NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4114 8.2893 120.3486 55.3713 33.0271 174.6814 2 N 4.6656 8.5836 124.0962 51.3789 38.9504 172.9963 3 I 4.5812 8.8166 121.2510 59.5625 41.8061 176.3575 4 I 4.3637 8.3173 123.8703 59.6441 38.4222 175.1330 5 K 4.4493 8.5902 124.8217 54.3882 34.0344 176.2965 6 A 4.5570 8.3767 126.3800 50.8261 21.1137 175.0659 7 N 5.0650 8.1663 116.7193 51.9262 41.4796 175.6324 8 V 3.8902 8.1978 114.5501 62.8031 32.2670 176.7947 9 A 4.2661 8.0770 123.5324 52.0231 18.6612 177.8075 10 A 4.5560 8.3247 122.0517 51.2778 21.2818 174.0953 11 P 4.7709 0.0000 0.0000 65.0020 32.1498 178.6220 12 D 4.7771 8.0726 116.0538 54.2345 40.6022 175.8069 13 A 4.6330 7.5917 124.8470 51.8268 20.2282 178.2601 14 R 4.8399 9.6173 120.5309 55.0857 32.8305 175.9241 15 V 4.9384 8.8477 124.2079 59.9870 34.8988 173.9362 16 A 4.9547 8.4546 128.5490 50.0609 21.6074 175.1322 17 I 4.7956 8.6078 123.7502 59.6102 39.6307 174.6885 18 T 4.7888 8.5193 117.8507 60.0102 70.8243 173.4963 19 I 5.1547 8.3535 126.5598 58.2064 40.5651 174.5071 20 A 5.1104 8.4359 127.9268 51.3060 19.1950 177.9984 21 R 4.4354 9.3374 119.6896 58.4442 30.2312 176.9493 22 F 4.6266 8.1908 121.4587 59.8945 39.7620 174.3060 23 N 4.6398 9.8580 123.9200 54.5928 35.5746 176.1888 24 Q 4.2011 8.2782 120.1780 59.3893 28.1137 177.7738 25 F 3.7598 8.4630 121.5077 61.2809 39.4287 176.5701 26 I 4.1913 8.1895 118.4891 63.8619 37.4852 177.9280 27 N 4.4092 8.2339 116.5873 56.0894 38.2831 176.9348 28 D 4.5637 8.8604 121.3761 57.6615 41.0261 178.7811 29 S 4.0544 7.9798 112.9010 61.1252 62.3858 175.4733 30 L 4.0729 7.8262 123.1873 58.6452 41.6483 178.3395 31 L 3.8648 8.3404 120.4977 57.6685 41.9958 178.5668 32 D 4.5004 8.5427 118.5997 57.3737 40.9732 179.7811 33 G 3.5850 8.1829 105.7197 47.7614 0.0000 175.3453 34 A 3.9168 7.8108 123.3784 54.6798 18.4388 179.3437 35 V 3.4446 7.8935 116.7432 66.3345 31.5623 177.2978 36 D 4.2985 8.1166 117.1185 57.6513 40.9361 177.7977 37 A 3.9239 8.3348 121.0714 55.7371 18.3599 179.0592 38 L 3.8976 8.4473 116.9159 59.2129 41.8532 179.7369 39 T 4.2360 8.2745 111.1576 63.8601 68.5598 176.1827 40 R 3.8728 8.1726 123.9986 58.3403 30.6821 178.0843 41 I 4.0658 8.0493 117.1903 63.5234 37.8133 177.1674 42 G 3.7330 7.9314 106.5337 45.2336 0.0000 174.0043 43 Q 3.6642 8.3344 120.0786 56.5646 28.0927 172.7079 44 V 3.9457 7.5415 116.8559 61.8193 32.1821 175.2123 45 K 4.2005 8.5758 128.9408 56.2632 32.5620 176.6455 46 D 4.6647 8.8111 124.1974 54.0518 39.0809 176.1714 47 D 4.8084 7.9957 117.0910 53.7403 40.1740 176.2822 48 N 4.7263 8.4883 117.7421 53.6096 39.4126 174.0791 49 I 4.9692 7.5952 120.2426 60.2800 38.3657 175.1883 50 T 4.7124 8.7763 117.3775 59.6951 71.8890 173.0468 51 V 4.6185 8.4076 123.6413 61.0749 34.1341 174.5177 52 V 4.2991 9.0245 129.0508 60.8494 33.6280 174.5459 53 W 4.9380 8.9819 129.1390 56.4326 29.5487 176.5335 54 V 4.3457 8.5734 119.0730 59.1613 33.6014 174.8933 55 P 4.3281 0.0000 0.0000 65.0724 31.4082 177.0643 56 G 4.4619 7.9628 108.3854 42.7576 0.0000 174.0842 57 A 4.0415 8.5012 120.5930 54.9246 18.0696 179.2440 58 Y 4.2103 8.1845 117.0178 60.5952 39.1967 177.3673 59 E 4.1557 8.2308 119.0506 57.8951 29.6986 178.6370 60 L 3.8526 7.5889 119.5770 58.0114 41.5924 177.0403 61 P 4.1693 0.0000 0.0000 64.9261 31.1205 177.9994 62 L 3.8986 7.7030 117.9099 58.4570 42.3424 179.3071 63 A 3.9809 7.8486 120.2665 55.5966 18.3149 179.8233 64 T 3.8149 8.2198 108.5364 64.5453 68.6862 176.1253 65 E 3.8481 9.0253 122.9024 59.1929 29.6453 178.2753 66 A 4.0074 8.0211 120.5944 55.6358 18.1797 179.5605 67 L 4.1038 7.6202 114.9308 58.0026 41.9668 179.4878 68 A 4.2304 8.4589 121.0292 55.0821 18.1726 179.8283 69 K 3.9433 8.2741 116.4847 59.5915 32.1528 178.9641 70 S 4.1907 8.1055 112.9129 59.4744 61.9960 176.0358 71 G 3.9611 8.4247 110.3085 46.4122 0.0000 176.1670 72 K 3.5120 7.6846 120.4036 56.4230 31.8191 182.1998 73 Y 5.1206 6.9834 113.3636 56.7743 40.6110 175.5234 74 D 4.7074 9.3473 122.4533 56.1507 41.8347 176.5489 75 A 4.5414 7.3685 117.1287 51.2047 22.4017 175.0988 76 V 4.7258 8.2187 120.5535 61.0328 34.5898 174.4614 77 V 4.3869 8.7650 128.1959 61.4392 33.4034 174.1242 78 A 4.9881 8.5984 130.1988 49.6820 20.8684 175.1946 79 L 5.3220 7.9185 123.2327 52.6566 44.3965 176.3324 80 G 4.2243 7.7548 108.2481 45.8869 0.0000 171.8946 81 T 5.0903 8.5439 116.2450 61.4810 71.9698 174.2697 82 V 4.2262 9.1472 125.1921 61.3511 34.0322 173.9257 83 I 4.7742 8.1846 128.6391 59.5570 38.7803 175.9497 84 R 3.6412 8.4197 127.5947 56.5203 30.2415 176.3634 85 G 4.4146 8.3626 116.3297 44.4175 0.0000 173.0220 86 G 3.6437 8.7851 107.7930 47.4609 0.0000 173.3580 87 T 4.5206 7.5958 108.3726 59.7283 71.5490 173.4489 88 A 4.4986 8.3644 121.2235 52.7922 18.8202 178.8393 89 H 4.3325 8.3727 120.8198 60.4228 29.6759 176.9207 90 F 4.0564 8.4874 122.0972 61.5429 38.9915 176.6051 91 E 3.5905 7.8951 117.9592 59.5543 29.3522 178.4160 92 Y 4.3165 7.3937 115.9130 60.8560 38.2391 177.4627 93 V 3.6936 7.6674 119.0607 65.8235 31.5818 177.7677 94 A 4.0823 7.8368 120.3735 55.1616 18.0953 179.7457 95 G 3.6004 8.1078 104.6274 47.8280 0.0000 176.0400 96 G 3.8582 8.6107 108.0298 45.6684 0.0000 174.7865 97 A 4.2758 7.8493 122.7757 54.3632 19.6742 179.1564 98 S 4.1359 8.2090 111.7621 61.8669 62.3586 176.2617 99 N 4.4428 8.5239 119.4175 55.9660 38.3260 177.3864 100 G 3.7143 7.6971 106.0172 48.0367 0.0000 175.4267 101 L 3.9910 8.0160 121.6482 57.2730 41.8986 179.5883 102 A 3.9805 7.9950 120.5131 55.1202 18.2277 179.5940 103 S 3.9623 8.2953 111.7016 61.5381 62.4725 176.1727 104 V 3.5466 7.7955 120.7156 66.2342 31.0948 177.7357 105 A 4.3581 7.8541 121.3211 54.8447 18.0267 179.4501 106 Q 3.8942 7.6724 116.2800 59.1812 29.1373 177.7659 107 D 4.5317 8.0957 119.5177 56.9277 41.2473 178.4275 108 S 4.3662 8.3071 112.9696 58.6261 63.5002 175.5753 109 G 3.8861 8.1059 109.6081 45.6806 0.0000 173.6921 110 V 3.9854 7.6066 121.0224 61.5342 33.0761 173.6104 111 P 4.5499 0.0000 0.0000 62.6960 32.4548 175.1686 112 V 4.9042 8.4115 123.5198 61.0171 34.1353 174.1852 113 A 4.5019 8.8867 130.1577 50.8141 20.6372 176.1961 114 F 4.7714 9.0108 126.5623 56.1676 38.4653 175.8818 115 G 3.9811 8.0988 118.1122 44.9202 0.0000 170.7947 116 V 4.6098 6.1152 117.5347 60.6089 33.9494 176.0326 117 L 4.2798 8.7922 129.3867 55.0623 42.8134 176.5324 118 T 5.2482 8.5205 112.9373 59.8389 68.9164 172.5767 119 T 4.6139 8.7075 121.0561 60.9629 71.9903 175.1841 120 E 4.1127 9.7156 120.5483 57.3709 30.4127 177.2856 121 S 4.7110 7.5931 111.9543 55.5614 67.6474 174.7768 122 I 3.6648 8.2367 123.1475 64.3186 36.5870 177.9153 123 E 3.9140 8.2000 118.9546 59.8276 29.7362 178.6426 124 Q 4.2881 8.1573 117.3716 58.8358 28.8029 178.6929 125 A 4.0209 7.7610 121.8285 55.3750 18.3386 179.6988 126 I 3.7494 7.8949 118.2168 64.6950 37.1250 178.5454 127 E 4.5524 8.0797 120.1711 58.0294 29.3112 178.4001 128 R 4.5326 7.9096 115.7389 55.6446 30.5826 176.6213 129 A 4.7202 7.2739 122.0568 52.6677 19.5531 177.2004 130 G 4.4570 8.1830 107.7335 48.0611 0.0000 175.3172 131 T 4.5977 7.5035 115.3248 60.0271 68.8707 175.7524 132 K 3.8099 9.1890 117.1544 59.3658 31.7784 177.9010 133 A 4.5545 7.8189 119.2660 52.0900 19.9318 178.9388 134 G 3.7464 8.1061 110.6183 47.2407 0.0000 173.7580 135 N 5.2018 8.2442 117.8857 50.9580 40.9806 175.6389 136 K 4.0021 8.8702 128.9989 59.2867 32.0428 178.7690 137 G 4.1287 8.3105 107.7412 47.3542 0.0000 175.4251 138 A 4.0343 7.8642 122.8698 54.3266 18.5180 179.2685 139 E 3.8639 8.5204 117.9868 59.3310 29.7532 178.9126 140 A 4.0489 8.6203 122.3804 54.3828 18.4084 179.3070 141 A 3.9135 8.2122 119.5859 55.4163 18.3757 179.9124 142 L 3.9339 8.0226 117.5729 58.1991 41.3605 179.9604 143 T 3.8617 8.1344 109.3007 64.4130 68.5448 176.3346 144 A 3.9914 7.9649 124.0405 55.0772 18.3312 179.0682 145 L 3.8519 7.8806 116.9710 58.1946 41.8142 179.2741 146 E 4.1658 8.3777 120.2942 59.0702 29.4581 178.9222 147 M 4.0386 8.0074 118.2417 58.4454 31.9409 178.4348 148 I 3.6861 7.6238 119.8922 64.8485 37.2736 178.1811 149 N 4.3191 7.9406 116.7720 56.1944 38.1680 177.5013 150 V 3.5799 7.9434 119.0084 66.2640 31.7324 177.8353 151 L 4.0743 8.4571 118.8549 57.7179 41.3495 179.2711 152 K 3.8924 8.1820 118.9532 59.5293 32.1727 177.0480 153 A 4.4691 8.0709 119.8927 51.8945 19.3470 177.3146 154 I 3.9427 7.9515 128.3024 63.6059 38.7249 174.7629 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.67 0.00 2.95 2.79 0.00 0.00 6.07 6.93 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 3 I 8.82 4.58 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.36 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.59 4.45 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.56 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 7 N 8.17 5.06 0.00 2.73 2.64 0.00 0.00 6.87 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 8 V 8.20 3.89 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 0.74 0.00 0.00 0.93 0.00 0.00 9 A 8.08 4.27 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 10 A 8.32 4.56 1.24 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 0.00 0.00 11 P 0.00 4.77 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.78 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 13 A 7.59 4.63 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 14 R 9.62 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.85 4.94 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.45 4.95 0.22 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 17 I 8.61 4.80 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.74 0.00 0.00 18 T 8.52 4.79 4.13 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 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.35 5.15 0.76 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.15 0.43 0.00 0.00 20 A 8.44 5.11 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 21 R 9.34 4.44 0.00 2.09 2.52 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.64 0.00 22 F 8.19 4.63 0.00 3.16 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 23 N 9.86 4.64 0.00 2.97 2.98 0.00 0.00 6.89 7.85 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 24 Q 8.28 4.20 0.00 2.55 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.46 3.76 0.00 3.12 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 26 I 8.19 4.19 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 0.95 0.00 0.00 27 N 8.23 4.41 0.00 2.87 2.90 0.00 0.00 7.08 8.08 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 28 D 8.86 4.56 0.00 2.67 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 29 S 7.98 4.05 0.00 3.82 3.97 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 30 L 7.83 4.07 0.00 1.93 1.64 0.96 0.58 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 31 L 8.34 3.86 0.00 1.79 1.78 0.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.54 4.50 0.00 2.86 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 33 G 8.18 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.81 3.92 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 35 V 7.89 3.44 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 0.98 0.00 0.00 0.95 0.00 0.00 36 D 8.12 4.30 0.00 2.83 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 37 A 8.33 3.92 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 38 L 8.45 3.90 0.00 1.85 1.73 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.27 4.24 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 1.27 0.00 0.00 40 R 8.17 3.87 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.05 4.07 2.08 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 1.23 0.96 0.91 0.00 0.00 42 G 7.93 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 0.00 0.00 0.00 43 Q 8.33 3.66 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.54 3.95 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 0.87 0.00 0.00 0.99 0.00 0.00 45 K 8.58 4.20 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.66 0.00 2.83 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 47 D 8.00 4.81 0.00 2.78 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 48 N 8.49 4.73 0.00 2.88 2.99 0.00 0.00 6.93 7.17 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 49 I 7.60 4.97 1.88 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 1.40 0.52 0.89 0.00 0.00 50 T 8.78 4.71 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 1.50 0.00 0.00 51 V 8.41 4.62 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 0.48 0.00 0.00 0.83 0.00 0.00 52 V 9.02 4.30 1.98 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.94 0.00 3.20 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 54 V 8.57 4.35 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 0.81 0.00 0.00 1.07 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.96 4.46 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 0.00 57 A 8.50 4.04 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 58 Y 8.18 4.21 0.00 2.93 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 59 E 8.23 4.16 0.00 2.00 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 2.61 2.57 0.00 60 L 7.59 3.85 0.00 1.79 1.69 0.86 0.74 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 61 P 0.00 4.17 0.00 2.02 1.86 0.00 3.66 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 2.09 2.16 0.00 62 L 7.70 3.90 0.00 1.63 1.67 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.85 3.98 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 64 T 8.22 3.81 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 1.19 0.00 0.00 65 E 9.03 3.85 0.00 1.99 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 0.00 2.31 2.34 0.00 66 A 8.02 4.01 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 67 L 7.62 4.10 0.00 1.79 1.69 0.64 0.69 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 68 A 8.46 4.23 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 69 K 8.27 3.94 0.00 1.85 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.11 4.19 0.00 3.92 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 0.00 71 G 8.42 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 72 K 7.68 3.51 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.98 5.12 0.00 2.78 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 74 D 9.35 4.71 0.00 2.56 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 75 A 7.37 4.54 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 0.00 0.00 76 V 8.22 4.73 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 0.97 0.00 0.00 0.85 0.00 0.00 77 V 8.77 4.39 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 0.80 0.00 0.00 0.88 0.00 0.00 78 A 8.60 4.99 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 79 L 7.92 5.32 0.00 1.38 1.40 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.75 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 0.00 0.00 0.00 0.00 81 T 8.54 5.09 4.30 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 1.19 0.00 0.00 82 V 9.15 4.23 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.77 1.85 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 1.24 0.70 0.84 0.00 0.00 84 R 8.42 3.64 0.00 0.67 1.39 0.00 3.04 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.15 0.00 85 G 8.36 4.41 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 0.00 86 G 8.79 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 87 T 7.60 4.52 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 1.24 0.00 0.00 88 A 8.36 4.50 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 89 H 8.37 4.33 0.00 3.31 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.06 0.00 3.10 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 91 E 7.90 3.59 0.00 1.92 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 2.00 2.17 0.00 92 Y 7.39 4.32 0.00 2.99 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 93 V 7.67 3.69 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 1.05 0.00 0.00 0.80 0.00 0.00 94 A 7.84 4.08 0.94 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 95 G 8.11 3.60 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 0.00 96 G 8.61 3.86 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 0.00 97 A 7.85 4.28 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 98 S 8.21 4.14 0.00 3.70 3.87 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 99 N 8.52 4.44 0.00 2.87 2.83 0.00 0.00 6.95 8.44 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 0.00 100 G 7.70 3.71 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 0.00 0.00 0.00 101 L 8.02 3.99 0.00 1.89 1.82 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.99 3.98 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 0.00 103 S 8.30 3.96 0.00 3.97 4.02 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 0.00 104 V 7.80 3.55 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 1.05 0.00 0.00 0.98 0.00 0.00 105 A 7.85 4.36 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 0.00 106 Q 7.67 3.89 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.10 4.53 0.00 2.69 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 0.00 108 S 8.31 4.37 0.00 4.03 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 0.00 109 G 8.11 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 0.00 110 V 7.61 3.99 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 1.01 0.00 0.00 1.03 0.00 0.00 111 P 0.00 4.55 0.00 2.12 1.97 0.00 3.78 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 2.12 2.09 0.00 112 V 8.41 4.90 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 0.81 0.00 0.00 0.93 0.00 0.00 113 A 8.89 4.50 1.26 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 0.00 0.00 114 F 9.01 4.77 0.00 3.00 3.01 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 0.00 115 G 8.10 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 0.00 116 V 6.12 4.61 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 0.69 0.00 0.00 -0.06 0.00 0.00 117 L 8.79 4.28 0.00 1.61 1.58 0.92 0.37 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 0.00 118 T 8.52 5.25 4.45 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 1.24 0.00 0.00 119 T 8.71 4.61 4.40 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 1.23 0.00 0.00 120 E 9.72 4.11 0.00 1.96 1.92 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 2.31 2.30 0.00 121 S 7.59 4.71 0.00 3.94 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 0.00 122 I 8.24 3.66 1.84 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 1.47 0.72 0.86 0.00 0.00 123 E 8.20 3.91 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.16 4.29 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.76 4.02 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 0.00 126 I 7.89 3.75 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.94 0.99 0.00 0.00 127 E 8.08 4.55 0.00 2.30 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 2.34 2.38 0.00 128 R 7.91 4.53 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 129 A 7.27 4.72 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 0.00 130 G 8.18 4.46 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 0.00 131 T 7.50 4.60 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 1.23 0.00 0.00 132 K 9.19 3.81 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.82 4.55 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 0.00 134 G 8.11 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 0.00 0.00 0.00 135 N 8.24 5.20 0.00 2.70 2.66 0.00 0.00 6.94 7.31 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 0.00 136 K 8.87 4.00 0.00 1.83 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.31 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.86 4.03 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 0.00 139 E 8.52 3.86 0.00 2.03 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 2.31 2.33 0.00 140 A 8.62 4.05 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 0.00 141 A 8.21 3.91 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 0.00 142 L 8.02 3.93 0.00 1.99 1.72 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.13 3.86 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 1.25 0.00 0.00 144 A 7.96 3.99 1.43 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 0.00 0.00 0.00 145 L 7.88 3.85 0.00 1.85 1.90 0.99 0.89 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 0.00 146 E 8.38 4.17 0.00 2.01 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 2.32 2.24 0.00 147 M 8.01 4.04 0.00 2.10 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.62 3.69 2.04 0.00 0.00 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 1.68 0.91 0.92 0.00 0.00 149 N 7.94 4.32 0.00 2.91 2.86 0.00 0.00 6.72 8.31 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 0.00 150 V 7.94 3.58 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.46 4.07 0.00 1.92 1.69 0.92 0.71 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 0.00 152 K 8.18 3.89 0.00 1.83 2.04 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.07 4.47 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 0.00 154 I 7.95 3.94 1.87 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 1.16 0.68 0.91 0.00 0.00