NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4152 8.3044 120.3291 55.0386 33.4687 173.8407 2 E 3.9270 8.3969 120.1541 55.0418 30.3126 174.9982 3 A 3.9979 9.4219 129.2366 52.8843 19.7121 177.3000 4 L 3.9883 8.5245 122.6233 56.0599 41.9567 178.4211 5 G 3.8510 9.8727 104.5130 45.1347 0.0000 172.4147 6 A 4.6493 7.3719 117.2216 50.6642 22.1672 176.5974 7 D 4.6134 8.7206 122.4062 53.8959 42.3568 175.6388 8 V 4.6028 8.3682 122.8222 61.3829 34.0252 174.8105 9 T 4.4133 7.9063 122.5234 62.0609 68.8432 174.8168 10 Q 3.9847 8.8400 126.0779 56.7666 28.9302 177.3179 11 G 4.0758 9.0388 109.2738 46.0030 0.0000 172.6173 12 L 5.0563 8.3594 120.5799 52.9136 45.8238 175.0253 13 E 5.1408 8.6135 118.6107 54.0334 34.5281 175.3553 14 K 4.0586 8.3355 123.0145 58.0974 32.3987 177.1526 15 G 4.0463 9.0981 115.2818 45.0244 0.0000 173.8333 16 S 4.2585 8.1894 117.2798 58.5561 64.0432 173.3678 17 L 5.0500 8.5084 124.8876 53.7142 42.5873 175.6095 18 I 4.6221 8.8513 118.0617 59.2300 41.6276 174.0670 19 T 4.6042 8.4149 118.1804 62.5771 70.2691 174.4541 20 C 4.8491 8.7278 127.1068 57.3401 31.4474 174.2569 21 A 4.5364 8.4691 135.0000 50.2638 15.9321 174.5244 22 D 5.3876 7.6710 120.0740 53.0419 42.9134 176.4246 23 N 4.9607 8.4937 113.8652 53.2184 37.4122 176.7532 24 T 3.8867 7.8372 112.9340 64.7227 69.0822 174.7644 25 G 3.8347 8.1674 107.9461 45.0672 0.0000 172.6836 26 A 4.7123 7.5819 123.6179 51.0660 20.2318 176.5494 27 R 4.3264 8.7930 122.6963 57.9177 31.7213 175.8563 28 E 4.9997 8.0065 119.4286 54.4047 32.1935 174.0341 29 L 5.2418 9.0781 126.0274 52.7602 45.6996 175.1929 30 K 4.9510 8.7265 123.0447 54.3439 35.0229 175.4251 31 V 3.9566 8.9240 128.9766 63.5689 32.0045 175.6633 32 I 4.2084 8.8278 128.4133 62.7937 38.9490 175.8596 33 S 4.7011 7.7786 115.2228 57.1429 68.2302 173.1245 34 V 4.5590 8.2274 120.6332 61.0918 33.5642 174.3253 35 H 4.1670 8.7153 128.3226 58.0440 29.9535 175.5245 36 G 3.9039 8.6305 113.3686 45.8839 0.0000 172.3498 37 Y 4.5948 7.8489 121.0684 55.9328 40.0143 174.9394 38 S 4.4016 7.4102 120.1174 56.5148 66.6266 173.4645 39 G 4.0054 8.0045 119.9142 45.1854 0.0000 173.3926 40 T 4.5161 8.2517 117.1032 59.8222 70.2798 172.4457 41 K 3.8707 8.4663 125.7987 58.3152 32.3278 176.8008 42 N 4.5515 8.9954 121.9539 53.6719 37.4166 174.5059 43 R 4.0382 7.8607 119.0497 55.6895 30.4307 175.7415 44 L 4.2042 8.5125 126.3670 53.4268 42.2764 174.7712 45 P 4.4825 0.0000 0.0000 63.6474 31.7824 175.0516 46 K 4.9422 7.9815 123.1820 55.1333 34.6122 175.5953 47 A 4.7284 8.9603 124.3872 50.3707 22.9580 175.3254 48 G 4.2680 9.5486 107.4605 44.1901 0.0000 171.2283 49 L 4.2268 8.6973 122.4302 56.6252 42.1318 177.4903 50 G 4.1188 9.1368 114.7019 45.1078 0.0000 172.6625 51 D 4.9042 7.9135 119.3027 52.8945 43.5794 175.8029 52 K 4.7015 8.6395 123.0506 55.2069 33.4049 175.2409 53 I 4.8020 8.3453 121.6699 59.7636 40.7328 174.5188 54 T 4.8030 8.6948 119.9435 62.3102 70.5333 174.2876 55 V 4.9650 9.3730 125.0313 61.2351 35.9257 173.7350 56 S 5.1425 8.7161 118.3281 56.3677 65.7540 173.1424 57 V 4.1674 8.3353 126.8529 62.6531 31.5935 176.5909 58 T 4.0373 8.6529 125.9001 66.0637 68.9514 175.4260 59 K 4.5752 8.3803 118.7700 54.8981 36.7674 175.5807 60 G 3.9419 8.7934 107.0143 43.9683 0.0000 173.4694 61 T 3.9596 8.4343 110.5076 61.0245 69.1012 173.3612 62 P 4.1865 0.0000 0.0000 66.0213 31.2764 178.5180 63 E 4.0946 7.9714 115.9697 59.8736 29.7657 178.7873 64 M 4.1883 7.6225 118.0010 56.7122 32.1947 176.9957 65 R 3.8424 7.6089 119.4744 57.8497 30.5871 176.5623 66 R 4.0116 8.6168 122.3630 56.6137 28.5416 176.1922 67 Q 4.4186 7.5896 117.7509 55.0850 30.9023 175.2822 68 V 4.4985 8.2877 121.5203 61.6008 32.6999 174.3789 69 L 4.9216 8.7199 127.3151 52.8674 46.1364 175.6288 70 E 4.9753 8.4656 118.5561 55.7896 32.0542 175.1227 71 A 4.8376 8.5792 122.1482 51.2054 23.6508 175.1378 72 V 4.5690 8.0427 118.6327 60.8743 34.6677 174.8165 73 V 4.0448 8.5919 128.3004 62.9569 31.4930 176.1788 74 V 3.9690 9.0811 128.6771 63.9330 33.5245 175.6643 75 R 4.1201 7.3804 117.2348 54.2877 34.9636 174.2796 76 Q 4.9185 8.0796 117.2620 55.3790 31.2619 175.6949 77 R 4.2775 9.4669 121.5373 58.6544 30.4334 177.7453 78 K 4.1830 7.8716 118.4515 55.6098 31.8169 175.2213 79 P 4.9398 0.0000 0.0000 62.9777 32.8834 174.8644 80 I 4.8756 8.4813 113.2421 59.4763 41.5823 173.9007 81 R 5.0206 9.0642 124.0806 54.9420 32.4850 175.2181 82 R 4.8553 8.3557 123.7128 53.6985 32.7988 175.3649 83 P 4.1886 0.0000 0.0000 65.9860 31.3454 177.2612 84 D 4.5598 7.9901 114.3205 53.5670 39.7478 175.0841 85 G 4.2294 8.6322 110.1558 46.1888 0.0000 174.8791 86 T 3.9347 7.9254 115.3744 64.2912 69.3775 173.8011 87 R 4.9319 8.4709 123.6439 55.2017 32.3865 175.9409 88 V 4.5053 8.7438 121.3662 61.0482 34.7750 174.4370 89 K 4.8880 8.3088 125.2768 55.4516 35.8647 175.3463 90 F 4.7464 8.6955 119.9660 55.8882 41.6090 176.2741 91 E 4.2305 9.0565 119.6180 58.1577 29.7222 174.7704 92 D 4.6598 7.6820 115.6994 53.3772 42.6275 173.7778 93 N 5.1034 8.6154 115.2408 51.6272 40.8856 174.2990 94 A 5.2297 9.0144 124.3316 50.5754 23.2971 174.5951 95 A 5.0159 9.2834 120.8570 50.2897 23.7480 175.2544 96 V 4.4520 8.3024 118.9966 60.6800 34.2224 175.1704 97 I 4.1255 8.1929 129.3350 62.1961 37.9572 175.4090 98 V 4.8965 8.7500 125.6731 61.4453 35.0766 175.0972 99 D 4.9238 8.1841 124.3065 52.1904 41.7526 176.6505 100 E 3.9475 8.7428 116.9184 59.9631 29.5487 177.4386 101 N 4.6161 8.3902 113.6519 52.9517 38.6689 175.0814 102 E 3.7958 7.9102 116.6694 57.2414 27.6676 173.5575 103 D 5.3992 8.2219 118.2237 51.0188 42.4234 174.3708 104 P 4.6296 0.0000 0.0000 63.0193 31.7572 176.3587 105 R 3.8885 8.6780 123.1351 59.2312 30.1307 177.0428 106 G 3.9754 7.6948 104.7829 45.0822 0.0000 172.7782 107 T 4.2817 8.5222 114.2580 64.5276 69.5776 175.4366 108 E 4.7211 8.8361 120.4262 54.3572 33.1377 175.6521 109 L 4.8783 8.3205 123.6050 52.3028 42.3182 176.6386 110 K 4.0772 8.6882 123.5889 56.7270 33.0340 177.6613 111 G 3.8391 8.7352 113.6570 44.1795 0.0000 171.0057 112 P 4.7230 0.0000 0.0000 62.7811 32.6554 175.3595 113 I 4.7346 8.1903 117.8088 59.5801 42.0336 174.6512 114 A 4.9776 8.0995 126.3050 51.5991 19.4352 179.2660 115 R 3.9142 8.8909 119.0479 59.5058 29.0495 179.3721 116 E 4.0245 8.2692 118.6736 59.0946 29.3533 179.2583 117 V 3.4167 7.7602 118.2636 65.3854 31.2751 177.9299 118 A 3.9920 7.9500 120.9391 55.3909 18.1190 179.5556 119 Q 4.0380 7.3785 114.2917 58.2731 28.7198 178.6245 120 R 4.1301 7.0389 116.1888 56.3894 32.3734 177.0537 121 F 4.8528 7.7716 120.5898 54.6132 39.1654 175.9998 122 G 3.7374 8.5209 111.9185 47.8841 0.0000 172.4029 123 S 3.9139 8.1809 116.7366 60.9549 62.5593 176.6426 124 V 3.6057 7.7896 120.4772 65.5696 31.6320 177.3445 125 A 4.2070 8.3125 121.1702 54.9984 18.4142 180.8209 126 S 4.5695 8.7455 111.7320 57.9121 62.6491 175.0035 127 A 4.5341 7.7649 118.8113 53.2510 22.1745 176.5052 128 A 4.5864 8.0926 120.2052 50.9500 20.2740 177.9677 129 T 4.1222 8.5926 112.6178 64.1788 69.2076 174.9026 130 M 4.8616 7.8371 121.0045 53.0214 35.6970 175.1796 131 I 4.6712 8.2621 122.2192 59.7803 40.7471 175.4176 132 V 3.9829 9.2011 127.2657 62.8940 31.5281 175.6483 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 4.42 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 2 E 8.40 3.93 0.00 1.94 1.74 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 2.23 2.33 0.00 3 A 9.42 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.52 3.99 0.00 1.66 1.75 0.98 1.01 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 5 G 9.87 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 6 A 7.37 4.65 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 7 D 8.72 4.61 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.37 4.60 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 0.84 0.00 0.00 1.02 0.00 0.00 9 T 7.91 4.41 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 1.22 0.00 0.00 10 Q 8.84 3.98 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 11 G 9.04 4.08 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 0.00 0.00 0.00 12 L 8.36 5.06 0.00 1.62 1.50 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.61 5.14 0.00 1.87 1.76 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 2.18 2.21 0.00 14 K 8.34 4.06 0.00 1.73 1.73 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.66 7.81 15 G 9.10 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 0.00 0.00 0.00 16 S 8.19 4.26 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.51 5.05 0.00 1.51 1.61 0.91 0.79 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 18 I 8.85 4.62 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.88 0.00 0.00 19 T 8.41 4.60 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 1.19 0.00 0.00 20 C 8.73 4.85 0.00 2.94 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 21 A 8.47 4.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.67 5.39 0.00 2.66 2.60 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 0.00 23 N 8.49 4.96 0.00 2.73 2.92 0.00 0.00 6.01 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 24 T 7.84 3.89 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 1.27 0.00 0.00 25 G 8.17 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 26 A 7.58 4.71 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 27 R 8.79 4.33 0.00 1.78 1.95 0.00 3.09 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.01 5.00 0.00 2.02 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 2.27 2.47 0.00 29 L 9.08 5.24 0.00 1.52 1.48 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.73 4.95 0.00 1.76 1.72 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.92 3.96 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 0.84 0.00 0.00 0.95 0.00 0.00 32 I 8.83 4.21 1.98 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 1.22 0.91 0.91 0.00 0.00 33 S 7.78 4.70 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.23 4.56 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 0.94 0.00 0.00 0.83 0.00 0.00 35 H 8.72 4.17 0.00 3.23 3.36 0.00 6.09 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.63 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 0.00 0.00 0.00 37 Y 7.85 4.59 0.00 2.93 3.06 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 38 S 7.41 4.40 0.00 3.79 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 39 G 8.00 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 0.00 0.00 0.00 40 T 8.25 4.52 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 1.22 0.00 0.00 41 K 8.47 3.87 0.00 1.74 1.76 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 9.00 4.55 0.00 2.95 3.02 0.00 0.00 7.04 7.66 0.00 0.00 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 R 7.86 4.04 0.00 1.81 2.10 0.00 3.35 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 44 L 8.51 4.20 0.00 1.82 1.62 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.48 0.00 2.12 2.44 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 46 K 7.98 4.94 0.00 1.65 1.74 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.13 1.12 7.81 47 A 8.96 4.73 1.11 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 0.00 0.00 48 G 9.55 4.27 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 0.00 49 L 8.70 4.23 0.00 1.72 1.63 0.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.14 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 0.00 0.00 0.00 0.00 51 D 7.91 4.90 0.00 2.78 2.59 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 0.00 0.00 0.00 0.00 52 K 8.64 4.70 0.00 1.83 1.71 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.43 7.81 53 I 8.35 4.80 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 0.87 0.00 0.00 54 T 8.69 4.80 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 1.21 0.00 0.00 55 V 9.37 4.97 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 0.99 0.00 0.00 0.89 0.00 0.00 56 S 8.72 5.14 0.00 3.90 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 57 V 8.34 4.17 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 0.90 0.00 0.00 0.94 0.00 0.00 58 T 8.65 4.04 4.23 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 1.28 0.00 0.00 59 K 8.38 4.58 0.00 1.64 1.64 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.43 3.96 4.23 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 1.20 0.00 0.00 62 P 0.00 4.19 0.00 2.03 2.19 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 63 E 7.97 4.09 0.00 1.93 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 2.31 2.34 0.00 64 M 7.62 4.19 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 65 R 7.61 3.84 0.00 1.90 1.84 0.00 3.33 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 66 R 8.62 4.01 0.00 2.04 2.09 0.00 3.20 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Q 7.59 4.42 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 68 V 8.29 4.50 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 0.80 0.00 0.00 0.93 0.00 0.00 69 L 8.72 4.92 0.00 1.57 1.49 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.47 4.98 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 71 A 8.58 4.84 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 0.00 0.00 0.00 0.00 0.00 72 V 8.04 4.57 1.75 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 0.64 0.00 0.00 -0.17 0.00 0.00 73 V 8.59 4.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 74 V 9.08 3.97 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 0.74 0.00 0.00 0.87 0.00 0.00 75 R 7.38 4.12 0.00 1.54 1.50 0.00 3.32 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 76 Q 8.08 4.92 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 77 R 9.47 4.28 0.00 1.81 2.07 0.00 3.15 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 1.87 1.57 0.00 78 K 7.87 4.18 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.94 0.00 2.12 1.97 0.00 3.61 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 2.11 2.09 0.00 80 I 8.48 4.88 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 1.00 0.00 0.00 81 R 9.06 5.02 0.00 1.87 1.80 0.00 3.06 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 82 R 8.36 4.86 0.00 1.81 1.80 0.00 3.20 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 83 P 0.00 4.19 0.00 2.03 2.14 0.00 3.67 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 2.04 2.10 0.00 84 D 7.99 4.56 0.00 2.78 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 85 G 8.63 4.23 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 0.00 86 T 7.93 3.93 4.23 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 1.19 0.00 0.00 87 R 8.47 4.93 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 88 V 8.74 4.51 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 0.72 0.00 0.00 0.89 0.00 0.00 89 K 8.31 4.89 0.00 1.95 1.68 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.39 7.81 90 F 8.70 4.75 0.00 3.34 3.05 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 91 E 9.06 4.23 0.00 1.97 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 0.00 2.31 2.26 0.00 92 D 7.68 4.66 0.00 2.68 2.64 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 93 N 8.62 5.10 0.00 2.63 2.72 0.00 0.00 6.46 7.14 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 94 A 9.01 5.23 1.11 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 0.00 0.00 95 A 9.28 5.02 1.11 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 0.00 0.00 96 V 8.30 4.45 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.91 0.00 0.00 97 I 8.19 4.13 1.83 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 1.07 0.72 0.87 0.00 0.00 98 V 8.75 4.90 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 0.67 0.00 0.00 0.84 0.00 0.00 99 D 8.18 4.92 0.00 2.95 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 0.00 100 E 8.74 3.95 0.00 1.98 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 2.31 2.33 0.00 101 N 8.39 4.62 0.00 2.98 2.86 0.00 0.00 7.10 7.28 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 0.00 102 E 7.91 3.80 0.00 2.18 2.25 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 2.27 2.33 0.00 103 D 8.22 5.40 0.00 2.87 2.57 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 0.00 0.00 0.00 104 P 0.00 4.63 0.00 2.15 2.05 0.00 3.77 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 1.98 2.08 0.00 105 R 8.68 3.89 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.69 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.52 4.28 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 1.21 0.00 0.00 108 E 8.84 4.72 0.00 1.84 1.79 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 2.20 2.24 0.00 109 L 8.32 4.88 0.00 1.51 1.62 0.95 1.04 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 0.00 110 K 8.69 4.08 0.00 1.63 1.74 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.44 7.81 111 G 8.74 3.84 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 0.00 0.00 0.00 112 P 0.00 4.72 0.00 2.26 2.17 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 113 I 8.19 4.73 2.02 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 1.11 0.68 0.91 0.00 0.00 114 A 8.10 4.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.89 3.91 0.00 2.10 2.24 0.00 2.80 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 116 E 8.27 4.02 0.00 2.12 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 2.45 2.52 0.00 117 V 7.76 3.42 2.28 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 1.29 0.00 0.00 1.01 0.00 0.00 118 A 7.95 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 0.00 119 Q 7.38 4.04 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.04 4.13 0.00 1.33 0.66 0.00 2.97 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.41 0.00 121 F 7.77 4.85 0.00 3.12 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 0.00 122 G 8.52 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.18 3.91 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.79 3.61 2.37 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 0.88 0.00 0.00 0.90 0.00 0.00 125 A 8.31 4.21 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.75 4.57 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.76 4.53 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 0.00 128 A 8.09 4.59 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 0.00 129 T 8.59 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 1.22 0.00 0.00 130 M 7.84 4.86 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.26 4.67 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.95 0.00 0.00 132 V 9.20 3.98 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 0.86 0.00 0.00 1.00 0.00 0.00