377 18.0917 179.3700 58 Y 4.2093 8.1382 117.1390 60.6924 39.2077 177.3862 59 E 4.0933 8.2142 118.7544 57.9111 29.5878 178.4933 60 L 3.9065 7.6025 119.9639 58.0557 41.6243 177.1131 61 P 4.1626 0.0000 0.0000 65.1563 31.2122 177.8790 62 L 3.8725 7.7964 117.8681 58.4799 42.0812 179.2502 63 A 3.9769 7.8610 120.2858 55.5557 18.3099 179.8034 64 T 3.8007 8.0978 108.4557 64.6014 68.6889 176.0448 65 E 3.8428 9.0029 122.7758 59.1936 29.6089 178.3331 66 A 4.0094 7.9522 120.4927 55.6576 18.1882 179.6236 67 L 4.0918 7.5756 114.8027 57.8864 41.9366 179.4771 68 A 4.2330 8.3488 120.9338 55.1011 18.2314 179.8270 69 K 3.9471 8.2222 116.3010 59.5917 32.1496 178.9392 70 S 4.1949 8.0749 112.9336 59.5560 61.9832 175.9522 71 G 3.9674 8.4734 110.6050 46.3143 0.0000 176.0783 72 K 3.9113 7.7080 120.2414 56.2966 31.8694 182.1838 73 Y 5.1207 6.9877 113.9811 56.8752 40.6874 175.4445 74 D 4.7331 9.3362 122.0496 56.0097 41.8319 176.4227 75 A 4.5462 7.3922 117.4038 51.2154 22.5631 175.0600 76 V 4.7089 8.3076 119.9382 61.0345 34.6215 174.5163 77 V 4.4059 8.7560 128.2669 61.4971 33.3087 174.2061 78 A 4.9071 8.5592 130.4749 49.8012 20.6833 175.2776 79 L 5.3358 7.9839 123.1178 52.7447 44.4176 176.3987 80 G 4.1938 7.7362 108.4070 45.9395 0.0000 171.8436 81 T 5.0921 8.5385 116.1191 61.5259 71.8816 174.4453 82 V 4.2115 9.0468 125.1636 61.3111 34.0134 173.8133 83 I 4.6318 8.1654 128.5226 59.6549 38.5782 175.9790 84 R 3.6748 8.4295 127.8504 56.5766 30.2920 176.3108 85 G 4.4344 8.3405 116.1207 44.2539 0.0000 172.8732 86 G 3.6395 8.7873 107.6156 47.5175 0.0000 173.4639 87 T 4.5136 7.5828 108.3542 59.6877 71.4943 173.5911 88 A 4.4472 8.3712 121.3517 52.7940 18.6549 178.6939 89 H 4.2771 8.3362 120.1153 60.2901 29.8754 176.8832 90 F 4.0142 8.4683 121.9610 61.5344 39.0137 176.5603 91 E 3.6211 7.9605 118.2872 59.6031 29.3529 178.4047 92 Y 4.3125 7.4131 115.7820 60.8835 38.2543 177.2895 93 V 3.6765 7.7617 119.6124 65.6924 31.5321 177.6996 94 A 4.0894 7.9747 120.3050 55.2807 18.1458 179.6112 95 G 3.6249 8.1637 104.7453 47.6945 0.0000 176.0358 96 G 3.8762 8.6718 108.4447 45.9560 0.0000 174.7757 97 A 4.2889 7.8142 122.4050 54.3823 19.6765 179.1172 98 S 4.1588 8.2323 111.7850 61.8328 62.3450 176.2523 99 N 4.4259 8.5185 119.3765 56.0239 38.3665 177.2975 100 G 3.7855 7.7481 107.0967 48.1995 0.0000 175.4379 101 L 4.0053 8.1010 121.5191 57.2218 41.8625 179.6466 102 A 4.0035 8.0287 120.6019 55.0357 18.2683 179.6624 103 S 3.9590 8.3585 111.8703 61.5107 62.4709 176.1034 104 V 3.5421 7.7598 120.7752 66.2593 31.0795 177.5677 105 A 4.4040 7.7730 120.9515 54.8137 18.0057 179.4341 106 Q 3.8860 7.6450 115.9584 59.1779 29.1219 177.8941 107 D 4.5210 8.0091 119.4248 57.0884 41.2727 178.5195 108 S 4.3493 8.3681 112.7980 58.6849 63.4441 175.4667 109 G 3.8817 8.1173 109.6378 45.7740 0.0000 173.7366 110 V 3.9773 7.5770 120.9761 61.6077 32.9958 173.6126 111 P 4.5947 0.0000 0.0000 62.6101 32.5640 175.1758 112 V 4.8182 8.3618 123.4572 61.0160 33.9918 174.3158 113 A 4.3640 9.0061 130.8718 51.1760 20.0781 176.3205 114 F 4.7923 9.0381 126.7531 56.3890 38.3867 175.8314 115 G 3.9560 8.1030 118.1553 44.9218 0.0000 171.0175 116 V 4.5176 6.1010 117.4892 60.5367 33.9256 176.0803 117 L 4.2367 8.8121 129.6661 55.1736 42.7231 176.7132 118 T 5.3884 8.7353 112.7434 58.7457 68.8406 172.6249 119 T 4.5963 8.1624 120.9438 61.0695 72.0534 175.0892 120 E 4.1520 9.7639 120.5536 57.2117 30.5391 177.2385 121 S 4.7147 7.5981 112.0354 55.5450 67.6320 174.7792 122 I 3.6742 8.2339 123.2300 64.3316 36.6986 177.9306 123 E 3.9146 8.2662 119.8034 59.8429 29.0913 179.0650 124 Q 4.1659 7.8628 115.9269 58.7070 29.0225 178.1970 125 A 4.1610 7.8238 121.7381 55.4219 18.3581 179.6562 126 I 3.7438 7.8537 118.1967 64.7630 37.1377 178.5291 127 E 4.5538 8.0185 120.5025 58.0227 29.2801 178.4131 128 R 4.5476 7.9705 115.7386 55.5783 30.6289 176.5723 129 A 4.8350 7.3124 122.1004 52.6099 19.5679 177.1739 130 G 4.4520 8.1903 107.6698 48.0943 0.0000 175.3466 131 T 4.6022 7.5019 115.0776 60.0915 68.8708 175.7850 132 K 3.8082 9.1637 117.1437 59.3479 31.7932 177.9164 133 A 4.5727 7.8332 119.3006 52.0681 20.0037 178.9437 134 G 3.7479 8.2076 110.4781 47.3728 0.0000 173.9764 135 N 5.2668 8.2331 117.3724 50.8549 40.8050 175.4614 136 K 3.9608 8.9265 128.7316 59.1644 32.0864 178.9456 137 G 4.0612 8.3282 107.5335 47.2896 0.0000 175.5500 138 A 4.0299 7.9002 123.3181 54.3417 18.4184 179.2551 139 E 3.8485 8.5218 117.9430 59.4167 29.7544 178.9252 140 A 4.0490 8.5415 122.3913 54.4269 18.4047 179.3614 141 A 3.8972 8.2120 119.5231 55.3445 18.3922 179.9292 142 L 3.9240 8.0218 117.6191 58.1936 41.2398 179.9212 143 T 3.8554 8.1474 109.3544 64.5693 68.5080 176.1220 144 A 3.9855 7.9256 124.0814 54.9436 18.3836 179.0413 145 L 3.8756 7.9072 116.7016 58.2056 41.8687 179.3226 146 E 4.1681 8.2916 120.1031 59.0624 29.4421 178.9608 147 M 4.0383 7.9353 117.8407 58.4311 31.9941 178.4394 148 I 3.6891 7.7035 119.8968 64.8515 37.2739 178.1940 149 N 4.3312 7.9781 116.4966 56.2142 38.1642 177.5696 150 V 3.5877 7.9874 119.0446 66.1849 31.7466 177.8373 151 L 4.0733 8.4456 118.9800 57.6070 41.3516 179.1574 152 K 3.8442 8.0945 118.7897 59.6063 32.1404 177.2694 153 A 4.4552 8.1681 120.2274 51.7381 19.2476 177.2664 154 I 3.8887 7.8897 121.0590 63.1811 37.7262 173.9786 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 8.57 4.66 0.00 2.95 2.79 0.00 0.00 6.06 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 8.77 4.61 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 0.82 0.91 0.00 0.00 4 I 8.34 4.39 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 0.60 0.91 0.00 0.00 5 K 8.63 4.46 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.40 4.60 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 7 N 8.18 5.05 0.00 2.73 2.64 0.00 0.00 6.87 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 8.17 3.92 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.16 4.17 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 10 A 8.21 4.59 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.66 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 8.07 4.76 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 7.61 4.62 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 14 R 9.57 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 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 8.91 4.94 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.57 4.92 0.27 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 17 I 8.74 4.80 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 0.69 0.00 0.00 18 T 8.57 4.84 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 8.17 5.23 0.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.20 0.38 0.00 0.00 20 A 8.45 5.08 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 21 R 9.32 4.43 0.00 2.06 2.48 0.00 2.86 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.18 4.61 0.00 3.16 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 9.83 4.70 0.00 2.97 3.00 0.00 0.00 6.87 7.74 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 24 Q 8.30 4.23 0.00 2.51 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 25 F 8.51 4.02 0.00 3.13 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 26 I 8.35 4.23 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.98 0.95 0.00 0.00 27 N 8.27 4.39 0.00 2.88 2.92 0.00 0.00 7.08 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 8.72 4.52 0.00 2.66 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 29 S 7.97 4.07 0.00 3.81 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 30 L 7.79 4.05 0.00 1.93 1.62 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.52 3.87 0.00 1.78 1.77 0.76 1.05 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 32 D 8.44 4.50 0.00 2.88 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 8.11 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.89 3.94 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 35 V 7.93 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 0.97 0.00 0.00 0.95 0.00 0.00 36 D 8.21 4.31 0.00 2.82 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 37 A 8.23 3.95 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 38 L 8.41 3.90 0.00 1.86 1.74 0.89 0.62 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 8.25 4.19 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 1.24 0.00 0.00 40 R 8.27 3.86 0.00 1.83 2.24 0.00 3.24 0.00 0.00 3.44 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 7.70 4.25 2.07 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 0.97 0.91 0.00 0.00 42 G 7.80 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 43 Q 8.01 3.68 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.55 3.75 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 1.00 0.00 0.00 45 K 8.59 4.41 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.87 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 8.83 4.70 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.97 4.80 0.00 2.78 2.80 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 48 N 8.69 4.71 0.00 2.86 2.99 0.00 0.00 6.91 7.35 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 49 I 7.58 4.94 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.80 4.71 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 1.52 0.00 0.00 51 V 8.41 4.57 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 0.46 0.00 0.00 0.83 0.00 0.00 52 V 8.94 4.28 1.98 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.94 4.68 0.00 3.21 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 54 V 8.63 4.32 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 0.83 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.30 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 2.04 0.00 56 G 7.97 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 0.00 0.00 0.00 0.00 57 A 8.50 4.10 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 58 Y 8.14 4.21 0.00 2.92 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.21 4.09 0.00 2.01 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 2.66 2.58 0.00 60 L 7.60 3.91 0.00 1.78 1.70 0.87 1.00 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 61 P 0.00 4.16 0.00 2.03 1.88 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 62 L 7.80 3.87 0.00 1.63 1.67 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.86 3.98 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 64 T 8.10 3.80 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 1.27 0.00 0.00 65 E 9.00 3.84 0.00 1.99 2.18 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 2.31 2.34 0.00 66 A 7.95 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 67 L 7.58 4.09 0.00 1.74 1.66 0.61 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.35 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 8.22 3.95 0.00 1.86 1.90 0.00 1.76 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 8.07 4.19 0.00 3.92 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.47 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 3.91 0.00 1.83 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.99 5.12 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.34 4.73 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 7.39 4.55 1.19 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 0.00 0.00 76 V 8.31 4.71 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 0.93 0.00 0.00 0.84 0.00 0.00 77 V 8.76 4.41 1.98 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.56 4.91 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 79 L 7.98 5.34 0.00 1.39 1.40 0.80 0.63 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 80 G 7.74 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 0.00 0.00 0.00 0.00 81 T 8.54 5.09 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 1.19 0.00 0.00 82 V 9.05 4.21 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 0.87 0.00 0.00 0.87 0.00 0.00 83 I 8.17 4.63 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 0.68 0.88 0.00 0.00 84 R 8.43 3.67 0.00 0.67 1.38 0.00 3.04 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.34 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 8.79 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 87 T 7.58 4.51 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 4.45 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 89 H 8.34 4.28 0.00 3.27 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 8.47 4.01 0.00 3.10 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 7.96 3.62 0.00 1.97 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 2.19 0.00 92 Y 7.41 4.31 0.00 2.98 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 93 V 7.76 3.68 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 7.97 4.09 0.98 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 0.00 0.00 95 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.67 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 97 A 7.81 4.29 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 98 S 8.23 4.16 0.00 3.71 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 99 N 8.52 4.43 0.00 2.80 2.83 0.00 0.00 6.94 8.40 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 0.00 100 G 7.75 3.79 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 0.00 0.00 0.00 101 L 8.10 4.01 0.00 1.89 1.82 1.02 0.87 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 0.00 102 A 8.03 4.00 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 0.00 103 S 8.36 3.96 0.00 3.95 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.76 3.54 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 1.06 0.00 0.00 0.97 0.00 0.00 105 A 7.77 4.40 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 7.64 3.89 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.01 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 8.37 4.35 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.12 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 0.00 110 V 7.58 3.98 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 0.96 0.00 0.00 0.98 0.00 0.00 111 P 0.00 4.59 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.83 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 8.36 4.82 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 0.99 0.00 0.00 113 A 9.01 4.36 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 0.00 114 F 9.04 4.79 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.10 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 0.00 0.00 0.00 116 V 6.10 4.52 1.25 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 0.66 0.00 0.00 -0.05 0.00 0.00 117 L 8.81 4.24 0.00 1.61 1.58 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.74 5.39 4.45 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 1.23 0.00 0.00 119 T 8.16 4.60 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 1.27 0.00 0.00 120 E 9.76 4.15 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 2.30 2.30 0.00 121 S 7.60 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 8.23 3.67 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 1.47 0.60 0.86 0.00 0.00 123 E 8.27 3.91 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.86 4.17 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 125 A 7.82 4.16 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 0.00 126 I 7.85 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 1.87 0.96 0.99 0.00 0.00 127 E 8.02 4.55 0.00 2.19 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 2.40 0.00 128 R 7.97 4.55 0.00 1.86 1.93 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 129 A 7.31 4.84 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 8.19 4.45 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 0.00 131 T 7.50 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 1.23 0.00 0.00 132 K 9.16 3.81 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.83 4.57 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.21 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.23 5.27 0.00 2.70 2.65 0.00 0.00 6.93 7.37 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 0.00 136 K 8.93 3.96 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.33 4.06 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 0.00 0.00 0.00 138 A 7.90 4.03 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 0.00 139 E 8.52 3.85 0.00 2.03 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 0.00 2.31 2.33 0.00 140 A 8.54 4.05 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 0.00 141 A 8.21 3.90 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 0.00 142 L 8.02 3.92 0.00 2.00 1.72 0.91 0.46 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 0.00 143 T 8.15 3.86 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 0.00 144 A 7.93 3.99 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 0.00 145 L 7.91 3.88 0.00 1.85 1.89 0.94 0.86 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 8.29 4.17 0.00 2.02 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 7.94 4.04 0.00 2.11 2.37 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 7.70 3.69 2.06 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 0.77 0.92 0.00 0.00 149 N 7.98 4.33 0.00 2.85 2.86 0.00 0.00 6.72 8.95 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 0.00 150 V 7.99 3.59 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 0.98 0.00 0.00 151 L 8.45 4.07 0.00 1.92 1.69 0.93 0.86 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 0.00 152 K 8.09 3.84 0.00 1.85 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.17 4.46 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 0.00 154 I 7.89 3.89 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 0.65 0.91 0.00 0.00