NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4113 8.3049 120.3169 54.9228 34.1888 175.7275 2 T 3.8023 7.5593 117.3699 62.8305 70.0750 173.7213 3 L 4.0506 8.5539 125.6813 57.8993 42.2059 179.1207 4 E 3.8604 7.9891 118.8176 59.0103 29.6333 178.4353 5 L 3.7034 7.6659 119.9668 58.1866 42.2115 178.8437 6 Q 3.9551 7.8335 117.5814 58.6780 28.5697 178.4796 7 L 3.9714 7.7177 121.4689 57.9699 42.1496 179.0073 8 K 3.9076 7.8882 119.5472 59.8828 32.0669 178.5896 9 H 4.6447 8.1656 117.8593 58.3955 28.5467 177.1947 10 Y 3.9780 8.6166 121.6973 60.7996 38.8204 178.2475 11 I 3.5831 8.1336 121.0036 64.5038 37.3544 178.5930 12 T 4.0228 8.1983 110.7088 65.0333 68.4043 176.4093 13 N 4.2956 8.3209 118.8904 55.5956 38.5590 176.8509 14 L 3.7447 7.4816 121.0437 57.5828 42.2811 178.2631 15 F 4.3988 7.6916 113.2362 55.8725 39.7192 174.9764 16 N 4.1759 8.1903 116.5319 54.3618 37.7122 173.9010 17 L 4.5009 7.7715 114.9240 52.4462 43.2456 175.2048 18 P 4.1641 0.0000 0.0000 63.7463 31.5154 176.6508 19 R 4.2533 8.5439 121.1704 57.1414 30.6477 176.7216 20 D 4.5248 7.9517 115.9403 53.3102 39.9243 175.7104 21 E 4.4437 7.8218 120.4019 54.8293 30.1998 175.5333 22 K 3.8814 8.4434 125.5055 55.6927 33.0819 175.9597 23 W 4.9731 7.9520 124.6090 55.5360 32.2191 174.7229 24 E 4.6034 8.0938 120.2227 54.9711 30.7180 175.8743 25 C 4.6331 8.8620 122.9614 59.3989 29.4994 172.8129 26 E 4.6662 8.9528 123.6519 54.6104 32.2326 174.4251 27 S 4.9336 8.8051 123.5529 57.3073 64.1166 173.4821 28 I 4.6683 8.1214 123.3336 59.4487 41.9462 173.2714 29 E 4.6714 8.6807 126.9525 55.6423 30.5121 175.5625 30 E 4.7456 8.6474 122.4800 54.4899 34.8247 174.8732 31 V 4.3688 8.2118 121.1661 62.0000 32.8439 176.7607 32 A 4.0362 8.4530 129.4066 55.5611 17.9798 179.5349 33 D 4.2780 7.3629 113.8298 57.5359 41.3527 177.8619 34 D 4.4846 7.9972 118.1023 57.8766 40.9575 177.5437 35 I 3.9347 7.6390 119.3978 61.9755 37.6385 176.0420 36 L 4.3544 7.8741 123.3013 54.3120 42.6487 175.9881 37 P 4.5806 0.0000 0.0000 62.6683 32.0361 177.2229 38 D 4.4453 8.6141 118.8890 56.8563 41.1502 178.6805 39 Q 3.9307 8.2443 119.8716 58.8263 29.0752 176.1394 40 Y 4.5119 7.6643 116.0100 57.7908 39.3182 175.0998 41 V 4.1835 7.0407 118.8204 62.8664 32.2387 176.7016 42 R 4.0483 8.2061 120.6434 58.9321 30.1863 177.3462 43 L 4.4613 7.5201 111.4558 55.8636 42.9115 175.4193 44 G 3.6934 7.8056 109.5470 44.9366 0.0000 172.9289 45 P 4.2529 0.0000 0.0000 65.1103 31.3674 177.3297 46 L 4.2921 7.7043 117.3913 54.6701 40.8005 177.4877 47 S 3.5794 7.7596 109.3877 62.0461 62.2844 175.5030 48 N 4.9241 8.6666 116.8529 52.0019 39.3539 175.0436 49 K 4.4460 7.5409 117.4818 55.1613 34.9492 177.5369 50 I 4.4988 8.3051 125.2364 60.4574 37.6264 174.8208 51 L 4.7505 8.4388 127.9243 52.7852 44.4928 176.3256 52 Q 4.1187 8.1762 122.8865 56.0531 29.9047 174.8451 53 T 4.9853 8.3113 119.8867 60.4069 69.9255 172.7583 54 N 5.1203 9.5149 128.7568 52.6780 39.9054 173.1324 55 T 5.0014 8.2489 123.6590 62.6983 70.3579 173.5584 56 Y 5.5716 8.7250 123.9499 56.4641 40.4325 174.9415 57 Y 4.9488 8.6190 120.9275 55.4799 41.6266 174.5179 58 S 4.6753 8.1951 116.8563 55.9385 67.0717 174.4739 59 D 4.3752 8.8235 118.6795 57.6607 40.3566 179.0730 60 T 3.7616 7.7039 109.7205 64.8599 68.9026 176.4270 61 L 3.5062 7.1916 122.0442 57.3199 41.6722 179.0789 62 H 3.9479 8.4879 118.5733 58.9425 29.5764 177.2682 63 K 3.8725 7.9474 120.7056 59.4714 32.2031 178.3772 64 S 4.1085 7.8724 112.4482 57.9236 63.3045 173.3191 65 N 3.8084 7.4339 118.8729 54.7708 37.5106 173.5410 66 I 4.4776 7.4984 117.1438 59.6013 39.9041 176.4397 67 Y 4.8109 8.6866 125.1902 55.5655 39.0877 172.5620 68 P 5.1939 0.0000 0.0000 62.3494 33.3899 175.1811 69 F 6.0624 8.3864 115.4995 56.5356 41.9137 172.7710 70 I 4.8719 8.8759 120.1079 59.7107 40.6030 174.2138 71 L 5.3834 9.1798 127.0907 53.4767 43.7027 175.2223 72 Y 5.5257 8.2263 120.3101 56.0271 42.3893 173.2140 73 Y 4.6153 9.1269 121.8038 56.1950 42.0266 175.3508 74 Q 3.3157 8.6598 126.2647 57.4022 26.2759 173.4465 75 K 3.9227 8.1020 109.1601 56.9500 30.2012 176.4963 76 Q 4.5021 7.8743 117.7434 54.2475 32.4423 173.1786 77 L 4.5523 8.7714 127.7522 55.6663 43.0358 175.5471 78 I 4.5904 9.0558 126.1967 62.7750 39.5034 175.3585 79 A 5.1901 7.7530 120.3557 51.3684 22.2084 175.0278 80 I 4.8879 8.8349 119.6847 59.7325 41.9148 174.9780 81 G 3.9641 7.6968 110.6978 46.9169 0.0000 171.9539 82 F 5.3792 7.1492 113.6592 55.3084 41.9858 173.0741 83 I 4.8546 8.6457 120.8977 59.9134 39.4176 175.6998 84 D 5.0998 8.2151 126.3922 52.0104 41.7143 176.9017 85 E 3.9440 8.8756 118.3663 59.4868 29.6524 177.0556 86 N 4.5695 8.3153 114.0855 53.4813 38.6364 174.4416 87 H 3.9845 8.2446 113.8361 56.5770 29.4668 174.2561 88 D 4.4364 8.0358 118.5893 55.1977 41.5927 174.5312 89 M 4.2751 8.4790 125.9463 54.6360 33.2970 175.1452 90 D 4.5711 7.7547 124.0368 52.5533 42.8931 175.4001 91 F 4.9767 8.6839 122.9178 56.0754 39.8337 175.6901 92 L 4.5239 8.2988 122.5367 55.6766 43.5689 176.5529 93 Y 4.5755 7.8511 120.2649 56.5288 41.7372 172.9807 94 L 4.6152 7.6469 129.6993 53.3329 44.1260 175.4048 95 H 4.5861 8.7239 126.4631 54.6378 31.8939 172.5089 96 N 4.7665 8.8844 124.3257 53.1937 39.8680 175.1150 97 T 3.9348 8.4551 117.9762 66.6900 67.9420 175.8407 98 V 3.8523 7.0876 120.4741 63.8394 32.2586 174.8512 99 M 4.9300 7.4481 118.6296 52.3679 34.6004 173.5755 100 P 4.4263 0.0000 0.0000 63.0468 32.3979 175.6723 101 L 4.4020 8.4660 120.3366 56.0610 42.9103 176.7315 102 L 4.6540 7.4230 118.0218 52.7249 43.9362 175.7601 103 D 4.6399 8.3973 123.2530 51.4869 39.9521 174.1797 104 Q 4.6498 8.3311 124.8548 54.1340 31.4381 176.3100 105 R 3.8969 8.4501 125.0208 59.2222 30.0911 178.5621 106 Y 4.0726 7.4990 116.1682 61.0824 37.7323 178.3377 107 L 4.0691 8.0029 119.4617 57.9860 42.3433 178.2212 108 L 3.7474 7.5310 119.2991 57.7542 42.1955 178.2288 109 T 4.6774 8.0655 106.6488 60.4603 70.1839 172.5912 110 G 3.8307 8.4757 113.9448 45.3072 0.0000 173.7623 111 G 3.8664 8.1801 113.5334 45.2482 0.0000 170.9228 112 Q 4.2625 8.3621 119.6128 55.7474 29.2859 176.5697 113 L 4.3804 8.2528 117.1291 55.2606 42.0565 177.0918 114 E 4.7615 7.6366 113.0837 56.2616 31.5696 175.5316 115 H 4.8384 8.7854 118.9370 56.9732 32.0505 173.5278 116 H 4.2094 8.4259 116.7472 58.7247 28.7615 175.5616 117 H 4.8084 7.7769 113.8077 54.5594 32.4595 172.5644 118 H 4.6624 8.1279 114.1477 56.3855 33.1648 174.3467 119 H 4.1413 8.5063 119.8325 58.8306 29.9461 174.4296 120 H 4.5149 8.3143 119.2347 56.3504 28.7807 174.2203 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.41 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 T 7.56 3.80 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 3 L 8.55 4.05 0.00 1.58 1.57 0.73 0.67 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 4 E 7.99 3.86 0.00 1.96 1.83 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 2.16 2.22 0.00 5 L 7.67 3.70 0.00 1.59 1.66 0.81 0.67 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 6 Q 7.83 3.96 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 7 L 7.72 3.97 0.00 1.76 1.79 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.89 3.91 0.00 1.40 1.58 0.00 0.84 0.00 0.00 1.17 0.00 0.00 2.34 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.97 0.21 7.81 9 H 8.17 4.64 0.00 3.33 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.62 3.98 0.00 3.13 3.17 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 0.00 0.00 0.00 11 I 8.13 3.58 2.11 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 1.18 1.17 0.80 0.00 0.00 12 T 8.20 4.02 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 13 N 8.32 4.30 0.00 2.73 2.80 0.00 0.00 7.00 7.43 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 14 L 7.48 3.74 0.00 1.26 1.39 0.26 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.69 4.40 0.00 3.05 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 16 N 8.19 4.18 0.00 2.78 2.87 0.00 0.00 7.07 7.39 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 17 L 7.77 4.50 0.00 1.77 1.62 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.16 0.00 2.09 2.18 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 19 R 8.54 4.25 0.00 1.73 1.86 0.00 2.98 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 20 D 7.95 4.52 0.00 2.76 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 21 E 7.82 4.44 0.00 2.13 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 2.28 2.28 0.00 22 K 8.44 3.88 0.00 1.62 1.66 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.30 7.81 23 W 7.95 4.97 0.00 3.37 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 24 E 8.09 4.60 0.00 1.16 1.57 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 0.00 2.14 2.04 0.00 25 C 8.86 4.63 0.00 2.97 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 26 E 8.95 4.67 0.00 2.23 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 2.20 2.29 0.00 27 S 8.81 4.93 0.00 3.84 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 28 I 8.12 4.67 1.86 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 1.30 1.33 0.92 0.00 0.00 29 E 8.68 4.67 0.00 1.87 1.85 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 2.25 2.32 0.00 30 E 8.65 4.75 0.00 1.72 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 31 V 8.21 4.37 2.26 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 1.13 0.00 0.00 0.91 0.00 0.00 32 A 8.45 4.04 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 33 D 7.36 4.28 0.00 2.81 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 34 D 8.00 4.48 0.00 2.83 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 35 I 7.64 3.93 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.39 0.51 0.00 0.00 36 L 7.87 4.35 0.00 1.98 1.94 1.22 1.40 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 37 P 0.00 4.58 0.00 2.32 2.29 0.00 4.04 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 38 D 8.61 4.45 0.00 2.74 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 39 Q 8.24 3.93 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 40 Y 7.66 4.51 0.00 2.68 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 41 V 7.04 4.18 2.04 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 0.80 0.00 0.00 0.98 0.00 0.00 42 R 8.21 4.05 0.00 1.87 1.88 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 43 L 7.52 4.46 0.00 1.69 1.62 0.88 0.28 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 44 G 7.81 3.69 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 0.00 0.00 0.00 45 P 0.00 4.25 0.00 2.10 2.13 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 46 L 7.70 4.29 0.00 1.52 1.70 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.76 3.58 0.00 3.97 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 48 N 8.67 4.92 0.00 2.69 2.82 0.00 0.00 6.76 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 49 K 7.54 4.45 0.00 1.58 1.55 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.55 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.36 1.42 7.81 50 I 8.31 4.50 1.90 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 1.34 0.37 0.91 0.00 0.00 51 L 8.44 4.75 0.00 1.65 1.54 0.91 0.55 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 52 Q 8.18 4.12 0.00 0.99 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 53 T 8.31 4.99 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 1.23 0.00 0.00 54 N 9.51 5.12 0.00 3.04 2.90 0.00 0.00 6.86 7.03 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 55 T 8.25 5.00 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 1.47 0.00 0.00 56 Y 8.73 5.57 0.00 3.21 3.29 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 57 Y 8.62 4.95 0.00 3.10 3.12 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 0.00 58 S 8.20 4.68 0.00 3.92 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 59 D 8.82 4.38 0.00 2.72 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 60 T 7.70 3.76 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 61 L 7.19 3.51 0.00 1.37 1.50 -0.39 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.49 3.95 0.00 3.24 3.31 0.00 5.78 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 63 K 7.95 3.87 0.00 1.81 1.86 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.44 7.81 64 S 7.87 4.11 0.00 3.50 3.33 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 65 N 7.43 3.81 0.00 2.74 2.75 0.00 0.00 6.99 7.34 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 66 I 7.50 4.48 1.45 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.39 0.87 0.00 0.00 67 Y 8.69 4.81 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 5.19 0.00 2.36 2.24 0.00 4.02 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 2.25 1.73 0.00 69 F 8.39 6.06 0.00 3.32 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 70 I 8.88 4.87 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 1.14 0.00 0.00 71 L 9.18 5.38 0.00 1.97 1.74 1.22 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.23 5.53 0.00 3.23 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 9.13 4.62 0.00 3.02 2.91 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 0.00 0.00 0.00 74 Q 8.66 3.32 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 75 K 8.10 3.92 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 76 Q 7.87 4.50 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 77 L 8.77 4.55 0.00 1.68 1.67 1.16 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.06 4.59 2.15 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 1.61 1.02 1.08 0.00 0.00 79 A 7.75 5.19 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 80 I 8.83 4.89 2.01 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 1.29 1.48 0.94 0.00 0.00 81 G 7.70 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 82 F 7.15 5.38 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.65 4.85 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.26 0.89 0.00 0.00 84 D 8.22 5.10 0.00 3.10 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 85 E 8.88 3.94 0.00 1.95 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 2.29 2.25 0.00 86 N 8.32 4.57 0.00 2.77 3.09 0.00 0.00 6.95 7.93 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 87 H 8.24 3.98 0.00 3.39 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.04 4.44 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.48 4.28 0.00 1.64 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 90 D 7.75 4.57 0.00 1.58 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 0.00 0.00 0.00 91 F 8.68 4.98 0.00 2.90 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 92 L 8.30 4.52 0.00 1.53 1.48 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.85 4.58 0.00 3.04 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 94 L 7.65 4.62 0.00 1.25 1.38 -0.12 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.72 4.59 0.00 2.77 3.36 0.00 6.00 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.88 4.77 0.00 2.85 2.97 0.00 0.00 7.25 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 97 T 8.46 3.93 4.20 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 1.20 0.00 0.00 98 V 7.09 3.85 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 0.78 0.00 0.00 0.92 0.00 0.00 99 M 7.45 4.93 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 100 P 0.00 4.43 0.00 2.07 1.86 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 101 L 8.47 4.40 0.00 1.61 1.74 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.42 4.65 0.00 1.51 1.47 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.40 4.64 0.00 2.79 2.52 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 0.00 104 Q 8.33 4.65 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 105 R 8.45 3.90 0.00 1.37 1.70 0.00 2.96 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 106 Y 7.50 4.07 0.00 3.06 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 0.00 107 L 8.00 4.07 0.00 1.70 1.88 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.53 3.75 0.00 1.78 1.67 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.07 4.68 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 1.24 0.00 0.00 110 G 8.48 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 0.00 0.00 0.00 111 G 8.18 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 0.00 0.00 0.00 112 Q 8.36 4.26 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 113 L 8.25 4.38 0.00 1.63 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.64 4.76 0.00 2.04 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 2.13 2.30 0.00 115 H 8.79 4.84 0.00 3.04 3.14 0.00 5.73 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.43 4.21 0.00 3.19 3.39 0.00 5.90 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 0.00 117 H 7.78 4.81 0.00 3.10 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.13 4.66 0.00 3.10 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.51 4.14 0.00 3.13 3.43 0.00 6.06 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.31 4.51 0.00 3.22 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00