NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4591 8.1633 120.3509 55.6884 33.9700 176.7336 2 L 4.2209 8.1871 116.3301 53.8211 41.8345 175.6650 3 K 4.1591 9.5401 123.0499 56.0955 33.6348 176.2923 4 Q 4.2970 8.4138 125.0695 55.5005 29.6923 176.2385 5 V 3.8805 8.3486 122.8619 63.5055 32.9954 174.3887 6 E 4.8536 9.3602 126.5761 54.5163 32.3358 174.9878 7 I 5.5278 7.8126 123.9854 58.4735 41.0562 174.5425 8 F 5.4485 8.7962 123.7928 56.0465 42.8078 173.9016 9 T 5.3024 8.6420 111.9141 60.6306 72.3928 172.6097 10 D 4.8000 9.2587 120.6064 53.5178 45.1230 174.3099 11 G 4.8050 8.5952 111.1889 45.2225 0.0000 171.3336 12 S 4.7990 8.8145 115.9285 57.8288 66.8949 173.0101 13 C 5.1757 8.5881 116.2958 58.2582 32.0724 174.9895 14 L 4.3493 8.5388 122.4358 53.0684 40.2742 175.6911 15 G 3.8138 8.8181 109.7359 45.7023 0.0000 170.1425 16 N 4.7727 8.3528 121.2548 50.7714 40.3077 172.0146 17 P 4.5798 0.0000 0.0000 62.5171 32.9483 176.1550 18 G 4.1049 7.8345 104.6323 45.5531 0.0000 170.4446 19 P 5.1396 0.0000 0.0000 62.9867 32.4207 175.6869 20 G 4.5673 9.5363 108.9078 45.2179 0.0000 170.8809 21 G 4.7483 9.0905 106.2146 45.4195 0.0000 171.5560 22 Y 5.5817 8.4772 117.8019 55.3611 42.2698 174.6805 23 G 4.6478 9.2657 106.1198 45.2363 0.0000 171.9577 24 A 5.5136 9.3647 125.8455 50.4157 23.4797 174.7794 25 I 5.1215 9.0791 120.6779 59.5583 41.2164 174.4200 26 L 5.0826 9.0098 126.8219 52.9024 44.4953 175.5840 27 R 4.8016 9.3634 124.1248 53.8010 32.9725 173.7742 28 Y 4.9933 8.5687 126.1801 57.1016 38.0809 180.5532 29 R 4.2014 8.9277 113.3998 56.8286 27.1015 177.4084 30 G 4.0421 8.2389 107.2118 46.0580 0.0000 171.5557 31 R 4.6402 7.8479 118.8870 54.7036 31.8943 175.1028 32 E 5.5498 8.3533 117.5666 54.0755 32.3961 174.4553 33 K 4.5158 8.7435 124.3736 54.6873 34.2251 175.5893 34 T 5.0795 8.1817 114.9565 60.1484 71.5864 173.6891 35 F 5.1116 8.7842 120.2900 56.2698 43.7596 173.9364 36 S 4.9478 8.9671 112.0926 58.6650 65.1786 174.6191 37 A 4.3712 7.1367 122.3154 50.6517 22.7503 175.0550 38 G 4.3978 8.3007 106.8394 44.4967 0.0000 171.5819 39 Y 5.1672 8.8811 120.4721 56.0524 40.9181 176.7302 40 T 3.9844 8.7623 121.3584 66.7660 69.8470 174.5745 41 R 4.6246 7.6812 119.8496 55.8688 33.1232 174.1043 42 T 3.5853 8.1127 121.8926 61.8960 72.3659 171.6273 43 T 4.9267 7.9921 108.5284 58.9536 72.6416 174.3024 44 N 4.2185 9.1703 119.7326 56.8615 38.8318 176.3378 45 N 4.0536 7.9695 117.2432 56.4865 38.4823 177.1289 46 R 3.8476 7.5598 118.6147 59.8257 30.3278 179.1379 47 M 4.0703 7.8971 117.9756 58.2803 30.3292 178.7036 48 E 4.0574 8.5690 119.2797 59.3066 29.6434 179.4521 49 L 3.8262 7.9757 118.8988 58.0721 41.7663 179.0173 50 M 3.7780 8.1880 118.2054 58.7065 31.8720 178.0668 51 A 3.4138 7.7996 120.0374 54.7846 18.5344 179.5399 52 A 3.8735 7.4061 118.4695 55.3444 18.5063 179.6606 53 I 3.5145 7.4892 118.2790 64.6448 36.9918 178.5703 54 V 3.3648 7.2813 117.5400 66.0153 31.6219 177.6216 55 A 3.5190 7.2917 120.0580 55.1527 18.3164 179.6085 56 L 3.7970 7.7465 116.9221 57.8391 41.5614 179.4092 57 E 4.1429 8.3467 116.5437 58.0496 29.4460 178.2853 58 A 4.3356 7.3891 119.8795 52.5249 19.0884 177.5739 59 L 4.2629 7.2736 118.3211 54.9436 42.0093 177.1301 60 K 4.5200 8.7588 121.9954 56.0168 32.6968 175.9127 61 E 4.5850 7.6465 115.9258 54.1748 32.5066 174.4633 62 H 4.0939 8.6815 117.7278 57.1873 29.3680 174.2973 63 C 4.9293 8.8276 120.1313 57.9328 32.7341 172.5945 64 E 4.8073 8.5980 118.8241 54.9790 31.1611 175.4943 65 V 4.6502 9.2558 126.1611 60.8099 35.0139 174.0703 66 I 4.4457 7.9739 126.9175 59.1570 40.1413 173.7820 67 L 4.7247 8.6810 133.3718 53.4104 44.1239 175.0123 68 S 5.2153 8.4263 123.6458 57.3466 64.7518 173.4224 69 T 5.0231 8.9960 118.7876 60.8196 71.0621 173.4173 70 D 5.6397 8.7556 124.9623 52.6957 40.1111 176.6157 71 S 4.3477 7.9539 116.2374 58.3501 63.0927 174.4456 72 Q 3.8580 8.7355 130.4878 59.2132 28.7775 177.2423 73 Y 4.3111 7.8127 120.1474 60.9431 38.8372 178.3612 74 V 3.6374 7.9253 119.1676 65.6169 31.6137 177.9117 75 R 2.0000 7.4526 118.4882 58.9761 29.8012 177.9397 76 Q 3.3495 7.5737 117.3429 59.0816 28.5900 179.2694 77 A 2.5800 6.6350 120.5238 55.1925 18.3596 179.3363 78 I 3.3796 7.3661 118.9284 64.1713 36.8540 178.4351 79 T 3.6479 7.3826 110.9078 64.7043 68.4824 174.8873 80 Q 4.0165 7.1907 117.8437 54.7425 29.0911 175.5681 80B G 3.7874 7.7620 106.8570 46.5458 0.0000 176.6390 81 W 3.6203 7.4796 122.3286 59.0474 28.8217 178.0546 82 I 3.5309 6.9640 119.3083 64.6266 36.3307 178.0200 83 H 4.1636 7.5967 115.5814 58.8073 28.6838 177.0579 84 N 4.2759 7.5417 118.1311 55.9051 38.0206 177.0490 85 W 4.3427 7.6646 119.9632 59.9856 29.3125 178.5585 86 K 2.9691 7.4179 118.9925 59.2086 31.3403 179.0111 87 K 4.0738 7.5349 117.5486 58.3490 31.7129 178.4924 88 R 4.6244 7.5548 117.2239 55.2723 30.8915 176.3728 89 G 4.0550 8.0614 104.8498 46.6151 0.0000 174.2562 90 W 3.6150 8.9046 116.4809 57.4542 26.9568 174.4101 91 K 4.9598 7.5233 115.6464 54.8919 35.8464 176.9565 92 T 4.3850 8.6080 111.9022 60.0388 71.1124 174.8867 93 A 3.9165 8.7304 123.5844 55.8982 18.0340 178.7795 94 D 4.3028 8.0017 112.8335 55.7444 41.2399 177.3498 95 K 4.0333 8.2456 116.5962 56.7563 30.1931 175.7209 96 K 4.3687 7.4126 120.0586 54.6199 33.1787 174.2889 97 P 4.8106 0.0000 0.0000 62.2936 32.2547 176.5806 98 V 3.5314 8.2468 123.4669 62.4261 32.6770 175.2375 99 K 4.0674 8.4536 127.7542 57.4753 32.9179 175.8337 100 N 4.4658 9.3008 121.8786 53.1228 36.5692 176.4353 101 V 3.6430 7.6557 121.4911 65.2088 31.0593 177.3118 102 D 4.2319 8.0175 118.9582 56.5375 39.0617 178.6209 103 L 4.0286 7.9812 120.4279 56.8720 41.6499 179.4415 104 W 4.5833 7.9448 118.5571 59.7383 29.0485 178.2954 105 Q 3.5593 7.8246 118.0466 58.9069 28.2557 179.0638 106 R 3.8898 7.4303 117.4065 59.2359 30.0888 178.8252 107 L 3.9971 8.0620 119.7656 58.3139 42.2660 178.2092 108 D 4.5492 8.8853 118.1764 57.6760 40.9321 178.0798 109 A 4.0806 8.3390 119.9977 55.3966 18.5074 179.1855 110 A 4.1938 8.0138 118.5993 54.9582 18.4788 179.8452 111 L 4.1499 8.3361 118.1769 57.9309 41.5657 179.5875 112 G 3.7739 8.0847 103.4336 46.7063 0.0000 173.7876 113 Q 4.5762 7.8295 118.5841 56.2393 30.6888 175.2332 114 H 5.0660 7.8354 113.8409 53.8142 32.6183 173.3529 115 Q 4.4936 8.6407 121.1462 54.7437 30.2772 174.0720 116 I 4.7176 8.2462 126.2924 58.8971 41.3815 174.4304 117 K 4.3910 8.4071 127.6466 54.3678 34.9474 175.1130 118 W 4.4543 8.5781 127.5463 55.8655 30.4999 175.7406 119 E 4.2019 8.5686 124.3875 54.0842 31.9268 174.4520 120 W 5.4911 8.5046 127.9447 56.3174 30.0578 176.5086 121 V 4.4710 8.8041 118.7753 59.4846 33.9849 175.1911 122 K 4.6168 8.3080 123.8076 55.1818 34.3561 172.9386 123 G 3.9387 8.7819 120.9405 45.0490 0.0000 173.8536 124 H 4.2638 8.5065 117.4092 57.0987 29.0898 175.2605 125 A 4.2258 7.4174 123.6626 53.4795 18.1312 177.7455 126 G 3.9122 9.2621 111.0494 46.2466 0.0000 173.4493 127 H 4.9391 8.1481 115.7099 52.2342 29.5252 171.8875 128 P 4.1757 0.0000 0.0000 65.9565 31.7409 178.1413 129 E 3.7584 7.8632 116.3421 59.2722 29.1001 179.1799 130 N 4.3882 7.9558 116.1852 55.9904 38.6241 176.6459 131 E 3.4011 7.8384 120.6412 59.2725 29.6655 178.8476 132 R 3.8743 7.8544 118.3685 59.7845 30.1467 178.0202 133 C 4.1126 8.0455 116.4031 62.8981 28.1015 175.6182 134 D 4.4793 8.2063 119.5116 57.5687 40.8471 178.1844 135 E 3.9861 7.8804 118.9003 59.4399 29.3814 179.4374 136 L 3.9577 8.1056 118.6713 57.6511 41.7230 179.4146 137 A 4.1230 8.0988 120.5745 55.5058 18.1970 180.0487 138 R 3.9337 7.9806 114.8136 58.9690 30.1540 179.0698 139 A 4.0904 8.0588 120.6735 55.2168 18.6270 179.6409 140 A 3.8689 8.2643 119.2836 55.0170 18.1746 179.5958 141 A 4.1726 7.7724 118.5217 55.3490 18.4028 179.2120 142 M 4.2633 7.6060 116.4424 56.5591 33.5994 176.4859 143 N 5.0120 7.5240 114.8276 50.6768 38.9061 172.2763 144 P 4.3429 0.0000 0.0000 63.0039 32.6503 177.5705 145 T 4.6066 8.1508 107.4054 61.4148 70.6895 173.4056 146 L 4.7559 7.3510 120.9956 53.2252 45.5343 174.8812 147 E 4.9798 8.6106 120.0965 55.0709 31.3394 176.5198 148 D 4.8453 8.4713 123.5231 52.4980 39.9151 176.4787 149 T 3.8998 8.3308 114.5451 63.8719 69.0407 176.5050 150 G 3.7467 8.0383 108.7076 46.3839 0.0000 172.9218 151 Y 4.2287 7.9917 122.4491 57.4039 38.9072 174.6642 152 Q 4.1774 7.9097 126.2282 53.4871 30.6099 174.8452 153 V 2.7560 8.1521 122.7963 64.0862 30.8064 181.4366 154 E 3.0696 6.5578 117.9739 55.6469 33.8190 176.0562 155 V 3.9573 7.5659 126.4204 62.9091 31.6001 175.7619 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 8.16 4.46 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 L 8.19 4.22 0.00 1.76 1.67 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.54 4.16 0.00 1.67 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.46 7.81 4 Q 8.41 4.30 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 5 V 8.35 3.88 2.20 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 0.78 0.00 0.00 1.18 0.00 0.00 6 E 9.36 4.85 0.00 1.91 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 2.07 2.39 0.00 7 I 7.81 5.53 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 0.80 0.00 0.00 8 F 8.80 5.45 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.64 5.30 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 1.28 0.00 0.00 10 D 9.26 4.80 0.00 2.83 2.58 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 11 G 8.60 4.80 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 12 S 8.81 4.80 0.00 3.89 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 13 C 8.59 5.18 0.00 2.78 3.03 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 0.00 14 L 8.54 4.35 0.00 1.52 1.62 1.02 0.97 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 15 G 8.82 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 16 N 8.35 4.77 0.00 2.61 2.69 0.00 0.00 7.12 7.69 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 17 P 0.00 4.58 0.00 2.08 2.02 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 18 G 7.83 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 19 P 0.00 5.14 0.00 2.34 2.19 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.82 0.00 20 G 9.54 4.57 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 0.00 21 G 9.09 4.75 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 22 Y 8.48 5.58 0.00 3.20 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 23 G 9.27 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.36 5.51 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 25 I 9.08 5.12 2.08 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 1.00 0.00 0.00 26 L 9.01 5.08 0.00 1.79 1.13 1.02 0.60 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 27 R 9.36 4.80 0.00 1.87 2.03 0.00 3.08 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 28 Y 8.57 4.99 0.00 2.97 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 0.00 0.00 0.00 0.00 29 R 8.93 4.20 0.00 1.84 1.92 0.00 3.24 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 30 G 8.24 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 0.00 0.00 0.00 31 R 7.85 4.64 0.00 2.06 1.98 0.00 3.15 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 32 E 8.35 5.55 0.00 2.03 1.90 0.00 0.00 0.00 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 2.15 0.00 33 K 8.74 4.52 0.00 1.67 1.47 0.00 1.84 0.00 0.00 2.01 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.26 1.42 7.81 34 T 8.18 5.08 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 1.18 0.00 0.00 35 F 8.78 5.11 0.00 3.19 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 36 S 8.97 4.95 0.00 3.97 3.79 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 37 A 7.14 4.37 0.89 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 38 G 8.30 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 0.00 0.00 0.00 0.00 39 Y 8.88 5.17 0.00 2.89 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 40 T 8.76 3.98 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 R 7.68 4.62 0.00 1.78 1.78 0.00 3.32 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.53 0.00 42 T 8.11 3.59 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 1.14 0.00 0.00 43 T 7.99 4.93 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 44 N 9.17 4.22 0.00 3.01 2.80 0.00 0.00 7.62 6.23 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 45 N 7.97 4.05 0.00 2.38 1.65 0.00 0.00 7.07 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 46 R 7.56 3.85 0.00 1.86 1.85 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 47 M 7.90 4.07 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.81 0.00 48 E 8.57 4.06 0.00 2.33 2.12 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 2.41 2.59 0.00 49 L 7.98 3.83 0.00 1.85 1.46 -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.19 3.78 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.69 0.00 51 A 7.80 3.41 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 52 A 7.41 3.87 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.49 3.51 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.84 0.00 0.00 54 V 7.28 3.36 1.59 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 0.44 0.00 0.00 0.71 0.00 0.00 55 A 7.29 3.52 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 56 L 7.75 3.80 0.00 1.62 1.57 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.35 4.14 0.00 1.81 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 2.44 0.00 58 A 7.39 4.34 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 59 L 7.27 4.26 0.00 1.86 1.77 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.76 4.52 0.00 1.75 1.83 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 61 E 7.65 4.59 0.00 1.98 1.81 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 2.17 2.21 0.00 62 H 8.68 4.09 0.00 3.06 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.83 4.93 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 64 E 8.60 4.81 0.00 1.92 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 2.28 2.31 0.00 65 V 9.26 4.65 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 0.74 0.00 0.00 0.82 0.00 0.00 66 I 7.97 4.45 1.69 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.90 0.78 0.00 0.00 67 L 8.68 4.72 0.00 1.06 0.70 0.59 0.46 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 68 S 8.43 5.22 0.00 3.89 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 69 T 9.00 5.02 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 1.66 0.00 0.00 70 D 8.76 5.64 0.00 2.99 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 71 S 7.95 4.35 0.00 4.01 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 72 Q 8.74 3.86 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 73 Y 7.81 4.31 0.00 3.27 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 V 7.93 3.64 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 0.94 0.00 0.00 1.01 0.00 0.00 75 R 7.45 2.00 0.00 1.05 1.40 0.00 2.43 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 76 Q 7.57 3.35 0.00 2.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 77 A 6.63 2.58 0.81 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 78 I 7.37 3.38 1.40 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 1.34 -0.35 0.72 0.00 0.00 79 T 7.38 3.65 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 0.85 0.00 0.00 80 Q 7.19 4.02 0.00 1.23 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 80B G 7.76 3.79 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 0.00 0.00 0.00 81 W 7.48 3.62 0.00 1.92 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 6.96 3.53 1.70 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 1.66 0.46 1.16 0.00 0.00 83 H 7.60 4.16 0.00 3.14 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.54 4.28 0.00 2.54 2.60 0.00 0.00 6.94 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.66 4.34 0.00 2.95 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 86 K 7.42 2.97 0.00 1.72 1.60 0.00 2.07 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 87 K 7.53 4.07 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 88 R 7.55 4.62 0.00 1.82 1.89 0.00 3.23 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 89 G 8.06 4.06 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 0.00 0.00 0.00 90 W 8.90 3.62 0.00 3.43 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 91 K 7.52 4.96 0.00 1.84 1.66 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.60 7.81 92 T 8.61 4.39 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 1.20 0.00 0.00 93 A 8.73 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.00 4.30 0.00 2.61 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.25 4.03 0.00 1.93 1.96 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.50 7.81 96 K 7.41 4.37 0.00 1.76 1.62 0.00 1.61 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 97 P 0.00 4.81 0.00 1.94 1.95 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 98 V 8.25 3.53 1.72 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 -0.13 0.00 0.00 -0.09 0.00 0.00 99 K 8.45 4.07 0.00 1.82 1.83 0.00 2.02 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 100 N 9.30 4.47 0.00 3.14 2.80 0.00 0.00 7.33 7.68 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 0.00 101 V 7.66 3.64 2.20 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 0.77 0.00 0.00 0.72 0.00 0.00 102 D 8.02 4.23 0.00 2.82 2.91 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 0.00 103 L 7.98 4.03 0.00 1.53 1.44 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.94 4.58 0.00 3.40 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 0.00 105 Q 7.82 3.56 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 106 R 7.43 3.89 0.00 2.04 2.09 0.00 3.08 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 107 L 8.06 4.00 0.00 1.83 2.13 1.12 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.89 4.55 0.00 3.17 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 0.00 109 A 8.34 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.01 4.19 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 0.00 111 L 8.34 4.15 0.00 2.13 1.87 1.21 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.83 4.58 0.00 1.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 114 H 7.84 5.07 0.00 3.09 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.64 4.49 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 116 I 8.25 4.72 1.49 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.15 0.76 0.00 0.00 117 K 8.41 4.39 0.00 1.68 1.42 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.30 7.81 118 W 8.58 4.45 0.00 2.61 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.57 4.20 0.00 1.81 1.67 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 2.19 2.21 0.00 120 W 8.50 5.49 0.00 3.22 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 0.00 121 V 8.80 4.47 1.84 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 0.90 0.00 0.00 0.94 0.00 0.00 122 K 8.31 4.62 0.00 1.71 1.69 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.41 7.81 123 G 8.78 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 0.00 0.00 0.00 124 H 8.51 4.26 0.00 3.22 3.57 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.42 4.23 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 0.00 126 G 9.26 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.15 4.94 0.00 3.42 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.18 0.00 2.04 2.06 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 129 E 7.86 3.76 0.00 1.16 1.13 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 1.47 1.95 0.00 130 N 7.96 4.39 0.00 2.96 2.92 0.00 0.00 6.77 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 0.00 131 E 7.84 3.40 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 132 R 7.85 3.87 0.00 2.02 2.06 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 133 C 8.05 4.11 0.00 3.24 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 0.00 134 D 8.21 4.48 0.00 3.06 2.99 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 0.00 135 E 7.88 3.99 0.00 2.21 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 2.34 2.50 0.00 136 L 8.11 3.96 0.00 1.94 1.74 0.95 0.65 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 0.00 137 A 8.10 4.12 1.54 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 0.00 0.00 138 R 7.98 3.93 0.00 1.82 2.02 0.00 3.18 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 139 A 8.06 4.09 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 0.00 140 A 8.26 3.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.77 4.17 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 0.00 142 M 7.61 4.26 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.91 0.00 143 N 7.52 5.01 0.00 2.63 2.68 0.00 0.00 7.04 7.29 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 0.00 144 P 0.00 4.34 0.00 2.18 1.96 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 145 T 8.15 4.61 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 146 L 7.35 4.76 0.00 1.35 0.85 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.61 4.98 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 148 D 8.47 4.85 0.00 2.61 2.77 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 0.00 149 T 8.33 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 150 G 8.04 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 0.00 151 Y 7.99 4.23 0.00 3.04 3.13 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 0.00 152 Q 7.91 4.18 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 153 V 8.15 2.76 1.96 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 0.92 0.00 0.00 0.80 0.00 0.00 154 E 6.56 3.07 0.00 1.94 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 0.00 2.21 2.34 0.00 155 V 7.57 3.96 2.06 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 0.81 0.00 0.00 0.91 0.00 0.00