NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3810 8.3049 120.3133 55.3013 33.3206 174.0893 2 E 4.1072 8.2522 120.0187 56.4307 30.6018 175.6541 3 H 4.7807 8.4753 121.0621 54.0615 28.5460 172.9469 4 V 4.3371 7.5195 118.9624 60.7559 35.0260 174.4182 5 A 4.5888 8.3845 129.6382 50.4523 20.0913 176.1142 6 F 2.9034 8.4856 123.5835 59.5637 39.5921 175.6547 7 G 3.5299 7.5284 115.2562 45.0669 0.0000 173.5643 8 S 4.1159 7.2757 114.6028 57.9005 63.4278 175.2641 9 E 3.9243 8.7934 123.8068 58.5974 29.7541 177.0611 10 D 4.9580 7.7116 117.2965 52.7841 40.1962 177.8993 11 I 3.5420 7.5023 123.1097 64.9819 37.5290 177.1049 12 E 4.1016 8.0763 117.2315 59.2488 29.6234 178.5760 13 N 4.5293 8.1972 117.6646 56.5262 38.4847 177.4895 14 T 3.8854 7.8010 115.4044 66.2512 68.9276 175.6428 15 L 4.3539 7.9373 118.2926 53.4306 41.9266 176.4852 16 A 4.3379 7.2051 123.0149 53.8083 18.6282 177.6734 17 K 3.9151 9.1300 119.9292 56.9963 30.0755 175.3822 18 M 4.1034 8.2153 119.4812 55.7006 32.6607 176.5575 19 D 4.7660 8.5141 125.8244 52.6408 42.2802 177.0969 20 D 4.5140 8.6808 119.4217 57.4655 40.5396 179.0930 21 G 3.7689 8.1698 104.4765 48.1817 0.0000 175.1509 22 Q 4.1309 8.6220 120.9685 58.5074 28.8888 178.6212 23 L 3.8993 8.1200 121.2970 58.2122 41.8770 178.4968 24 D 4.6324 8.0084 117.4265 56.0836 40.9445 177.7077 25 G 3.8259 8.0448 105.9233 44.0372 0.0000 173.7603 26 L 4.1080 6.8166 120.3857 54.1612 42.0833 177.2753 27 A 4.1820 8.0519 123.2768 53.5719 18.7600 177.1368 28 F 5.1333 6.6915 109.4710 54.3239 41.6934 174.9793 29 G 4.1467 9.5444 107.0737 46.0444 0.0000 172.6555 30 A 5.4973 9.4240 124.6621 50.3202 22.9411 175.0670 31 I 5.0074 8.9815 123.0957 59.4094 41.2435 174.2142 32 Q 4.6168 8.9064 127.5867 54.1671 31.1283 174.1228 33 L 5.3236 8.8256 126.4278 52.8313 45.4048 176.4282 34 D 5.1682 8.9427 122.5532 52.3416 40.6748 177.4686 35 G 3.6995 8.6761 107.3167 48.0622 0.0000 174.2536 36 D 4.6200 8.3982 118.0815 55.0782 41.4907 177.2323 37 G 4.1011 8.8022 108.5432 45.1072 0.0000 173.0776 38 N 4.8940 8.6249 118.0668 52.9111 39.3018 174.2256 39 I 4.2985 8.5715 123.9720 61.3420 37.6843 176.4895 40 L 4.3346 9.0819 127.8631 56.3664 42.9820 177.3200 41 Q 4.7123 7.7048 115.4861 54.6973 33.6670 174.0618 42 Y 5.0008 8.5110 122.4306 57.1391 41.5895 173.7527 43 N 5.0434 8.7637 125.1939 51.5557 40.0063 176.1857 44 A 4.0453 9.0400 120.1971 55.2958 18.2838 179.7478 45 A 3.9651 7.9639 118.8525 55.1051 18.3437 179.3259 46 E 3.9787 8.4587 117.6443 59.4754 29.7015 179.1032 47 G 3.9112 8.2937 105.7733 48.0570 0.0000 175.3959 48 D 4.4243 8.1211 120.4295 57.2349 40.8865 178.5814 49 I 3.9731 7.8201 119.9317 63.9111 37.2722 177.6472 50 T 4.5734 8.2571 107.9562 61.0822 69.8995 175.7848 51 G 4.0069 8.4991 109.8002 45.3544 0.0000 174.1673 52 R 4.0149 7.6295 118.3965 55.8794 30.8673 175.6308 53 D 4.6163 8.3173 120.1971 52.8093 42.0877 174.9994 54 P 3.9947 0.0000 0.0000 65.9243 31.2382 178.7431 55 K 4.1162 8.0202 114.3285 58.8853 32.0692 178.7926 56 Q 4.1079 7.8215 117.7375 57.8974 28.9640 177.7167 57 V 3.9678 7.3232 112.3045 60.9573 32.1582 176.2322 58 I 3.9296 7.1264 119.9175 62.7627 37.2794 176.2365 59 G 3.9573 9.1751 114.7645 45.0961 0.0000 173.7943 60 K 4.2646 7.8895 119.3347 55.2986 33.4563 175.2453 61 N 4.9047 9.1537 120.2357 52.5426 39.7096 175.8075 62 F 3.8298 9.0795 129.0235 61.1345 39.6294 177.0788 63 F 3.8135 7.6105 117.4366 59.4426 39.2612 176.9289 64 K 3.9954 8.4002 121.1609 58.7437 32.2474 176.4695 65 D 4.6443 7.7662 115.0051 56.0463 42.5797 178.0956 66 V 3.6022 7.4814 116.5595 65.2151 32.2292 177.1765 67 A 4.3480 7.2313 121.4013 50.4178 18.8899 175.4374 68 P 4.2543 0.0000 0.0000 64.9002 31.7022 178.0633 69 C 4.3113 7.6532 113.8029 60.4800 29.9134 174.2293 70 T 4.3237 7.7603 110.0593 61.4354 68.9070 174.2813 71 D 5.2054 7.7018 123.2019 53.0648 39.5438 174.8165 72 S 4.7524 7.9617 116.9953 56.1101 65.8823 174.8946 73 P 4.2073 0.0000 0.0000 65.6790 31.1938 178.5494 74 E 3.9945 7.8459 114.9726 57.8786 29.1953 176.0645 75 F 4.4960 7.3871 118.8416 58.4615 42.3818 175.4370 76 Y 4.0871 9.1306 120.4084 60.9158 38.8379 179.2132 77 G 3.4879 8.4278 106.6497 47.6323 0.0000 175.8286 78 K 3.9174 7.6389 120.3242 59.0365 31.9869 179.0323 79 F 4.0664 8.4563 121.1943 61.3717 39.3066 177.4189 80 K 3.7353 8.4514 118.6943 59.6587 32.2845 178.6999 81 E 3.8807 8.0921 120.8390 59.0499 29.5530 179.0941 82 G 3.6232 7.9221 105.8565 46.5604 0.0000 175.8603 83 V 3.3786 7.3429 120.9943 65.0355 31.5281 177.6466 84 A 4.0589 7.6808 119.2180 55.2995 18.3114 179.3317 85 S 4.2249 8.0763 110.4431 59.1429 62.4351 174.8333 86 G 3.9820 9.0053 108.7279 45.7509 0.0000 172.9089 87 N 4.9501 7.8466 115.6731 51.6147 42.8463 173.3791 88 L 4.6045 8.3906 123.8364 54.1855 45.9149 173.7956 89 N 5.2571 8.7095 124.2971 53.6228 40.3263 172.8211 90 T 4.8832 9.2422 120.4682 60.5414 71.6464 171.8953 91 M 5.4063 8.6735 126.2963 53.8686 35.2325 174.1491 92 F 5.0669 8.5895 119.3527 55.8666 41.6943 173.3898 93 E 4.8519 8.9210 119.8744 56.7499 30.6693 174.9345 94 Y 4.8388 8.7707 121.5321 57.1909 43.2112 173.1814 95 T 4.7158 7.8672 119.3923 61.8155 71.0392 173.5824 96 F 5.3802 9.1580 126.5539 56.1882 40.5996 176.4115 97 D 4.9165 8.8345 120.1653 53.0809 40.8741 174.2096 98 Y 4.5103 8.2399 121.4658 57.9178 38.7654 174.7334 99 Q 3.3142 8.5225 127.5098 56.2515 26.5590 173.2792 100 M 4.5392 7.5194 110.3361 54.4072 33.5713 174.2661 101 T 3.9607 8.4314 117.1964 62.9741 69.0783 172.7220 102 P 4.6670 0.0000 0.0000 63.6295 32.1717 175.8681 103 T 4.6014 9.0088 120.2599 61.6054 72.2343 172.9912 104 K 4.6195 8.6553 128.2970 56.0948 33.8053 175.8895 105 V 4.6563 8.7358 119.4819 59.5792 36.8636 173.8270 106 K 4.6656 8.7532 123.6284 54.8407 34.1425 174.9988 107 V 4.9374 8.5717 127.4140 61.2898 34.4301 173.6424 108 H 5.2523 9.4828 127.2765 54.8512 32.5351 171.7291 109 M 5.1583 9.0707 126.4147 53.7519 34.3479 175.3728 110 K 5.0996 8.9657 123.8923 54.5613 36.2767 175.1007 111 K 4.1890 8.9161 129.1164 56.4548 32.6430 176.4483 112 A 4.4649 8.2770 129.1023 51.7753 18.7999 177.6911 113 L 4.0069 8.9258 121.4999 57.6378 42.3250 177.3012 114 S 4.7499 7.7084 109.9809 56.6683 66.4019 175.3815 115 G 3.6679 8.5314 108.0253 46.5955 0.0000 175.7012 116 D 4.5559 8.2640 112.8856 52.4444 41.4895 173.7716 117 S 4.9738 7.1431 116.8107 56.5243 67.9356 173.4849 118 Y 4.7786 8.6247 116.8854 56.2366 42.2113 174.7437 119 W 4.7966 9.2508 124.4377 55.6996 31.3786 175.6277 120 V 4.6046 8.7286 123.5641 61.3256 33.5407 174.1355 121 F 5.7373 9.1563 127.4387 56.0709 41.7749 175.2473 122 V 5.3515 9.3820 121.6423 61.3998 35.1903 174.0847 123 K 4.9812 8.7769 125.2556 54.9495 36.4034 175.7651 124 R 4.3691 8.4799 119.7832 56.2446 31.0532 177.3586 125 V 3.9337 7.8392 114.6345 61.6553 32.3942 175.6819 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 4.38 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 E 8.25 4.11 0.00 1.93 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 2.30 2.40 0.00 3 H 8.48 4.78 0.00 3.13 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.52 4.34 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 0.90 0.00 0.00 0.89 0.00 0.00 5 A 8.38 4.59 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 6 F 8.49 2.90 0.00 2.44 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 7 G 7.53 3.53 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 0.00 0.00 0.00 8 S 7.28 4.12 0.00 3.96 3.92 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 9 E 8.79 3.92 0.00 1.89 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 0.00 2.27 2.35 0.00 10 D 7.71 4.96 0.00 2.82 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 11 I 7.50 3.54 1.72 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.96 0.79 0.00 0.00 12 E 8.08 4.10 0.00 2.36 2.22 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 2.33 2.41 0.00 13 N 8.20 4.53 0.00 2.97 2.91 0.00 0.00 6.92 7.19 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 14 T 7.80 3.89 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 1.17 0.00 0.00 15 L 7.94 4.35 0.00 1.51 1.32 0.73 -0.11 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 16 A 7.21 4.34 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 17 K 9.13 3.92 0.00 1.97 1.95 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 18 M 8.22 4.10 0.00 2.11 2.08 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 2.63 2.59 0.00 19 D 8.51 4.77 0.00 3.02 2.83 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 20 D 8.68 4.51 0.00 2.82 2.81 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 0.00 0.00 0.00 21 G 8.17 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 0.00 0.00 0.00 22 Q 8.62 4.13 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 23 L 8.12 3.90 0.00 1.99 1.86 1.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.01 4.63 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 25 G 8.04 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 L 6.82 4.11 0.00 1.29 0.49 0.61 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.05 4.18 1.36 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 0.00 0.00 28 F 6.69 5.13 0.00 3.39 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 29 G 9.54 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 0.00 0.00 0.00 30 A 9.42 5.50 1.45 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 31 I 8.98 5.01 1.64 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.47 0.78 0.00 0.00 32 Q 8.91 4.62 0.00 1.32 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.44 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 33 L 8.83 5.32 0.00 1.76 1.59 0.24 0.63 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 34 D 8.94 5.17 0.00 2.97 2.86 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 35 G 8.68 3.70 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 0.00 0.00 0.00 36 D 8.40 4.62 0.00 2.91 2.83 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 37 G 8.80 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 38 N 8.62 4.89 0.00 3.12 2.75 0.00 0.00 7.06 7.42 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 39 I 8.57 4.30 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 1.26 0.83 1.04 0.00 0.00 40 L 9.08 4.33 0.00 1.47 1.65 0.84 0.86 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 41 Q 7.70 4.71 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 42 Y 8.51 5.00 0.00 2.97 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 43 N 8.76 5.04 0.00 3.04 2.99 0.00 0.00 6.61 7.32 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 44 A 9.04 4.05 1.40 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 0.00 0.00 0.00 45 A 7.96 3.97 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 46 E 8.46 3.98 0.00 1.97 1.61 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 1.47 2.10 0.00 47 G 8.29 3.91 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 0.00 0.00 0.00 48 D 8.12 4.42 0.00 2.88 2.78 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 49 I 7.82 3.97 2.14 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 1.64 0.69 1.09 0.00 0.00 50 T 8.26 4.57 4.35 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 1.50 0.00 0.00 51 G 8.50 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 52 R 7.63 4.01 0.00 1.89 1.64 0.00 3.21 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 53 D 8.32 4.62 0.00 2.64 2.49 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 0.00 0.00 0.00 0.00 54 P 0.00 3.99 0.00 2.27 2.59 0.00 3.69 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.49 0.00 55 K 8.02 4.12 0.00 1.71 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.54 7.81 56 Q 7.82 4.11 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 57 V 7.32 3.97 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 0.63 0.00 0.00 0.10 0.00 0.00 58 I 7.13 3.93 1.85 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 1.40 0.60 0.97 0.00 0.00 59 G 9.18 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 60 K 7.89 4.26 0.00 1.87 1.66 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.41 7.81 61 N 9.15 4.90 0.00 2.76 2.71 0.00 0.00 7.50 7.61 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 62 F 9.08 3.83 0.00 2.72 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 0.00 0.00 0.00 63 F 7.61 3.81 0.00 2.54 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 0.00 0.00 0.00 0.00 64 K 8.40 4.00 0.00 1.67 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.36 7.81 65 D 7.77 4.64 0.00 2.66 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 66 V 7.48 3.60 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 0.71 0.00 0.00 0.86 0.00 0.00 67 A 7.23 4.35 -0.17 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 0.00 0.00 68 P 0.00 4.25 0.00 1.81 1.87 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.44 0.00 69 C 7.65 4.31 0.00 3.27 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 70 T 7.76 4.32 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 0.61 0.00 0.00 71 D 7.70 5.21 0.00 2.77 2.79 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 72 S 7.96 4.75 0.00 4.28 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 73 P 0.00 4.21 0.00 2.21 2.13 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 74 E 7.85 3.99 0.00 2.30 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 2.44 2.33 0.00 75 F 7.39 4.50 0.00 2.65 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 76 Y 9.13 4.09 0.00 2.87 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 77 G 8.43 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.64 3.92 0.00 2.04 1.84 0.00 1.02 0.00 0.00 1.31 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.46 7.81 79 F 8.46 4.07 0.00 3.40 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 80 K 8.45 3.74 0.00 1.84 1.81 0.00 1.08 0.00 0.00 1.37 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.87 1.49 7.81 81 E 8.09 3.88 0.00 2.09 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 0.00 2.24 2.26 0.00 82 G 7.92 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 83 V 7.34 3.38 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 1.15 0.00 0.00 -0.62 0.00 0.00 84 A 7.68 4.06 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 85 S 8.08 4.22 0.00 3.86 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 86 G 9.01 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 87 N 7.85 4.95 0.00 2.73 2.70 0.00 0.00 6.43 6.77 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 88 L 8.39 4.60 0.00 1.80 1.64 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.71 5.26 0.00 2.78 2.74 0.00 0.00 6.89 7.75 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 90 T 9.24 4.88 4.34 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 1.42 0.00 0.00 91 M 8.67 5.41 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 92 F 8.59 5.07 0.00 3.16 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 93 E 8.92 4.85 0.00 1.95 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 0.00 2.28 2.33 0.00 94 Y 8.77 4.84 0.00 3.34 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 95 T 7.87 4.72 4.16 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 1.24 0.00 0.00 96 F 9.16 5.38 0.00 3.04 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 97 D 8.83 4.92 0.00 2.77 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 98 Y 8.24 4.51 0.00 2.78 2.86 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 99 Q 8.52 3.31 0.00 1.67 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.41 0.00 0.00 0.00 0.00 0.00 1.28 1.60 0.00 100 M 7.52 4.54 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 101 T 8.43 3.96 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 1.23 0.00 0.00 102 P 0.00 4.67 0.00 1.96 2.05 0.00 3.64 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 2.06 2.18 0.00 103 T 9.01 4.60 4.37 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 1.25 0.00 0.00 104 K 8.66 4.62 0.00 1.82 1.63 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 105 V 8.74 4.66 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 0.56 0.00 0.00 0.26 0.00 0.00 106 K 8.75 4.67 0.00 1.64 1.30 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.35 7.81 107 V 8.57 4.94 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 0.00 0.00 0.65 0.00 0.00 0.88 0.00 0.00 108 H 9.48 5.25 0.00 2.80 2.85 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.07 5.16 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 110 K 8.97 5.10 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.64 7.81 111 K 8.92 4.19 0.00 1.88 1.69 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 0.69 7.81 112 A 8.28 4.46 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.93 4.01 0.00 1.67 1.77 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.71 4.75 0.00 3.97 3.81 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 0.00 0.00 0.00 115 G 8.53 3.67 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 0.00 0.00 0.00 116 D 8.26 4.56 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.14 4.97 0.00 3.75 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 0.00 118 Y 8.62 4.78 0.00 3.21 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 0.00 119 W 9.25 4.80 0.00 2.95 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 0.00 0.00 0.00 120 V 8.73 4.60 1.89 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 1.27 0.00 0.00 0.88 0.00 0.00 121 F 9.16 5.74 0.00 2.87 2.81 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 0.00 0.00 0.00 122 V 9.38 5.35 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 1.35 0.00 0.00 1.32 0.00 0.00 123 K 8.78 4.98 0.00 1.60 1.48 0.00 1.01 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.88 7.81 124 R 8.48 4.37 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 125 V 7.84 3.93 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 0.65 0.00 0.00 0.91 0.00 0.00