NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1760 8.1727 122.0531 56.3023 34.1016 174.0174 2 V 4.6394 8.2113 127.3129 60.7643 32.2183 174.5142 3 F 4.3084 10.2103 129.3290 57.5246 40.2171 174.9201 4 E 4.2627 8.7485 121.4077 55.5776 30.9606 176.8707 5 R 3.3031 8.9951 121.5552 60.7822 29.9792 179.4779 6 C 4.3356 8.0265 115.2742 59.6637 35.5687 175.7060 7 E 3.9075 8.1161 120.7186 59.2771 29.2268 178.5105 8 L 3.6912 8.0596 120.0952 57.7955 42.0806 178.6166 9 A 3.9339 7.8465 120.7549 55.4386 18.4856 179.8893 10 R 3.8976 8.0287 116.4120 59.5600 30.2096 179.5121 11 T 3.8664 7.8380 115.3966 66.7142 68.5123 176.7603 12 L 3.8892 8.0363 121.0810 57.4887 41.5686 179.4807 13 K 3.9212 7.9851 119.6337 59.5498 31.9238 178.8992 14 R 3.9578 7.6943 117.5924 58.9921 30.0479 177.5163 15 L 4.3472 7.4412 115.9079 54.0227 41.8610 176.6656 16 G 3.8069 7.8227 106.8299 47.1352 0.0000 175.0926 17 M 3.8910 7.8515 120.6043 56.0655 32.6017 175.8841 18 D 4.3599 7.9989 117.9022 55.9956 41.1863 175.7157 19 G 3.9501 9.3915 115.6043 45.4892 0.0000 171.3678 20 Y 4.2237 8.2575 121.9676 58.6161 38.9582 176.3553 21 R 3.5652 8.9734 126.9798 57.3169 27.7545 177.2403 22 G 3.8114 8.0401 103.1231 45.7506 0.0000 173.9843 23 I 4.1157 7.6646 122.1715 59.0687 38.1180 175.9049 24 S 4.6487 8.3279 120.3013 57.6748 63.9943 174.8630 25 L 4.2223 9.0388 123.4521 58.6877 41.7832 179.3833 26 A 4.1582 8.2029 119.9171 55.2326 18.1860 179.2404 27 N 4.4845 8.1584 114.8343 56.2469 38.6296 177.6860 28 W 4.1888 8.0018 119.9401 59.9927 29.1320 178.3655 29 M 4.1837 8.5208 118.9053 58.4735 31.4095 177.9627 30 C 3.1397 8.0946 118.6253 59.0696 44.9038 175.3160 31 L 3.9402 8.2006 121.8057 58.2972 41.7877 178.8373 32 A 4.1129 8.3046 120.7015 54.8712 18.2844 179.4042 33 K 2.7577 8.1400 118.2041 59.3786 32.0397 179.1539 34 W 4.1770 7.6169 117.2471 59.1344 29.0392 178.3946 35 E 4.3240 8.2611 118.6547 58.6683 28.8960 177.7778 36 S 4.5055 7.7161 109.0493 56.6365 64.7644 174.2268 37 G 3.1397 8.0818 108.8242 47.0865 0.0000 173.3166 38 Y 3.6410 7.5901 113.0300 58.6629 35.2007 168.9379 39 N 5.3765 7.6284 118.1646 51.9809 40.2038 175.3564 40 T 4.1658 9.1657 117.8239 63.7121 69.9633 175.8982 41 R 4.5477 8.1104 117.1421 55.7460 30.4773 176.5141 42 A 4.3401 7.8212 122.4403 52.6553 19.3093 177.2788 43 T 4.9601 8.4293 111.6724 60.0351 72.3373 173.6103 44 N 4.8265 8.6339 120.9645 52.0338 42.5668 172.9406 45 Y 4.4233 8.7067 126.3663 57.4760 40.5492 174.1357 46 N 4.7132 8.7082 125.2098 51.1293 38.1702 175.2096 47 A 3.6846 8.2858 127.1176 54.8815 18.7949 179.4238 48 G 3.7369 7.9949 103.8908 48.0663 0.0000 173.7382 49 D 4.6781 7.3587 114.8265 52.0912 40.4545 175.6890 50 R 3.9989 8.1425 116.2779 57.0358 28.2225 175.8452 51 S 4.9435 7.6766 112.4237 57.1932 66.2690 172.8552 52 T 5.0282 8.6521 115.8334 61.9367 72.7414 172.8194 53 D 5.4511 8.8506 125.2841 53.1186 43.0736 175.4675 54 F 5.0536 9.2274 121.9631 56.9142 42.6399 177.0473 55 G 4.4875 9.0396 111.4365 46.0541 0.0000 173.4447 56 I 3.9657 8.3251 117.0151 63.0484 37.9143 177.6336 57 F 4.6608 7.9705 115.3229 56.4917 39.9604 175.1898 58 Q 3.6628 7.7579 118.8100 57.1057 26.3778 173.9070 59 I 4.4544 8.1971 119.2483 60.8411 39.2846 176.9758 60 N 5.2483 9.2420 126.4207 53.6309 39.6362 175.7410 61 S 4.6688 9.0562 120.6168 60.3268 63.4192 175.4927 62 R 3.7385 8.7893 122.2318 58.6458 30.3384 177.7980 63 Y 4.2818 7.6293 114.4970 57.9065 40.7397 177.2032 64 W 4.6660 8.0477 119.0654 57.7466 30.3516 173.6596 65 C 5.5731 7.8849 110.6217 53.5106 45.8304 171.8036 66 N 4.8420 8.8947 119.6020 52.1434 39.7246 174.7927 67 D 4.8139 8.5362 123.0566 52.2668 40.4390 178.1339 68 G 4.1017 8.4665 110.3970 46.1926 0.0000 174.8705 69 K 4.3672 8.0667 116.2184 56.7405 33.0619 176.1145 70 T 4.4119 7.7029 117.2317 61.6539 69.2576 172.8894 71 P 4.2584 0.0000 0.0000 63.7848 31.8731 176.2810 72 G 3.9198 8.5577 109.9458 46.4567 0.0000 172.8179 73 A 4.6519 7.8139 118.8727 50.4577 20.7923 177.7089 74 V 4.2816 8.4004 113.1652 59.2464 35.2202 175.8081 75 N 4.9548 8.0423 117.9037 51.8330 37.5698 174.3731 76 A 3.9384 8.7811 124.9973 55.0947 19.1086 178.5480 77 C 4.4855 8.4861 110.7665 57.3783 41.0422 173.0412 78 H 4.1891 7.8602 116.5316 56.7083 26.4013 174.3931 79 L 4.8345 8.2933 117.4558 52.8353 46.3446 176.7912 80 S 4.6153 8.3660 115.7954 57.9772 63.3304 175.9829 81 C 4.0831 8.6012 124.0843 59.6310 39.7978 176.3670 82 S 3.9100 7.7498 114.5322 61.2916 61.6394 175.9625 83 A 4.1143 7.8242 122.5535 54.4532 17.9843 177.9210 84 L 4.4902 7.7511 116.4053 54.9570 41.6884 177.6204 85 L 5.0057 7.8317 116.9365 54.5178 42.4939 176.7600 86 Q 4.3636 7.8235 117.8674 55.4454 29.5430 175.9029 87 D 4.4420 8.5098 119.4501 57.0577 41.1776 176.9131 88 N 4.5566 8.0566 118.2325 53.2858 39.2268 174.5888 89 I 4.2521 8.4804 118.9338 61.0380 38.0120 177.0489 90 A 3.9399 8.6043 125.1655 56.0231 18.2131 180.1865 91 D 4.3016 8.0791 116.4789 57.4063 40.9053 178.6642 92 A 4.1157 7.9998 120.8870 55.1852 18.4327 179.7498 93 V 3.3692 8.1341 116.7221 65.9775 31.4739 178.1669 94 A 3.8580 7.9927 120.5925 55.1834 18.1780 178.8250 95 C 4.2258 8.3713 116.8872 59.6056 37.8869 175.5991 96 A 3.9376 8.1673 122.6640 54.9960 17.6017 179.7452 97 K 3.7844 7.5945 116.2635 59.4621 32.3225 179.1786 98 R 4.0667 7.5996 119.1171 59.2724 30.1396 178.5586 99 V 2.2326 7.3075 117.9137 65.7791 30.9049 178.1321 100 V 3.8538 7.5977 109.7647 62.7656 31.2538 177.6713 101 R 4.1314 7.5852 117.6314 57.0513 30.5110 175.8320 102 D 4.7691 7.4036 118.5156 52.9214 42.0698 175.2945 103 P 4.1779 0.0000 0.0000 66.3909 31.3347 177.8095 104 Q 4.0067 8.1601 117.2030 56.4126 29.9547 177.2324 105 G 3.6607 8.1021 107.3888 46.9358 0.0000 176.2597 106 I 3.5603 7.7811 120.5452 63.3886 37.9429 177.9042 107 R 4.1717 7.3576 117.5311 58.0290 30.0171 177.5279 108 A 4.0537 7.5364 120.6337 54.2506 18.6865 177.5944 109 W 4.7064 8.0489 117.0934 55.5059 29.7524 177.4713 110 V 3.7397 8.7511 123.8747 66.0117 30.8932 177.5853 111 A 4.0649 8.3111 120.1540 54.8029 18.0980 179.2453 112 W 3.9549 8.4236 126.9128 60.6518 30.5775 178.4592 113 R 3.6530 8.1640 116.4946 59.1957 29.6559 178.4296 114 N 4.3356 7.8567 114.9604 55.8728 38.7597 176.9612 115 R 4.0750 7.5880 115.6111 55.9942 31.3789 176.1451 116 C 4.5841 7.1170 114.7641 57.7218 42.8903 174.2737 117 Q 3.3105 6.6439 120.0172 57.2350 28.6861 175.5215 118 N 4.1791 8.6525 120.2950 54.2203 36.2003 173.8653 119 R 4.4589 7.3708 115.6864 54.2810 32.6628 176.0165 120 D 4.5857 8.3114 119.0571 53.7296 40.1842 175.9295 121 V 4.4021 8.1286 118.2972 61.4071 32.4453 178.5143 122 R 4.0324 8.1350 121.8737 59.3879 29.5810 178.5229 123 Q 3.9632 8.1262 116.8719 59.8044 27.9158 178.6467 124 Y 4.1595 7.5903 117.1271 59.9485 38.1137 177.0457 125 V 4.3796 7.8313 110.8091 60.7610 32.9648 175.5236 126 Q 4.1216 7.5164 120.4139 57.2040 28.7674 176.9572 127 G 3.9556 8.9346 110.3975 45.9715 0.0000 174.5177 128 C 4.4226 7.9715 115.8553 56.7401 40.5954 174.0458 129 G 3.8800 8.1374 107.2064 46.7088 0.0000 174.1714 130 V 4.0069 7.8904 118.0923 61.0804 32.0571 175.8319 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 4.18 0.00 2.05 1.68 0.00 1.32 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.15 7.81 2 V 8.21 4.64 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 10.21 4.31 0.00 2.80 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 4 E 8.75 4.26 0.00 1.89 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 2.30 2.23 0.00 5 R 9.00 3.30 0.00 1.94 1.92 0.00 3.49 0.00 0.00 3.49 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 6 C 8.03 4.34 0.00 3.00 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 7 E 8.12 3.91 0.00 2.05 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 2.51 2.39 0.00 8 L 8.06 3.69 0.00 1.44 1.40 -0.13 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 3.93 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 10 R 8.03 3.90 0.00 1.89 1.99 0.00 3.14 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 1.65 1.83 0.00 11 T 7.84 3.87 4.31 0.00 0.00 0.00 0.00 0.00 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 12 L 8.04 3.89 0.00 1.61 1.58 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.99 3.92 0.00 1.94 1.94 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.69 3.96 0.00 2.00 2.09 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 1.68 1.55 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.82 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 0.00 0.00 0.00 17 M 7.85 3.89 0.00 1.29 1.95 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 18 D 8.00 4.36 0.00 2.67 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 9.39 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 8.26 4.22 0.00 3.16 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 21 R 8.97 3.57 0.00 1.88 1.83 0.00 3.21 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 22 G 8.04 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 0.00 0.00 0.00 23 I 7.66 4.12 1.83 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 0.92 0.63 -0.14 0.00 0.00 24 S 8.33 4.65 0.00 4.07 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 9.04 4.22 0.00 2.09 1.82 0.98 1.13 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 26 A 8.20 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 8.16 4.48 0.00 2.82 2.71 0.00 0.00 6.89 8.02 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 28 W 8.00 4.19 0.00 3.56 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 8.52 4.18 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.91 0.00 30 C 8.09 3.14 0.00 2.71 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 31 L 8.20 3.94 0.00 1.82 1.83 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.30 4.11 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 33 K 8.14 2.76 0.00 1.46 1.68 0.00 0.70 0.00 0.00 1.13 0.00 0.00 2.61 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.98 0.21 7.81 34 W 7.62 4.18 0.00 3.34 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 35 E 8.26 4.32 0.00 2.00 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 2.57 2.36 0.00 36 S 7.72 4.51 0.00 4.07 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 37 G 8.08 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 0.00 0.00 0.00 38 Y 7.59 3.64 0.00 3.21 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 39 N 7.63 5.38 0.00 2.77 2.79 0.00 0.00 7.01 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 9.17 4.17 4.47 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 0.00 0.00 0.00 1.50 0.00 0.00 41 R 8.11 4.55 0.00 1.90 2.09 0.00 3.09 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 42 A 7.82 4.34 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 43 T 8.43 4.96 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 1.36 0.00 0.00 44 N 8.63 4.83 0.00 2.92 2.72 0.00 0.00 6.63 7.63 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 45 Y 8.71 4.42 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 46 N 8.71 4.71 0.00 2.63 2.60 0.00 0.00 6.49 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 47 A 8.29 3.68 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 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 49 D 7.36 4.68 0.00 2.70 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 50 R 8.14 4.00 0.00 2.05 2.21 0.00 3.13 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 51 S 7.68 4.94 0.00 3.91 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 52 T 8.65 5.03 4.03 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 0.46 0.00 0.00 53 D 8.85 5.45 0.00 2.69 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 54 F 9.23 5.05 0.00 3.06 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 55 G 9.04 4.49 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 56 I 8.33 3.97 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.78 0.10 0.00 0.00 57 F 7.97 4.66 0.00 3.22 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 58 Q 7.76 3.66 0.00 2.56 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 59 I 8.20 4.45 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 1.16 0.00 0.00 60 N 9.24 5.25 0.00 3.02 3.06 0.00 0.00 6.97 7.50 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 61 S 9.06 4.67 0.00 4.10 4.47 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 0.00 0.00 0.00 0.00 62 R 8.79 3.74 0.00 1.58 1.24 0.00 2.63 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 63 Y 7.63 4.28 0.00 1.43 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 0.00 0.00 0.00 64 W 8.05 4.67 0.00 3.65 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 5.57 0.00 3.14 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 66 N 8.89 4.84 0.00 2.79 2.70 0.00 0.00 7.09 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 8.54 4.81 0.00 2.98 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 68 G 8.47 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 8.07 4.37 0.00 1.92 1.94 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 70 T 7.70 4.41 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 1.17 0.00 0.00 71 P 0.00 4.26 0.00 2.02 1.98 0.00 3.83 0.00 0.00 3.90 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 72 G 8.56 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 73 A 7.81 4.65 1.23 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 74 V 8.40 4.28 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 0.63 0.00 0.00 0.87 0.00 0.00 75 N 8.04 4.95 0.00 2.78 2.66 0.00 0.00 6.75 8.05 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 76 A 8.78 3.94 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 77 C 8.49 4.49 0.00 3.31 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 78 H 7.86 4.19 0.00 3.32 3.34 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 79 L 8.29 4.83 0.00 1.68 1.49 0.96 0.70 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 80 S 8.37 4.62 0.00 3.83 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 81 C 8.60 4.08 0.00 2.13 1.19 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 82 S 7.75 3.91 0.00 3.84 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 7.82 4.11 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 84 L 7.75 4.49 0.00 1.93 1.81 1.06 0.34 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 85 L 7.83 5.01 0.00 1.80 1.72 1.12 0.91 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 86 Q 7.82 4.36 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 87 D 8.51 4.44 0.00 2.64 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 88 N 8.06 4.56 0.00 2.70 2.75 0.00 0.00 6.96 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 8.48 4.25 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.39 0.99 0.00 0.00 90 A 8.60 3.94 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 8.08 4.30 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 8.00 4.12 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 93 V 8.13 3.37 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 0.70 0.00 0.00 0.87 0.00 0.00 94 A 7.99 3.86 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 95 C 8.37 4.23 0.00 3.15 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 96 A 8.17 3.94 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 7.59 3.78 0.00 1.65 1.48 0.00 1.28 0.00 0.00 0.83 0.00 0.00 2.17 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.92 7.81 98 R 7.60 4.07 0.00 1.90 2.13 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 99 V 7.31 2.23 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 -0.23 0.00 0.00 -0.67 0.00 0.00 100 V 7.60 3.85 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 1.14 0.00 0.00 1.45 0.00 0.00 101 R 7.59 4.13 0.00 2.14 2.09 0.00 3.33 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 102 D 7.40 4.77 0.00 3.12 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 0.00 103 P 0.00 4.18 0.00 2.14 2.21 0.00 3.77 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 1.98 2.02 0.00 104 Q 8.16 4.01 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.92 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 8.10 3.66 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 0.00 0.00 0.00 106 I 7.78 3.56 1.03 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 -0.54 0.00 0.00 107 R 7.36 4.17 0.00 2.09 2.02 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.57 0.00 108 A 7.54 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.05 4.71 0.00 3.50 3.24 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 0.00 110 V 8.75 3.74 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 1.10 0.00 0.00 1.00 0.00 0.00 111 A 8.31 4.06 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 3.49 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 8.16 3.65 0.00 2.08 1.98 0.00 3.54 0.00 0.00 3.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 114 N 7.86 4.34 0.00 2.68 2.70 0.00 0.00 6.97 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 0.00 115 R 7.59 4.08 0.00 0.88 0.77 0.00 2.83 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.00 116 C 7.12 4.58 0.00 1.74 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 0.00 117 Q 6.64 3.31 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 118 N 8.65 4.18 0.00 2.80 2.82 0.00 0.00 6.92 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 7.37 4.46 0.00 1.85 1.82 0.00 3.15 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 120 D 8.31 4.59 0.00 2.63 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 0.00 121 V 8.13 4.40 2.43 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 1.01 0.00 0.00 1.06 0.00 0.00 122 R 8.14 4.03 0.00 1.94 2.01 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 123 Q 8.13 3.96 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.09 1.54 0.00 124 Y 7.59 4.16 0.00 3.27 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 0.00 125 V 7.83 4.38 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 1.11 0.00 0.00 1.07 0.00 0.00 126 Q 7.52 4.12 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 127 G 8.93 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 7.97 4.42 0.00 3.04 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 8.14 3.88 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 0.00 0.00 0.00 130 V 7.89 4.01 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 0.83 0.00 0.00 0.96 0.00 0.00