NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3377 8.0333 117.3318 63.4520 70.6725 172.7889 2 E 4.6114 8.8135 125.8691 55.0391 29.4403 174.8146 3 L 4.5000 8.8933 126.0116 54.4293 43.6187 176.4940 4 T 4.4311 8.0741 110.2484 60.3589 71.0291 175.6712 5 K 3.0894 8.6985 122.9155 60.0611 32.1050 179.5953 6 C 4.1672 7.9849 115.9625 59.5701 38.5334 175.8372 7 K 3.8314 7.7336 121.3669 59.2830 31.7887 179.1268 8 V 3.4218 7.4997 118.4387 66.0904 31.2564 177.9398 9 S 4.1344 7.8865 113.7745 62.2180 62.7469 176.3495 10 H 4.4350 8.1922 118.3438 58.8554 28.2224 177.8000 11 A 4.1585 7.9025 121.9051 54.1826 18.3275 178.6704 12 I 4.2014 7.5549 109.8437 60.5998 37.9558 177.5948 13 K 3.8561 7.5156 121.2906 60.3911 31.9005 178.0014 14 D 4.4474 8.0313 112.8126 55.0806 41.0254 175.8099 15 I 4.0978 7.8135 117.9523 60.9678 39.2247 174.6201 16 D 4.6529 7.8172 120.0607 56.5603 41.2977 176.0103 17 G 4.1226 9.6412 116.2039 45.5876 0.0000 172.7214 18 Y 4.2198 8.0311 121.3936 59.2207 38.9861 175.9360 19 Q 2.9427 9.1996 125.8945 56.8206 27.5939 173.9998 20 G 3.9194 8.5364 103.0320 44.9899 0.0000 173.7715 21 I 4.2564 7.6844 121.9895 59.9734 38.1749 176.1410 22 S 5.0198 9.2266 121.4406 57.5340 65.5238 175.3846 23 L 4.1819 8.3295 120.7718 57.7331 41.2682 179.9813 24 L 4.1451 7.9611 118.6805 57.9391 41.6468 179.1582 25 E 3.9070 8.1953 118.4742 59.2228 29.3973 179.5254 26 W 4.0343 8.4347 118.9416 59.5905 29.0874 178.3555 27 A 4.1932 8.5435 121.2359 55.2758 17.8241 178.9023 28 C 2.0000 7.4258 116.5483 58.7882 41.1991 175.7720 29 V 3.4470 7.6457 120.1006 66.1899 31.0128 177.9812 30 L 3.9293 8.3590 118.8962 57.5390 41.3974 179.3592 31 F 2.8023 7.7888 120.5594 61.2063 39.1562 176.6587 32 H 4.3554 7.6392 112.4963 57.5719 28.6615 177.3083 33 T 4.3174 7.4190 117.8277 65.2901 69.0345 175.6132 34 S 4.4393 7.7950 111.5055 56.5750 64.4535 174.8089 35 G 3.1883 7.9913 108.6551 46.3849 0.0000 173.5049 36 Y 3.6855 7.5083 113.8551 58.6010 35.4821 168.8434 37 D 5.2009 7.7496 120.7350 52.8520 40.9052 177.2132 38 T 4.0415 8.8106 118.8659 63.9937 68.8199 175.6441 39 Q 4.6336 8.6299 119.9911 55.3360 29.3288 175.3272 40 A 4.1655 7.9776 121.8255 52.3716 19.5555 177.4895 41 V 4.6051 8.1909 120.9060 61.1695 34.7091 174.5732 42 V 4.3221 8.4660 127.4453 61.0345 34.5490 173.3560 43 N 5.3252 8.6614 126.6083 52.0419 40.5852 173.0185 44 D 4.5122 9.5266 124.6350 54.1540 44.5780 174.0067 45 N 3.8357 9.4658 120.2179 54.8453 37.1806 174.8510 46 G 3.8228 8.8832 101.5116 45.3610 0.0000 173.6783 47 S 4.5802 7.7529 113.2971 56.7556 66.4949 172.6059 48 T 5.0265 9.1515 116.7784 61.8354 72.0500 173.0155 49 E 5.3018 9.3243 125.4321 54.9828 32.3694 174.5261 50 Y 4.9353 9.3123 121.4362 57.3562 41.6024 177.7296 51 G 4.3363 8.8653 112.0126 44.3561 0.0000 173.2109 52 L 4.0997 8.8087 118.7893 57.4042 41.7866 178.8938 53 F 4.5975 8.4965 113.4994 57.2909 39.9893 175.1347 54 Q 3.6517 8.1020 119.2448 57.0555 26.6072 174.1790 55 I 4.2080 8.1975 118.9172 61.2027 38.8523 177.4055 56 S 5.2851 9.3562 122.5347 58.0455 63.5861 174.0407 57 D 5.0988 8.9203 124.5974 53.5014 39.3574 177.4514 58 R 3.8942 8.1452 120.4740 59.1473 30.3709 176.9861 59 F 4.8821 7.8544 112.1856 57.6964 43.6078 176.3769 60 W 4.4859 8.2745 120.5331 58.4006 29.3447 173.5074 61 C 5.4329 7.9418 110.7902 53.4005 43.0195 172.7745 62 K 4.7403 8.7237 121.4937 55.2171 33.3001 175.5197 63 S 4.9892 8.3982 120.4051 56.5107 66.5533 175.3667 64 S 4.1654 8.8432 115.6733 61.6423 62.8261 175.8420 65 E 4.1336 8.4372 116.6752 58.8235 30.0821 177.0056 66 F 5.1166 8.0923 119.5606 55.2838 39.0629 173.3992 67 P 4.4533 0.0000 0.0000 64.1031 32.0855 176.7265 68 E 4.4464 6.8959 117.9569 54.8363 29.3189 174.3108 69 S 4.2167 7.1119 114.2191 56.8124 65.2491 174.5658 70 E 3.8884 8.6552 119.0903 57.4420 29.6008 176.6465 71 N 4.1179 8.4708 118.3231 53.7839 37.9783 175.3163 72 I 3.7423 7.8397 120.0746 64.9531 37.6299 177.4128 73 C 4.4452 8.7568 115.7330 57.1375 40.6577 173.3718 74 G 3.8876 8.2229 108.4331 46.4561 0.0000 173.2772 75 I 4.4564 6.9089 115.9550 59.2822 41.6488 173.1588 76 S 4.6285 8.4182 120.3555 57.9196 63.2018 175.8379 77 C 3.9838 8.8965 125.2583 60.0959 34.3824 176.2056 78 D 4.2293 7.8843 119.5517 56.5562 40.2398 177.8596 79 K 4.3139 7.9590 117.4930 57.5472 32.2399 177.2550 80 L 4.8271 7.7018 118.7335 53.8830 41.8589 177.1984 81 L 5.2836 8.1453 117.3277 53.5105 42.2253 175.4851 82 D 5.1649 7.9651 119.1974 52.0010 41.9570 175.3240 83 D 4.6523 8.6370 118.7065 54.5189 40.8405 176.3796 84 E 4.4578 8.5653 120.7417 55.0753 29.2780 176.5483 85 L 4.5456 8.1485 125.3562 54.9081 42.0562 178.4629 86 D 4.3201 8.0248 120.0868 57.5797 40.8708 178.2865 87 D 4.3657 7.9875 118.7597 56.1965 39.6704 178.1652 88 D 4.2475 7.9572 120.0376 57.3231 40.9458 178.5508 89 I 3.0850 7.8457 120.3497 63.9825 36.8845 178.3845 90 A 3.8112 7.8243 121.6788 55.1382 18.1706 178.9337 91 C 4.1453 8.1148 116.8253 59.6723 41.0610 175.6104 92 A 3.8116 7.7383 122.5774 54.9825 17.6939 179.7293 93 K 3.9088 7.8282 117.0045 59.4806 32.0043 179.6804 94 K 4.0493 7.6740 118.7828 59.5223 32.0081 179.4597 95 I 2.9484 7.5069 119.9859 64.0268 36.8985 178.3925 96 L 4.2079 8.5816 120.0183 58.0377 41.3221 179.5842 97 A 4.0873 8.4296 119.7591 54.6752 18.3541 179.3184 98 I 4.0743 7.8864 117.3864 63.7243 37.8514 177.5578 99 K 4.3607 8.4259 118.6160 57.1517 33.2532 176.2177 100 G 4.1787 8.0382 103.3901 45.0293 0.0000 173.7465 101 I 3.9776 8.3254 117.4623 63.9934 37.8707 176.8053 102 D 4.8289 8.1081 117.1432 55.2444 40.7235 176.3246 103 Y 3.8815 7.8691 121.4376 59.8788 38.9226 175.9920 104 W 4.4274 8.5027 121.3482 55.2797 28.0924 177.0810 105 K 4.1778 8.4140 123.3625 58.3316 31.8359 178.3986 106 A 4.1828 8.0672 121.0705 54.5261 18.4850 178.4276 107 Y 3.9710 8.0124 118.6882 60.7655 38.5925 178.1744 108 K 3.5893 7.9804 119.5522 58.8451 32.5484 176.2733 109 P 4.3511 0.0000 0.0000 65.1002 31.5220 176.7385 110 M 4.4661 7.8718 116.2297 55.4063 33.0352 175.4288 111 C 5.0247 7.8889 116.3218 56.8753 41.2947 174.8389 112 S 4.1387 8.0820 115.2865 58.6466 63.4335 173.5988 113 E 4.5705 7.5977 116.5300 55.1194 32.7795 174.5202 114 K 3.8405 8.4399 116.0517 57.6759 29.3674 175.7158 115 L 4.6157 7.5392 119.2846 56.9923 43.1619 179.4260 116 E 4.0026 8.4491 119.5477 59.1653 29.5735 178.7095 117 Q 3.9142 7.9654 115.3643 58.5313 28.5386 177.0694 118 W 4.5441 8.1318 116.9611 57.1391 29.4543 176.5891 119 R 4.0571 7.8316 119.6957 56.1888 30.0385 174.8702 120 C 4.7931 8.5451 123.8844 54.9487 44.2494 173.4622 121 E 3.9191 8.6687 126.9197 57.5755 29.6403 177.2204 122 K 4.1020 7.8539 121.0136 55.3153 32.7309 174.6543 123 P 4.4405 0.0000 0.0000 62.9478 31.1909 176.1246 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 T 8.03 4.34 4.36 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 1.23 0.00 0.00 2 E 8.81 4.61 0.00 1.99 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 2.32 2.44 0.00 3 L 8.89 4.50 0.00 1.43 1.53 0.91 0.87 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 T 8.07 4.43 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 5 K 8.70 3.09 0.00 2.04 1.88 0.00 2.22 0.00 0.00 2.10 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.58 1.80 7.81 6 C 7.98 4.17 0.00 2.92 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 7 K 7.73 3.83 0.00 1.84 1.86 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 8 V 7.50 3.42 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 0.88 0.00 0.00 0.70 0.00 0.00 9 S 7.89 4.13 0.00 3.89 3.93 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 10 H 8.19 4.44 0.00 3.30 3.30 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.90 4.16 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 12 I 7.55 4.20 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.69 0.93 0.00 0.00 13 K 7.52 3.86 0.00 1.83 1.94 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.57 7.81 14 D 8.03 4.45 0.00 2.58 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 15 I 7.81 4.10 1.59 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.97 0.55 0.00 0.00 16 D 7.82 4.65 0.00 2.77 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 17 G 9.64 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 18 Y 8.03 4.22 0.00 3.10 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 19 Q 9.20 2.94 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 20 G 8.54 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 0.00 0.00 0.00 21 I 7.68 4.26 1.93 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 0.04 0.00 0.00 22 S 9.23 5.02 0.00 4.07 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 23 L 8.33 4.18 0.00 1.85 1.86 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.96 4.15 0.00 1.78 1.88 1.00 1.11 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 25 E 8.20 3.91 0.00 2.12 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 2.42 2.40 0.00 26 W 8.43 4.03 0.00 3.45 3.07 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 27 A 8.54 4.19 1.60 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 0.00 0.00 28 C 7.43 2.00 0.00 1.23 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 29 V 7.65 3.45 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 0.80 0.00 0.00 0.73 0.00 0.00 30 L 8.36 3.93 0.00 1.89 1.72 0.46 0.41 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 31 F 7.79 2.80 0.00 2.75 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 32 H 7.64 4.36 0.00 3.17 3.34 0.00 5.70 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 33 T 7.42 4.32 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 1.45 0.00 0.00 34 S 7.80 4.44 0.00 3.92 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 35 G 7.99 3.19 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 36 Y 7.51 3.69 0.00 3.28 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 37 D 7.75 5.20 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 38 T 8.81 4.04 4.52 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 1.25 0.00 0.00 39 Q 8.63 4.63 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 40 A 7.98 4.17 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 41 V 8.19 4.61 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 0.54 0.00 0.00 0.93 0.00 0.00 42 V 8.47 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 0.84 0.00 0.00 0.96 0.00 0.00 43 N 8.66 5.33 0.00 2.66 2.62 0.00 0.00 6.94 8.47 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 44 D 9.53 4.51 0.00 2.58 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 0.00 0.00 0.00 0.00 45 N 9.47 3.84 0.00 2.84 2.79 0.00 0.00 7.06 7.98 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 46 G 8.88 3.82 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 0.00 0.00 0.00 47 S 7.75 4.58 0.00 4.06 3.68 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 0.00 0.00 0.00 48 T 9.15 5.03 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 0.73 0.00 0.00 49 E 9.32 5.30 0.00 2.03 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 2.34 2.27 0.00 50 Y 9.31 4.94 0.00 2.96 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 51 G 8.87 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 0.00 0.00 0.00 0.00 52 L 8.81 4.10 0.00 1.64 1.83 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.50 4.60 0.00 3.25 3.54 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 54 Q 8.10 3.65 0.00 2.44 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 55 I 8.20 4.21 2.04 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 1.02 0.77 1.02 0.00 0.00 56 S 9.36 5.29 0.00 4.22 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 57 D 8.92 5.10 0.00 2.91 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 58 R 8.15 3.89 0.00 1.53 1.78 0.00 2.98 0.00 0.00 2.87 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 59 F 7.85 4.88 0.00 2.00 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 0.00 0.00 0.00 0.00 60 W 8.27 4.49 0.00 3.58 3.26 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 61 C 7.94 5.43 0.00 3.07 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 62 K 8.72 4.74 0.00 1.82 1.66 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.33 1.43 7.81 63 S 8.40 4.99 0.00 4.00 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 64 S 8.84 4.17 0.00 3.93 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 65 E 8.44 4.13 0.00 2.16 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 2.38 2.45 0.00 66 F 8.09 5.12 0.00 2.97 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 67 P 0.00 4.45 0.00 2.15 2.16 0.00 3.43 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 68 E 6.90 4.45 0.00 1.82 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 2.05 2.08 0.00 69 S 7.11 4.22 0.00 4.32 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 70 E 8.66 3.89 0.00 1.89 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 0.00 2.23 2.30 0.00 71 N 8.47 4.12 0.00 2.76 2.70 0.00 0.00 7.01 7.58 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 72 I 7.84 3.74 1.75 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 1.01 0.00 0.00 73 C 8.76 4.45 0.00 3.24 3.18 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 74 G 8.22 3.89 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 0.00 0.00 0.00 75 I 6.91 4.46 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.91 0.00 0.00 76 S 8.42 4.63 0.00 3.86 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 77 C 8.90 3.98 0.00 2.20 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 78 D 7.88 4.23 0.00 2.67 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 79 K 7.96 4.31 0.00 1.84 2.09 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 80 L 7.70 4.83 0.00 1.98 1.81 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.15 5.28 0.00 1.85 1.72 1.21 1.03 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 82 D 7.97 5.16 0.00 2.74 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 83 D 8.64 4.65 0.00 2.70 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 84 E 8.57 4.46 0.00 2.05 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 2.26 2.26 0.00 85 L 8.15 4.55 0.00 1.74 1.73 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.02 4.32 0.00 2.72 2.68 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 0.00 0.00 0.00 87 D 7.99 4.37 0.00 2.91 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 88 D 7.96 4.25 0.00 2.90 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 89 I 7.85 3.09 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.63 0.00 0.00 90 A 7.82 3.81 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 91 C 8.11 4.15 0.00 3.03 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 92 A 7.74 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.83 3.91 0.00 1.77 1.50 0.00 1.22 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 1.20 7.81 94 K 7.67 4.05 0.00 1.95 2.03 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.68 7.81 95 I 7.51 2.95 1.65 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.23 0.00 0.00 96 L 8.58 4.21 0.00 2.22 1.99 1.45 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.43 4.09 1.49 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 98 I 7.89 4.07 2.29 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 1.05 0.00 0.00 99 K 8.43 4.36 0.00 1.91 1.95 0.00 2.12 0.00 0.00 2.01 0.00 0.00 3.33 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.56 7.81 100 G 8.04 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 0.00 0.00 0.00 101 I 8.33 3.98 1.58 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.54 0.72 0.00 0.00 102 D 8.11 4.83 0.00 2.78 2.75 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 0.00 103 Y 7.87 3.88 0.00 2.52 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 0.00 0.00 0.00 104 W 8.50 4.43 0.00 3.68 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 0.00 105 K 8.41 4.18 0.00 1.70 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 106 A 8.07 4.18 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 0.00 107 Y 8.01 3.97 0.00 2.98 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 0.00 108 K 7.98 3.59 0.00 1.77 1.81 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.34 7.81 109 P 0.00 4.35 0.00 2.18 2.13 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 110 M 7.87 4.47 0.00 1.83 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 111 C 7.89 5.02 0.00 2.79 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 0.00 112 S 8.08 4.14 0.00 3.73 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 0.00 113 E 7.60 4.57 0.00 2.02 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 2.16 2.34 0.00 114 K 8.44 3.84 0.00 1.96 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.45 7.81 115 L 7.54 4.62 0.00 1.79 1.83 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.45 4.00 0.00 2.06 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 2.38 2.37 0.00 117 Q 7.97 3.91 0.00 1.79 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.18 1.16 0.00 118 W 8.13 4.54 0.00 3.49 3.34 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 0.00 119 R 7.83 4.06 0.00 1.86 1.86 0.00 3.42 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 120 C 8.55 4.79 0.00 2.92 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 0.00 121 E 8.67 3.92 0.00 2.00 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 2.31 2.23 0.00 122 K 7.85 4.10 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.49 7.81 123 P 0.00 4.44 0.00 2.07 1.95 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00