NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6310 8.4244 118.1168 52.7057 40.7406 174.2951 4 K 4.1051 7.6176 117.2359 54.6566 33.5786 173.7915 5 T 4.2588 8.6935 122.0098 62.3629 70.8756 173.5750 6 Y 4.7411 8.0877 122.1466 56.4131 40.4820 174.0141 7 E 4.9298 8.6191 120.2319 54.5516 32.9368 174.4363 8 I 3.8000 7.8029 123.1534 59.7377 37.9024 177.0442 9 S 4.4908 8.8218 121.5974 57.6534 65.0254 175.4622 10 S 4.4255 8.5708 117.7706 61.8961 62.8319 176.5630 11 A 4.2713 7.9265 122.9438 55.0621 18.2131 179.3059 12 E 3.8979 8.0492 116.5990 59.1926 29.4034 179.4921 13 W 4.2671 7.9376 118.6820 59.4300 28.9959 178.0681 14 E 4.1019 8.5635 119.8419 59.0753 29.0556 178.8663 15 V 3.5441 7.8239 117.8321 66.2116 31.7015 177.5029 16 M 3.4685 7.7691 118.3552 58.5211 31.7708 178.5758 17 N 4.9553 8.3455 116.3184 56.4919 38.6963 177.6721 18 I 3.7469 7.8227 121.1082 64.4217 37.1812 178.1564 19 I 3.6865 8.2830 121.1134 64.6360 36.7747 178.2809 20 W 4.5724 8.2032 118.2964 60.3487 28.9630 178.0069 21 M 4.3103 8.1618 117.3503 57.9677 32.0843 177.5623 22 K 4.3245 8.4912 116.8844 55.5755 32.5972 178.8990 23 K 4.2911 8.8648 123.4370 57.6421 31.7247 175.6830 24 Y 5.0550 8.4524 119.1178 57.1723 41.6652 174.0038 25 A 4.6610 8.4978 127.0363 50.6379 23.3337 175.8102 26 S 5.1530 9.1328 115.8661 57.6925 64.3486 174.9484 27 A 3.8530 9.1193 123.0561 55.7112 17.8575 179.7771 28 N 4.2211 8.1762 113.9582 56.6368 38.6516 176.7776 29 N 4.2542 8.0969 117.7070 56.8923 38.7537 177.5096 30 I 3.7535 7.9523 120.7451 64.2535 37.1197 178.7335 31 I 3.7074 8.1056 121.1481 64.3331 36.7558 177.8965 32 E 3.9000 8.1901 118.4661 59.7572 29.8003 179.0134 33 E 4.0953 7.9241 117.6458 59.7920 29.4282 179.7777 34 I 3.6238 7.7672 119.4578 64.2361 36.8661 178.3056 35 Q 4.3040 7.6835 118.9395 57.6941 28.5746 178.0782 36 M 4.1895 7.4981 119.4450 56.2434 32.3526 177.2717 37 Q 3.9768 7.8364 116.3108 56.4496 26.6287 179.0162 38 K 3.7588 8.8171 127.8031 57.5421 32.9703 175.2450 39 D 4.9433 7.7936 118.4091 51.7312 40.7941 174.1911 40 W 5.1544 7.6699 121.0863 53.6055 33.1523 176.0843 41 S 4.3623 8.4862 114.2277 57.7730 63.9415 173.5663 42 P 4.3527 0.0000 0.0000 64.9708 31.0622 179.3365 43 K 3.9771 8.6314 118.4129 60.1147 32.0942 178.5942 44 T 3.7025 8.0812 114.8102 67.3415 68.2538 175.8582 45 I 3.7938 8.3852 120.8754 64.9924 37.4126 178.8159 46 R 3.8594 8.1000 118.5132 59.4224 29.7358 179.3325 47 T 3.8275 7.7786 115.5951 66.4397 68.3612 176.6831 48 L 3.8442 7.8592 120.7714 57.8499 41.7059 179.2516 49 I 3.4338 7.5794 119.6818 64.9208 37.0587 178.1860 50 T 3.9192 7.7981 115.9247 66.8572 68.2412 176.7432 51 R 3.7992 8.1604 119.8789 59.3896 30.1502 179.1318 52 L 4.0040 8.0810 118.9210 57.8256 41.5066 179.1670 53 Y 4.2899 8.0076 119.4148 60.8898 38.6666 178.0770 54 K 3.6067 8.2678 118.1292 59.1577 32.1554 179.0503 55 K 3.5857 7.9793 117.6004 56.4736 32.2644 176.9596 56 G 3.6282 7.7076 106.9516 46.6989 0.0000 174.5697 57 F 4.6239 8.5956 120.1900 57.8914 40.6525 176.3852 58 I 5.0628 7.7669 110.0068 59.1223 41.0598 173.6490 59 D 5.1022 8.2778 121.9233 52.7695 45.3632 173.7351 60 R 5.3843 7.9646 114.7434 53.8394 32.4681 174.5328 61 K 4.8222 8.5495 118.8123 54.5642 36.5029 175.8246 62 K 4.6750 8.8209 122.8470 55.8663 32.4193 176.1992 63 D 4.4293 8.7255 127.2010 55.1087 41.9378 177.4437 64 N 4.3279 9.4304 121.0640 53.7382 35.8520 173.1016 65 K 4.1973 7.9388 121.9512 56.4525 31.4853 177.1657 66 I 4.2711 7.3261 119.2629 59.2144 39.4438 175.6276 67 F 4.6005 8.4111 125.7108 57.8972 40.0653 174.0309 68 Q 4.7993 9.1502 123.1389 54.4554 31.0234 174.1947 69 Y 4.9666 8.8513 121.1207 56.4174 41.0441 174.3839 70 Y 5.2418 7.8624 119.8252 55.4778 42.2682 173.9644 71 S 4.7144 8.9207 114.7998 58.1643 63.2581 173.6227 72 L 4.8951 8.9052 124.3784 54.6226 42.6253 176.7932 73 V 4.6628 7.9000 112.2681 59.0490 34.6589 175.9402 74 E 4.3415 8.7522 123.3119 55.9283 31.1416 177.3875 75 E 2.8071 8.5437 124.4383 59.4901 29.6904 179.4646 76 S 4.0284 7.7853 114.3799 61.4585 62.8766 176.5271 77 D 4.4330 7.9630 121.1925 57.5496 40.7639 178.4832 78 I 3.9385 7.9317 119.1717 63.8230 38.0300 177.8743 79 K 3.9710 8.4485 119.7603 59.8219 31.8802 178.2387 80 Y 4.1441 8.2446 119.4450 60.8887 38.7222 178.1278 81 K 3.8469 8.2842 120.3829 59.8776 32.3727 178.4488 82 T 4.0007 8.4197 116.2030 66.8687 68.3970 177.0744 83 S 4.1550 8.6388 117.4303 61.4130 62.3582 176.5112 84 K 3.8644 8.6163 122.8526 59.7690 31.4440 178.5927 85 N 4.4744 8.1268 116.6498 55.9439 38.4880 177.3699 86 F 4.1803 8.5293 122.4517 61.4857 39.5328 177.3206 87 I 3.9639 8.4580 119.8350 64.5654 36.6289 178.0956 88 N 4.4765 7.7574 115.6879 55.5794 38.4918 177.2058 89 K 4.0858 7.5075 119.3928 59.3545 33.0056 179.0047 90 V 3.7080 7.2014 118.1725 63.4108 31.9119 175.3399 91 Y 4.6042 7.8467 118.5870 55.6601 38.8298 176.7358 92 K 4.0633 8.8023 125.5068 59.4801 32.8912 178.3323 93 G 3.7171 8.2182 106.6232 45.6292 0.0000 175.2039 94 G 3.8530 7.9021 108.8746 45.3760 0.0000 173.1718 95 F 4.0023 9.0035 119.3487 62.0442 39.1690 177.9035 96 N 4.1252 8.3927 115.0699 56.5585 38.3282 177.1383 97 S 4.0211 7.8690 113.7359 61.0975 62.4809 175.6777 98 L 2.9225 6.8729 122.3988 57.9110 41.8193 179.0072 99 V 3.2831 7.1353 117.9754 65.9256 31.3338 177.6759 100 L 3.9521 8.1748 120.3725 57.9976 41.3675 178.5892 101 N 4.5370 8.1791 117.0710 56.8867 39.0159 176.9821 102 F 3.9248 8.7074 119.4392 60.3028 38.9177 177.9982 103 V 3.6000 7.8766 118.1264 65.9180 31.2962 177.7502 104 E 4.2431 8.2045 114.7884 57.8930 29.4841 177.6393 105 K 4.3558 7.3101 118.4565 56.3900 33.5987 176.2519 106 E 3.7495 7.7637 116.1544 57.5429 27.3901 175.8445 107 D 4.4900 7.9516 118.8169 55.0032 41.9756 175.4599 108 L 4.7553 7.6130 118.7582 53.1127 43.8427 176.9714 109 S 4.4260 8.4174 118.4777 57.7817 65.4084 174.9754 110 Q 3.9734 8.7066 122.2665 59.7925 28.4963 179.6297 111 D 4.3893 8.0852 118.8757 57.2630 40.8686 178.6223 112 E 3.9592 7.8791 119.2011 59.6082 29.5692 179.3273 113 I 3.7154 7.9965 120.0332 64.3458 36.9729 177.7543 114 E 3.8958 8.1287 119.9854 59.6057 29.4806 178.6339 115 E 3.9723 8.3089 118.1878 59.6672 29.6146 179.6480 116 L 4.0438 8.0142 118.8068 57.8133 41.6668 179.7521 117 R 4.0180 8.1675 117.8441 58.9275 29.6593 178.7917 118 N 4.4020 7.6619 115.7479 56.1033 38.7729 177.2008 119 I 3.8377 7.6875 120.2921 64.0436 37.3792 178.3468 120 L 4.1844 8.0209 119.9409 57.7664 41.4954 178.7901 121 N 4.4693 7.9804 112.6941 54.0680 38.4315 175.2572 122 K 4.0599 7.8518 125.6835 57.2987 32.4854 176.5708 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 N 8.42 4.63 0.00 2.68 2.91 0.00 0.00 6.82 6.73 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 4 K 7.62 4.11 0.00 1.59 1.27 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.06 1.18 7.81 5 T 8.69 4.26 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 1.18 0.00 0.00 6 Y 8.09 4.74 0.00 3.02 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 7 E 8.62 4.93 0.00 1.98 1.87 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 2.22 2.39 0.00 8 I 7.80 3.80 0.86 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.36 -0.60 0.00 0.00 9 S 8.82 4.49 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.57 4.43 0.00 3.95 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 11 A 7.93 4.27 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.05 3.90 0.00 2.03 1.71 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 2.17 2.22 0.00 13 W 7.94 4.27 0.00 3.61 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 14 E 8.56 4.10 0.00 2.32 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.36 0.00 15 V 7.82 3.54 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 0.88 0.00 0.00 0.98 0.00 0.00 16 M 7.77 3.47 0.00 1.32 2.10 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.33 0.00 17 N 8.35 4.96 0.00 3.15 3.05 0.00 0.00 7.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.82 3.75 2.02 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 1.82 0.85 0.92 0.00 0.00 19 I 8.28 3.69 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.81 0.00 0.00 20 W 8.20 4.57 0.00 3.76 3.35 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 21 M 8.16 4.31 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 22 K 8.49 4.32 0.00 1.91 1.90 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.63 7.81 23 K 8.86 4.29 0.00 2.01 2.10 0.00 1.95 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 Y 8.45 5.05 0.00 2.87 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 25 A 8.50 4.66 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 26 S 9.13 5.15 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 27 A 9.12 3.85 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 28 N 8.18 4.22 0.00 2.83 2.89 0.00 0.00 7.06 6.92 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 29 N 8.10 4.25 0.00 2.97 2.91 0.00 0.00 7.13 6.46 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 30 I 7.95 3.75 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 0.87 0.00 0.00 31 I 8.11 3.71 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.92 0.00 0.00 32 E 8.19 3.90 0.00 2.14 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 2.35 2.52 0.00 33 E 7.92 4.10 0.00 1.94 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 0.00 2.33 2.52 0.00 34 I 7.77 3.62 1.80 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 1.59 1.22 0.45 0.00 0.00 35 Q 7.68 4.30 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 36 M 7.50 4.19 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 37 Q 7.84 3.98 0.00 1.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 38 K 8.82 3.76 0.00 0.79 0.74 0.00 1.17 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.30 7.81 39 D 7.79 4.94 0.00 2.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 7.67 5.15 0.00 3.34 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 41 S 8.49 4.36 0.00 3.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.35 0.00 2.21 2.10 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 2.13 2.19 0.00 43 K 8.63 3.98 0.00 1.79 1.84 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 44 T 8.08 3.70 4.51 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 0.92 0.00 0.00 45 I 8.39 3.79 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.03 0.94 0.00 0.00 46 R 8.10 3.86 0.00 2.08 1.94 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 47 T 7.78 3.83 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 1.15 0.00 0.00 48 L 7.86 3.84 0.00 1.73 1.61 0.74 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.58 3.43 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 -0.02 0.00 0.00 50 T 7.80 3.92 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 1.24 0.00 0.00 51 R 8.16 3.80 0.00 1.93 1.88 0.00 3.04 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 52 L 8.08 4.00 0.00 1.73 1.69 0.71 0.75 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 53 Y 8.01 4.29 0.00 3.05 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 54 K 8.27 3.61 0.00 1.48 1.65 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.69 1.51 7.81 55 K 7.98 3.59 0.00 1.96 1.83 0.00 1.82 0.00 0.00 2.08 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.90 1.27 7.81 56 G 7.71 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 57 F 8.60 4.62 0.00 2.96 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 58 I 7.77 5.06 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.80 0.00 0.00 59 D 8.28 5.10 0.00 2.59 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 0.00 0.00 0.00 60 R 7.96 5.38 0.00 1.06 0.66 0.00 2.21 0.00 0.00 2.32 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 61 K 8.55 4.82 0.00 2.01 1.87 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.60 7.81 62 K 8.82 4.68 0.00 1.66 1.74 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.64 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.99 0.75 7.81 63 D 8.73 4.43 0.00 2.71 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 0.00 0.00 0.00 0.00 64 N 9.43 4.33 0.00 2.89 3.09 0.00 0.00 6.45 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 65 K 7.94 4.20 0.00 1.85 2.06 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.38 7.81 66 I 7.33 4.27 1.82 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 1.19 0.91 0.89 0.00 0.00 67 F 8.41 4.60 0.00 2.99 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.15 4.80 0.00 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 69 Y 8.85 4.97 0.00 2.91 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 70 Y 7.86 5.24 0.00 3.15 3.36 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 71 S 8.92 4.71 0.00 3.61 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 0.00 72 L 8.91 4.90 0.00 1.76 1.74 0.93 0.91 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 73 V 7.90 4.66 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 0.90 0.00 0.00 1.40 0.00 0.00 74 E 8.75 4.34 0.00 2.10 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 2.46 2.46 0.00 75 E 8.54 2.81 0.00 1.16 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 1.82 1.47 0.00 76 S 7.79 4.03 0.00 3.84 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 77 D 7.96 4.43 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.93 3.94 2.16 0.00 0.00 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 1.83 1.67 1.43 0.00 0.00 79 K 8.45 3.97 0.00 1.78 1.78 0.00 1.60 0.00 0.00 1.33 0.00 0.00 3.16 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.50 7.81 80 Y 8.24 4.14 0.00 3.04 3.27 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 81 K 8.28 3.85 0.00 2.23 2.03 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.59 7.81 82 T 8.42 4.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 83 S 8.64 4.15 0.00 3.85 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 84 K 8.62 3.86 0.00 1.40 1.66 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.57 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.24 7.81 85 N 8.13 4.47 0.00 3.06 2.92 0.00 0.00 6.67 8.17 0.00 0.00 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 F 8.53 4.18 0.00 3.20 3.28 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 87 I 8.46 3.96 2.11 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.88 1.04 0.00 0.00 88 N 7.76 4.48 0.00 2.75 2.88 0.00 0.00 7.06 7.49 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 89 K 7.51 4.09 0.00 1.86 1.88 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.32 7.81 90 V 7.20 3.71 1.44 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 0.12 0.00 0.00 0.11 0.00 0.00 91 Y 7.85 4.60 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.80 4.06 0.00 1.88 1.96 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 93 G 8.22 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 0.00 0.00 0.00 94 G 7.90 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 95 F 9.00 4.00 0.00 3.10 3.11 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 0.00 0.00 0.00 96 N 8.39 4.13 0.00 2.85 2.86 0.00 0.00 6.61 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.87 4.02 0.00 3.93 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 98 L 6.87 2.92 0.00 0.89 1.22 0.70 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.14 3.28 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 0.77 0.00 0.00 0.10 0.00 0.00 100 L 8.17 3.95 0.00 1.81 1.84 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.18 4.54 0.00 3.25 3.21 0.00 0.00 7.18 7.00 0.00 0.00 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 F 8.71 3.92 0.00 2.96 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 0.00 103 V 7.88 3.60 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 1.06 0.00 0.00 0.96 0.00 0.00 104 E 8.20 4.24 0.00 2.17 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 2.35 0.00 105 K 7.31 4.36 0.00 1.60 1.72 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 106 E 7.76 3.75 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 2.27 2.22 0.00 107 D 7.95 4.49 0.00 2.45 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 0.00 108 L 7.61 4.76 0.00 1.67 1.58 0.95 1.04 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 0.00 109 S 8.42 4.43 0.00 4.05 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 0.00 110 Q 8.71 3.97 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 111 D 8.09 4.39 0.00 2.72 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 0.00 112 E 7.88 3.96 0.00 2.28 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 2.36 0.00 113 I 8.00 3.72 2.03 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 1.41 0.93 0.91 0.00 0.00 114 E 8.13 3.90 0.00 2.27 2.17 0.00 0.00 0.00 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 2.41 0.00 115 E 8.31 3.97 0.00 2.23 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 2.33 2.56 0.00 116 L 8.01 4.04 0.00 1.83 1.72 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.17 4.02 0.00 2.13 1.98 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 118 N 7.66 4.40 0.00 2.83 2.86 0.00 0.00 7.02 8.77 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 0.00 119 I 7.69 3.84 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 1.51 0.63 0.90 0.00 0.00 120 L 8.02 4.18 0.00 1.89 1.71 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.98 4.47 0.00 2.78 2.87 0.00 0.00 7.13 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 0.00 122 K 7.85 4.06 0.00 1.84 1.80 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.60 7.81