NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1741 8.1727 122.0507 56.2892 34.0690 173.9244 2 V 4.5410 8.2140 127.4554 60.7291 32.3180 174.5529 3 F 4.3745 10.0740 129.0317 57.5856 40.2310 174.7847 4 E 4.3249 8.8753 120.4177 55.5443 31.0315 176.9395 5 R 3.3084 8.9782 122.0575 60.5756 29.9657 179.5295 6 C 4.3049 8.0295 115.2184 59.7596 35.0061 175.7021 7 E 3.8943 8.1264 120.6075 59.1879 29.2359 178.4893 8 L 3.5902 8.0517 120.1124 57.8712 42.0795 178.5360 9 A 3.9234 7.7717 120.7211 55.5061 18.2189 179.9254 10 R 3.8981 7.9991 116.3433 59.6426 30.2437 179.4460 11 T 3.8535 7.8165 115.3213 66.6000 68.4098 176.7706 12 L 3.8824 8.0755 121.1553 57.3828 41.6185 179.4104 13 K 3.8835 8.0328 119.6824 59.5941 31.9702 178.8843 14 R 3.9339 7.9903 117.8228 59.0699 30.0222 177.4948 15 L 4.3452 7.4409 115.8463 54.1413 41.7700 176.8613 16 G 3.8390 7.8843 106.9047 47.0054 0.0000 175.0688 17 M 3.9032 7.8221 121.0464 56.1783 32.4749 175.7355 18 D 4.5351 7.9843 117.7586 56.0679 41.0953 175.6405 19 G 3.9495 9.2374 115.5365 45.5243 0.0000 171.2974 20 Y 4.2010 8.3472 122.0886 58.5945 38.9327 176.2276 21 R 3.6478 9.0911 125.9501 57.1642 27.8172 177.2399 22 G 3.7982 8.1433 104.0556 45.4682 0.0000 174.1930 23 I 4.0339 7.6914 122.2037 59.3037 37.5805 175.8488 24 S 4.6203 8.3180 121.0485 57.9100 64.8665 174.8045 25 L 4.1739 8.5300 124.4668 58.5681 41.9054 179.1714 26 A 4.1590 8.2347 120.0891 55.3342 18.1760 179.2979 27 N 4.4797 7.7875 114.7409 56.3789 38.7423 177.7488 28 W 4.2163 7.9807 119.9749 59.9578 29.0587 178.5829 29 M 4.2098 8.5124 119.0254 58.3844 31.4112 177.9170 30 C 3.0258 8.0924 118.6756 59.0294 42.6176 175.3166 31 L 3.9682 8.1631 121.6982 58.2967 41.7489 178.7399 32 A 3.9728 8.2407 120.6410 54.9390 18.2612 179.3475 33 K 2.7333 8.0615 117.9802 59.4067 32.0173 179.1314 34 W 4.2664 7.5214 117.3603 59.3364 29.0688 178.3173 35 E 4.3314 8.4903 118.9132 58.7003 28.8893 177.8038 36 S 4.5036 8.0198 109.7078 56.5500 64.8676 174.8031 37 G 3.9571 7.9510 108.9506 46.5765 0.0000 172.9713 38 Y 3.6123 7.6053 113.7583 58.8269 34.9615 168.7613 39 N 5.3477 7.5242 118.4982 51.8991 40.5434 175.4358 40 T 4.0187 8.9660 117.1778 63.9423 69.2290 175.9450 41 R 4.3298 7.9657 116.6534 55.6487 29.9431 175.9872 42 A 4.3106 7.7734 122.3396 52.6798 19.1151 177.2098 43 T 5.0179 8.4824 112.2539 59.9619 72.4543 173.3255 44 N 4.8438 8.8324 122.0054 52.4314 42.2729 172.4805 45 Y 4.6560 8.7760 128.3360 57.4592 40.1446 174.7342 46 N 4.5322 8.6285 125.0334 51.2782 38.6902 175.2971 47 A 3.7032 8.4258 127.4529 54.9437 18.8193 179.0774 48 G 3.7983 8.1097 103.6264 48.0671 0.0000 173.6822 49 D 4.7296 7.5107 114.8833 51.9391 40.1963 175.6552 50 R 3.7534 7.9158 117.3047 57.5421 28.1669 175.8273 51 S 4.9412 7.5246 111.1540 56.9883 66.6772 172.5291 52 T 5.0616 8.9151 116.2050 61.9465 72.6808 172.7918 53 D 5.4751 9.0516 125.2407 53.2482 43.0978 175.0681 54 Y 5.0029 9.0753 120.8840 57.4397 41.5516 177.5079 55 G 4.6947 9.3490 112.1922 44.0612 0.0000 173.9833 56 V 3.8137 8.3199 116.4193 63.7097 31.1686 176.8062 57 F 4.6694 7.9575 115.5511 56.2550 39.7141 175.5396 58 Q 3.6061 7.8485 118.8287 57.1604 26.2802 173.1418 59 I 4.4903 8.5338 119.5921 60.7965 39.4028 176.1355 60 N 5.2673 9.2272 126.3226 53.3527 39.6980 175.6565 61 S 4.8028 9.0223 120.9009 60.3061 63.3162 175.6603 62 R 3.7298 8.7520 122.5057 59.3409 30.1499 177.4648 63 Y 4.2844 7.5904 114.5370 57.7826 39.8659 177.4241 64 W 5.0250 8.1291 118.5115 57.4157 31.5099 173.9132 65 C 5.5886 8.0949 112.1641 52.5208 46.6341 172.4165 66 N 5.1121 9.0039 119.4836 52.0431 40.3808 174.7313 67 D 4.8125 8.6192 123.4462 52.2498 40.5495 177.9411 68 G 4.1026 8.5496 110.2157 46.0414 0.0000 174.8515 69 K 4.3623 7.8906 115.9239 56.7409 33.2942 176.2451 70 T 4.4516 7.4872 116.6360 62.0487 68.7708 173.1519 71 P 4.3408 0.0000 0.0000 63.2626 32.0186 176.2613 72 G 4.0829 8.4615 106.8762 46.5892 0.0000 173.0588 73 A 4.6766 7.0740 119.4827 50.2684 21.3852 176.9213 74 V 4.3146 8.6448 118.5689 61.7654 34.4013 174.4572 75 N 4.7545 8.4937 120.7823 51.6409 39.3474 174.2718 76 A 4.1380 9.2119 127.6657 54.6970 18.5241 178.5621 77 A 4.1458 8.0166 114.7896 52.8341 19.2056 178.6525 78 H 4.1492 7.6051 110.3993 56.5773 26.7718 174.8298 79 L 4.5847 7.6057 119.2335 53.3406 43.5637 175.6029 80 S 4.7580 8.1624 114.7267 57.6782 63.4936 175.9989 81 C 4.1384 8.6356 124.3087 59.5664 40.8117 176.3882 82 S 3.9208 7.6334 115.0519 61.3043 62.0796 175.9395 83 A 4.0728 7.9518 123.1227 54.6586 17.7417 178.5109 84 L 4.4029 7.6389 116.0003 55.0872 41.6783 177.7197 85 L 4.9937 7.8305 117.2699 54.4722 42.6670 176.8147 86 Q 4.3247 7.4608 117.1810 55.5146 29.2932 176.1910 87 D 4.3825 8.5093 119.4563 56.9005 41.1253 176.5376 88 N 4.6334 8.0063 118.1005 52.8457 39.0402 174.4753 89 I 4.2441 8.4448 119.3120 61.2011 37.9519 177.1599 90 A 3.9318 8.2711 125.0743 55.9557 18.0965 180.2977 91 D 4.2909 8.0621 116.5919 57.4448 40.9573 178.6314 92 A 4.0824 8.0259 120.8461 55.2209 18.3814 179.7327 93 V 3.3917 8.1423 116.7743 65.8340 31.6401 178.1529 94 A 3.8232 7.9627 120.3971 54.9536 18.2550 179.4363 95 A 3.9173 8.3237 119.3249 55.4341 18.4177 179.7495 96 A 4.0990 8.1359 119.3019 55.1812 18.0353 180.1115 97 K 3.8337 7.4961 116.4303 59.4530 32.4025 179.1518 98 R 4.0481 7.8000 118.8622 59.3193 30.1060 178.6153 99 V 2.0893 7.2907 117.8518 65.6550 31.2324 178.0480 100 V 3.8654 7.2399 108.8742 62.6550 31.5893 177.6347 101 R 4.1142 7.5486 117.7172 57.1550 30.5588 175.9167 102 D 4.7474 7.3540 118.5555 53.1130 41.8605 175.3860 103 P 4.2352 0.0000 0.0000 66.0606 31.1678 177.6039 104 Q 3.9741 8.1459 119.3989 56.6180 30.4628 176.7324 105 G 3.6387 7.9836 107.1879 46.1759 0.0000 176.0368 106 I 3.4846 7.7299 120.1338 63.3479 37.9698 177.8408 107 R 4.3237 7.3448 117.5407 57.8213 29.9216 177.5414 108 A 4.0406 7.6640 120.5451 53.8420 18.6598 177.3812 109 W 4.7096 8.0153 116.9515 55.1521 29.9270 177.1736 110 V 3.7206 8.7453 124.0465 66.1164 30.8336 177.5574 111 A 4.0738 8.3217 119.9781 54.8143 18.0860 179.2596 112 W 3.9519 8.4209 127.1037 60.6828 30.5677 178.4719 113 R 3.6787 8.0984 116.5187 59.1434 29.6381 178.4329 114 N 4.3962 7.8828 115.2993 55.5487 38.7583 176.8393 115 R 4.2122 7.6261 113.1025 55.8086 30.4401 174.8493 116 C 4.5407 7.1283 115.1691 58.5154 42.5403 173.9366 117 Q 3.2457 6.3561 118.9318 57.5321 28.5533 176.0089 118 N 4.1843 8.7037 121.0342 54.4529 36.1260 173.6181 119 R 4.5332 7.4093 114.9927 53.9739 33.5282 175.0242 120 D 4.5795 8.4932 118.4709 54.0825 40.6525 175.9990 121 V 4.5494 8.2603 119.5421 61.3582 32.7689 178.1060 122 R 4.0001 7.9320 120.8126 59.5940 29.6601 178.4710 123 Q 4.0007 8.0844 115.5566 59.4884 28.2790 178.1181 124 Y 4.4009 7.9776 117.6545 59.7741 38.0571 176.6106 125 V 4.4265 7.7443 111.2557 60.6045 32.9958 174.7451 126 Q 3.9832 8.0569 122.3491 57.2238 29.1617 176.2232 127 G 3.9595 9.0050 113.1261 45.9548 0.0000 174.3197 128 C 4.4374 7.8781 116.3512 56.6679 40.6735 173.9032 129 G 3.8186 8.1960 107.1694 46.9105 0.0000 174.0853 130 V 4.0178 7.8307 117.9022 61.1183 32.2825 175.8653 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 K 8.17 4.17 0.00 1.86 1.68 0.00 1.29 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.15 7.81 2 V 8.21 4.54 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 10.07 4.37 0.00 2.82 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 4 E 8.88 4.32 0.00 1.92 1.86 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 2.29 2.38 0.00 5 R 8.98 3.31 0.00 1.92 1.91 0.00 3.42 0.00 0.00 3.47 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 6 C 8.03 4.30 0.00 3.00 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 7 E 8.13 3.89 0.00 2.06 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 0.00 2.60 2.42 0.00 8 L 8.05 3.59 0.00 1.30 1.36 -0.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.77 3.92 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 10 R 8.00 3.90 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 11 T 7.82 3.85 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 1.22 0.00 0.00 12 L 8.08 3.88 0.00 1.75 1.56 0.94 0.66 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 13 K 8.03 3.88 0.00 1.94 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.99 3.93 0.00 1.93 2.07 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.44 4.35 0.00 1.69 1.55 0.88 0.66 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 16 G 7.88 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 17 M 7.82 3.90 0.00 1.26 1.92 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 18 D 7.98 4.54 0.00 2.66 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 19 G 9.24 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 0.00 0.00 0.00 20 Y 8.35 4.20 0.00 3.31 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 21 R 9.09 3.65 0.00 1.92 1.85 0.00 3.20 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.42 0.00 22 G 8.14 3.80 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 0.00 0.00 0.00 23 I 7.69 4.03 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.34 -0.28 0.00 0.00 24 S 8.32 4.62 0.00 4.12 4.04 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 0.00 0.00 0.00 25 L 8.53 4.17 0.00 1.98 1.80 0.98 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 26 A 8.23 4.16 1.52 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 0.00 0.00 27 N 7.79 4.48 0.00 2.91 2.72 0.00 0.00 6.92 7.55 0.00 0.00 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 W 7.98 4.22 0.00 3.52 3.14 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 0.00 29 M 8.51 4.21 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.90 0.00 30 C 8.09 3.03 0.00 2.69 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 31 L 8.16 3.97 0.00 1.82 1.84 0.61 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.24 3.97 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.06 2.73 0.00 1.67 1.64 0.00 0.64 0.00 0.00 1.07 0.00 0.00 2.60 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.05 0.21 7.81 34 W 7.52 4.27 0.00 3.35 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 35 E 8.49 4.33 0.00 1.99 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 2.56 2.34 0.00 36 S 8.02 4.50 0.00 4.05 4.11 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 37 G 7.95 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 38 Y 7.61 3.61 0.00 3.22 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 39 N 7.52 5.35 0.00 2.71 2.79 0.00 0.00 7.02 7.10 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 40 T 8.97 4.02 4.44 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 0.00 0.00 0.00 1.43 0.00 0.00 41 R 7.97 4.33 0.00 2.02 2.10 0.00 3.09 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 42 A 7.77 4.31 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 43 T 8.48 5.02 4.04 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 0.00 0.00 1.35 0.00 0.00 44 N 8.83 4.84 0.00 3.00 2.68 0.00 0.00 6.89 7.10 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 45 Y 8.78 4.66 0.00 2.92 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 46 N 8.63 4.53 0.00 2.58 2.65 0.00 0.00 6.52 7.11 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 47 A 8.43 3.70 1.32 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 0.00 0.00 0.00 48 G 8.11 3.80 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 0.00 0.00 0.00 49 D 7.51 4.73 0.00 2.69 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 50 R 7.92 3.75 0.00 2.00 2.16 0.00 3.14 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 51 S 7.52 4.94 0.00 3.83 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 52 T 8.92 5.06 4.04 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 0.00 0.00 0.73 0.00 0.00 53 D 9.05 5.48 0.00 2.70 2.73 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 54 Y 9.08 5.00 0.00 2.94 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 55 G 9.35 4.69 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 56 V 8.32 3.81 1.88 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 0.36 0.00 0.00 0.57 0.00 0.00 57 F 7.96 4.67 0.00 3.19 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 58 Q 7.85 3.61 0.00 2.54 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.78 0.00 59 I 8.53 4.49 2.16 0.00 0.00 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 1.46 1.19 1.21 0.00 0.00 60 N 9.23 5.27 0.00 3.00 3.02 0.00 0.00 6.97 7.41 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 61 S 9.02 4.80 0.00 4.18 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 0.00 62 R 8.75 3.73 0.00 1.56 1.16 0.00 2.54 0.00 0.00 2.81 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 63 Y 7.59 4.28 0.00 1.43 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 0.00 0.00 0.00 64 W 8.13 5.02 0.00 3.48 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 65 C 8.09 5.59 0.00 3.06 3.22 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 66 N 9.00 5.11 0.00 2.84 2.70 0.00 0.00 7.00 9.28 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 67 D 8.62 4.81 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 68 G 8.55 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 69 K 7.89 4.36 0.00 1.94 1.95 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 70 T 7.49 4.45 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 1.14 0.00 0.00 71 P 0.00 4.34 0.00 2.15 1.95 0.00 3.72 0.00 0.00 3.95 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 72 G 8.46 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 73 A 7.07 4.68 1.20 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 0.00 0.00 74 V 8.64 4.31 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 0.70 0.00 0.00 0.86 0.00 0.00 75 N 8.49 4.75 0.00 2.73 2.58 0.00 0.00 6.77 8.15 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 76 A 9.21 4.14 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 77 A 8.02 4.15 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 0.00 0.00 0.00 0.00 0.00 78 H 7.61 4.15 0.00 3.47 3.52 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.61 4.58 0.00 1.74 1.59 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.16 4.76 0.00 3.83 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 81 C 8.64 4.14 0.00 2.35 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 82 S 7.63 3.92 0.00 3.82 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 83 A 7.95 4.07 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 84 L 7.64 4.40 0.00 1.94 1.81 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.83 4.99 0.00 1.77 1.73 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.46 4.32 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 87 D 8.51 4.38 0.00 2.65 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 88 N 8.01 4.63 0.00 2.69 2.75 0.00 0.00 6.98 7.94 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 89 I 8.44 4.24 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.37 0.95 0.00 0.00 90 A 8.27 3.93 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 91 D 8.06 4.29 0.00 2.72 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 92 A 8.03 4.08 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 93 V 8.14 3.39 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 0.71 0.00 0.00 0.89 0.00 0.00 94 A 7.96 3.82 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 95 A 8.32 3.92 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 96 A 8.14 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.50 3.83 0.00 1.64 1.48 0.00 1.26 0.00 0.00 0.70 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.93 7.81 98 R 7.80 4.05 0.00 1.99 2.10 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 99 V 7.29 2.09 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 -0.07 0.00 0.00 -0.53 0.00 0.00 100 V 7.24 3.87 2.11 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 0.99 0.00 0.00 1.39 0.00 0.00 101 R 7.55 4.11 0.00 2.15 2.04 0.00 3.33 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 102 D 7.35 4.75 0.00 3.15 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 0.00 103 P 0.00 4.24 0.00 2.15 2.19 0.00 3.78 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 1.97 0.00 104 Q 8.15 3.97 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 105 G 7.98 3.64 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 0.00 0.00 0.00 106 I 7.73 3.48 0.93 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 -0.30 -0.36 -0.65 0.00 0.00 107 R 7.34 4.32 0.00 2.05 2.04 0.00 3.25 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 108 A 7.66 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.02 4.71 0.00 3.50 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 0.00 110 V 8.75 3.72 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.32 4.07 1.52 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 0.00 0.00 112 W 8.42 3.95 0.00 3.51 3.50 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 0.00 113 R 8.10 3.68 0.00 2.04 1.96 0.00 3.61 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 114 N 7.88 4.40 0.00 2.71 2.72 0.00 0.00 6.89 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 0.00 115 R 7.63 4.21 0.00 0.99 1.20 0.00 2.78 0.00 0.00 2.87 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.00 116 C 7.13 4.54 0.00 1.72 2.73 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 0.00 117 Q 6.36 3.25 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 118 N 8.70 4.18 0.00 2.81 2.83 0.00 0.00 6.88 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 0.00 119 R 7.41 4.53 0.00 1.84 1.81 0.00 3.19 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 120 D 8.49 4.58 0.00 2.62 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 0.00 121 V 8.26 4.55 2.39 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 0.89 0.00 0.00 1.06 0.00 0.00 122 R 7.93 4.00 0.00 1.99 2.03 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 123 Q 8.08 4.00 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.12 0.00 0.00 0.00 0.00 0.00 2.06 1.60 0.00 124 Y 7.98 4.40 0.00 3.19 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 0.00 125 V 7.74 4.43 2.13 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 0.86 0.00 0.00 1.06 0.00 0.00 126 Q 8.06 3.98 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 127 G 9.01 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 0.00 128 C 7.88 4.44 0.00 3.02 3.14 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 0.00 129 G 8.20 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 0.00 130 V 7.83 4.02 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 0.74 0.00 0.00 0.96 0.00 0.00