NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9741 8.3549 109.7363 45.4819 0.0000 175.7353 2 S 4.6025 8.1952 119.6939 56.0116 65.9051 171.6903 3 S 4.5219 8.3977 115.1044 58.4194 67.1693 176.1673 4 G 4.0527 8.1632 112.5743 46.6166 0.0000 171.9926 5 S 4.5143 8.0493 110.9018 57.8054 64.7389 174.9018 6 S 4.7572 8.5957 116.1499 56.6290 65.3793 172.4907 7 G 4.1602 8.0037 108.0441 44.4471 0.0000 171.5522 8 S 4.6866 8.3812 114.5526 57.2670 64.1204 173.5495 9 E 4.8295 8.3082 122.3092 55.1766 33.6343 176.1772 10 S 4.5465 8.0953 113.2440 56.8362 62.7840 173.4774 11 I 4.2840 7.6952 128.8794 60.8644 38.9336 174.7753 12 C 4.6399 8.1798 116.8820 56.8212 31.0604 172.8118 13 N 4.7976 8.3901 120.1485 51.9217 41.5031 173.9547 14 S 4.1736 8.5273 119.5116 59.4283 62.8639 172.2614 15 L 4.3601 7.5848 126.3292 54.9594 49.4595 174.1002 16 N 4.7837 7.7502 114.9547 53.1362 42.4464 174.8432 17 S 3.5539 8.3023 113.5171 59.1123 60.2273 170.0863 18 K 4.3932 7.7323 122.6204 54.8625 34.5590 173.3222 19 L 3.5962 8.5590 131.1269 53.5648 41.4543 174.0445 20 E 4.0548 8.4119 121.3630 55.5160 30.7337 175.5927 21 P 4.5627 0.0000 0.0000 62.7874 30.3767 175.6408 22 T 4.7120 7.2177 108.7458 60.0148 72.2178 175.0606 23 L 3.9781 8.7837 124.6100 58.7560 42.1182 179.2733 24 E 4.1229 8.0927 116.2237 59.0654 29.9578 177.4429 25 N 5.1193 8.3231 115.4266 52.3167 39.4925 175.6617 26 L 4.0961 8.8720 123.8290 58.0391 42.9296 178.5571 27 E 4.0711 8.2606 116.3443 58.6703 29.4925 176.9713 28 N 4.9663 7.4316 116.2365 52.5622 39.4684 173.8547 29 L 4.3252 7.7346 120.7396 53.7344 43.0177 176.4284 30 D 4.5509 8.2211 126.6760 52.6342 39.6577 176.2384 31 V 3.4618 8.0518 124.8112 64.3713 31.5297 178.8393 32 S 4.2381 7.7449 113.0188 59.6742 62.5022 174.8872 33 A 3.9463 8.5940 123.9080 55.5389 18.2120 177.9567 34 F 4.1525 7.2060 115.7743 58.5950 39.0336 176.2435 35 Q 4.0994 8.8570 123.5310 56.0685 28.9489 175.9407 36 A 3.9656 7.2467 121.7840 51.1249 19.2736 175.6509 37 P 4.5003 0.0000 0.0000 62.4851 32.0960 177.2489 38 E 5.0676 8.4924 117.2252 57.5847 29.5352 177.1849 39 D 4.9462 7.5692 117.4844 53.7918 42.2260 176.4680 40 L 3.7454 7.2899 122.2769 58.0327 42.5687 178.2819 41 L 4.5449 8.0786 118.8173 53.2180 40.7124 176.0362 42 D 4.5458 7.8231 118.2656 55.2550 42.1024 175.7604 43 G 3.9472 8.6762 115.7424 47.0463 0.0000 172.9768 44 C 4.6569 7.9247 117.3157 57.7353 30.0962 174.0174 45 R 4.6403 8.0901 125.3445 55.3330 30.6525 176.0204 46 I 4.4882 8.3628 125.0602 59.5730 40.9791 174.2723 47 Y 4.7609 9.1515 126.8517 55.9334 40.5611 174.4291 48 L 4.9378 8.0931 127.2173 54.2107 42.8022 175.9778 49 C 4.1047 9.0186 122.9099 59.3872 34.8683 173.3443 50 G 4.1942 9.5929 122.2734 44.8413 0.0000 173.7289 51 F 4.2501 6.3838 119.3224 57.4659 40.0819 174.4357 52 S 4.8867 8.5204 116.2462 58.6139 70.0800 177.6915 53 G 4.2424 7.6215 108.8283 44.1578 0.0000 176.0911 54 R 3.9533 10.0516 123.4298 58.6836 30.0163 178.3139 55 K 3.8391 8.1630 118.1612 59.6470 32.0083 178.4332 56 L 3.6885 7.9666 119.5332 58.2348 42.3637 178.0587 57 D 4.3221 7.7738 117.9130 58.1218 40.9441 178.4005 58 K 3.9480 8.6567 119.4364 58.4296 31.9194 178.9797 59 L 3.5363 7.7389 118.3864 58.1288 41.8419 180.0907 60 R 3.8702 8.1451 117.9802 59.5956 30.1008 179.4688 61 R 3.9611 7.6853 117.1738 59.5410 29.8951 178.2697 62 L 3.4056 8.4329 120.1959 56.0017 41.3213 179.1371 63 I 3.8237 8.4068 119.9628 64.9188 37.4187 177.8413 64 N 4.4380 8.0539 117.1671 56.8895 38.8232 176.6183 65 S 4.2872 8.4656 115.0650 61.1037 62.3263 175.4402 66 G 3.8718 9.3246 106.8219 44.4682 0.0000 174.9754 67 G 3.7940 8.9213 110.8477 44.9536 0.0000 174.3896 68 G 4.5614 7.5650 106.3396 45.8121 0.0000 172.9765 69 V 4.5033 8.6463 119.5946 60.8545 34.1875 174.4662 70 R 4.3784 8.7367 129.0256 55.2944 30.1876 175.5467 71 F 4.5607 8.6313 125.9698 57.3165 39.2106 176.3788 72 N 4.4240 8.7284 119.6664 55.1521 38.8377 174.5669 73 Q 4.8442 7.7205 114.8011 54.0036 32.8071 173.6852 74 L 4.4086 7.9978 120.0406 54.0542 43.3146 174.6622 75 N 4.5247 6.7769 117.5705 53.2656 42.3102 175.0679 76 E 4.4465 9.0777 117.4954 59.1150 29.8465 178.3390 77 D 4.3230 8.0600 118.3824 56.6251 41.1803 177.0737 78 V 3.3347 6.7969 117.4155 63.9601 31.4329 175.4931 79 T 4.3560 9.3625 117.2414 62.7162 69.8633 174.1288 80 H 4.7799 7.6082 117.7550 55.1166 33.8421 173.0791 81 V 5.0932 9.0098 120.1540 60.2761 33.9952 174.0535 82 I 4.6537 8.4172 128.7658 60.9912 37.8184 175.2482 83 V 4.4109 9.2139 128.8321 61.0091 32.8898 176.4161 84 G 3.2421 8.0510 111.4708 47.0485 0.0000 173.1283 85 D 4.8219 7.7600 116.0378 54.9730 44.7130 174.6007 86 Y 4.6020 7.5501 111.8302 56.1850 39.9005 172.9887 87 D 4.4428 8.5295 121.8896 52.6482 42.3472 175.6397 88 D 4.3918 8.0950 126.8789 57.3116 41.6310 178.5655 89 E 3.7981 8.2509 118.9974 59.4234 29.3356 178.4066 90 L 3.3315 8.0180 120.2858 58.0995 41.6812 179.0672 91 K 4.2008 8.0175 116.7688 59.7718 32.2881 178.8032 92 Q 4.1752 8.0027 117.4503 59.2700 28.6801 178.6640 93 F 4.1356 8.8387 121.8417 61.4181 38.9942 177.2606 94 W 4.2442 8.1326 118.0189 59.4063 28.9157 177.3739 95 N 4.5690 8.3077 115.2485 55.5296 38.5984 175.5399 96 K 4.1373 7.8942 118.5329 55.8998 32.7670 176.2677 97 S 4.4497 7.1530 118.4716 57.2196 65.1745 174.7061 98 A 4.3816 8.0095 125.8092 51.5029 18.1260 175.9502 99 H 4.8141 8.0130 118.6740 56.2956 32.6619 173.9515 100 R 4.7195 7.9961 122.9455 53.4693 30.6989 173.6712 101 P 4.3956 0.0000 0.0000 62.4235 33.1276 176.1580 102 H 4.5503 8.3638 117.7820 55.1914 29.6323 174.9646 103 V 4.5123 8.3376 125.2685 61.9814 32.2884 175.0105 104 V 5.5304 8.1569 120.8135 58.9271 36.7421 174.5543 105 G 4.7324 8.7391 107.3898 44.2996 0.0000 174.8371 106 A 4.2488 9.3875 124.1422 55.0922 18.1016 179.9922 107 K 3.8783 8.4168 117.6167 59.8639 32.1843 177.8853 108 W 3.0554 8.8515 128.4342 59.9805 30.4391 177.2966 109 L 3.0864 8.2961 119.5548 58.4524 41.4623 178.5749 110 L 3.4019 8.2207 118.7373 57.6455 41.3407 179.0760 111 E 3.8295 8.3833 118.2235 59.9998 29.4557 179.5249 112 C 4.4441 7.5477 117.7613 62.2404 27.9716 176.0652 113 F 3.7434 7.7472 117.0035 58.9003 38.3376 176.9563 114 S 4.6615 7.7407 113.2237 60.7248 62.7680 175.6924 115 K 3.8536 8.4897 120.5978 57.2148 31.8512 178.2878 116 G 3.8767 8.8474 107.7418 44.9202 0.0000 172.6791 117 Y 4.7718 6.1368 116.0944 54.8376 41.2033 174.4599 118 M 4.0727 8.5806 120.6440 55.5811 32.5781 175.7890 119 L 5.0223 7.9796 121.3642 52.4769 45.1219 176.2781 120 S 4.4758 8.7235 115.4013 59.2792 63.3843 174.5996 121 E 4.2467 8.6193 121.9501 57.7253 30.4258 178.4045 122 E 3.9782 8.4708 118.0421 58.9943 29.4639 176.2377 123 P 4.5465 0.0000 0.0000 63.8230 31.8160 175.5678 124 Y 4.8767 8.3558 118.2049 57.7424 39.1109 174.7192 125 I 4.6586 7.9131 119.7178 61.1554 38.7323 175.8098 126 H 4.7228 8.7621 126.7625 55.0736 30.4081 173.7887 127 S 4.7927 8.4946 120.0930 56.1696 65.5312 173.1485 128 G 3.9316 8.4244 111.8566 43.5810 0.0000 171.0530 129 P 4.3960 0.0000 0.0000 62.5506 32.3449 175.0814 130 S 4.0501 8.5884 114.3954 57.9619 62.5816 169.6095 131 S 4.4092 9.0638 115.4829 61.0097 65.0075 174.2577 132 G 3.5877 8.4098 113.6042 44.4367 0.0000 173.2518 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 G 8.35 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 0.00 0.00 0.00 2 S 8.20 4.60 0.00 3.90 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 3 S 8.40 4.52 0.00 3.79 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 4 G 8.16 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.05 4.51 0.00 3.92 3.78 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 6 S 8.60 4.76 0.00 3.96 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 7 G 8.00 4.16 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 0.00 0.00 0.00 8 S 8.38 4.69 0.00 3.86 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 9 E 8.31 4.83 0.00 1.88 1.80 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 2.20 2.22 0.00 10 S 8.10 4.55 0.00 3.90 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 11 I 7.70 4.28 1.86 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 1.47 0.58 0.90 0.00 0.00 12 C 8.18 4.64 0.00 3.06 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 13 N 8.39 4.80 0.00 2.63 2.66 0.00 0.00 7.11 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 14 S 8.53 4.17 0.00 3.99 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 15 L 7.58 4.36 0.00 1.73 1.58 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.75 4.78 0.00 2.62 2.63 0.00 0.00 7.10 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 17 S 8.30 3.55 0.00 3.93 3.78 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 18 K 7.73 4.39 0.00 1.60 1.60 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.44 7.81 19 L 8.56 3.60 0.00 1.90 1.62 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.41 4.05 0.00 1.91 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 0.00 2.26 2.28 0.00 21 P 0.00 4.56 0.00 2.33 1.35 0.00 3.72 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 1.96 1.63 0.00 22 T 7.22 4.71 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 1.30 0.00 0.00 23 L 8.78 3.98 0.00 1.77 1.82 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.09 4.12 0.00 2.03 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 2.37 2.43 0.00 25 N 8.32 5.12 0.00 2.86 2.72 0.00 0.00 6.76 6.94 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 26 L 8.87 4.10 0.00 1.93 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.26 4.07 0.00 2.01 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 2.37 0.00 28 N 7.43 4.97 0.00 2.69 2.75 0.00 0.00 6.87 7.73 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 29 L 7.73 4.33 0.00 1.74 1.71 0.99 0.87 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 30 D 8.22 4.55 0.00 2.69 2.37 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 31 V 8.05 3.46 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 0.69 0.00 0.00 0.89 0.00 0.00 32 S 7.74 4.24 0.00 3.81 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 33 A 8.59 3.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.21 4.15 0.00 3.29 3.27 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 0.00 35 Q 8.86 4.10 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 36 A 7.25 3.97 1.10 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 37 P 0.00 4.50 0.00 2.16 2.14 0.00 3.40 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 1.93 1.91 0.00 38 E 8.49 5.07 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 39 D 7.57 4.95 0.00 2.58 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 40 L 7.29 3.75 0.00 1.26 1.07 0.63 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.08 4.54 0.00 1.72 1.60 1.17 0.87 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 42 D 7.82 4.55 0.00 2.70 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 43 G 8.68 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 44 C 7.92 4.66 0.00 2.98 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 45 R 8.09 4.64 0.00 1.53 1.07 0.00 2.21 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 46 I 8.36 4.49 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.42 1.07 0.00 0.00 47 Y 9.15 4.76 0.00 2.90 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 L 8.09 4.94 0.00 1.46 1.64 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 C 9.02 4.10 0.00 3.13 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 G 9.59 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 6.38 4.25 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.52 4.89 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.62 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 0.00 0.00 0.00 0.00 54 R 10.05 3.95 0.00 2.00 1.97 0.00 3.35 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 55 K 8.16 3.84 0.00 2.03 2.09 0.00 1.80 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.63 7.81 56 L 7.97 3.69 0.00 1.83 1.98 0.89 1.11 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 57 D 7.77 4.32 0.00 2.84 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 58 K 8.66 3.95 0.00 1.84 1.65 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.64 1.80 7.81 59 L 7.74 3.54 0.00 1.58 1.54 0.59 -0.61 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 60 R 8.15 3.87 0.00 1.89 1.93 0.00 3.09 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 1.61 1.61 0.00 61 R 7.69 3.96 0.00 1.91 1.92 0.00 3.08 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 62 L 8.43 3.41 0.00 1.34 0.50 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.41 3.82 1.93 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 1.46 0.53 1.01 0.00 0.00 64 N 8.05 4.44 0.00 3.08 2.81 0.00 0.00 6.94 7.34 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 65 S 8.47 4.29 0.00 3.94 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 66 G 9.32 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 0.00 0.00 0.00 67 G 8.92 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 68 G 7.57 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.50 2.15 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 1.18 0.00 0.00 1.00 0.00 0.00 70 R 8.74 4.38 0.00 1.87 1.87 0.00 3.24 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 1.56 1.63 0.00 71 F 8.63 4.56 0.00 2.97 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 72 N 8.73 4.42 0.00 2.63 2.82 0.00 0.00 6.64 7.61 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 73 Q 7.72 4.84 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 74 L 8.00 4.41 0.00 0.74 0.84 -0.74 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 N 6.78 4.52 0.00 2.85 2.78 0.00 0.00 7.10 7.74 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 76 E 9.08 4.45 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 77 D 8.06 4.32 0.00 2.55 2.50 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 78 V 6.80 3.33 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 0.79 0.00 0.00 0.73 0.00 0.00 79 T 9.36 4.36 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 80 H 7.61 4.78 0.00 3.11 3.03 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.01 5.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.75 0.00 0.00 82 I 8.42 4.65 2.08 0.00 0.00 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 1.36 1.33 1.18 0.00 0.00 83 V 9.21 4.41 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.02 0.00 0.00 84 G 8.05 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 0.00 0.00 0.00 85 D 7.76 4.82 0.00 2.56 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 86 Y 7.55 4.60 0.00 3.10 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.53 4.44 0.00 2.52 2.46 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 88 D 8.10 4.39 0.00 2.63 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 89 E 8.25 3.80 0.00 2.07 1.89 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 2.39 2.43 0.00 90 L 8.02 3.33 0.00 1.61 1.30 -0.09 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.02 4.20 0.00 1.97 1.97 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.75 1.67 7.81 92 Q 8.00 4.18 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 93 F 8.84 4.14 0.00 2.78 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 94 W 8.13 4.24 0.00 3.63 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 95 N 8.31 4.57 0.00 2.76 2.97 0.00 0.00 7.21 7.56 0.00 0.00 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 K 7.89 4.14 0.00 1.88 1.67 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.64 7.81 97 S 7.15 4.45 0.00 3.46 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 98 A 8.01 4.38 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 99 H 8.01 4.81 0.00 3.11 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.00 4.72 0.00 1.77 1.84 0.00 3.61 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 101 P 0.00 4.40 0.00 1.97 2.04 0.00 4.10 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 102 H 8.36 4.55 0.00 3.03 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.34 4.51 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 1.03 0.00 0.00 0.99 0.00 0.00 104 V 8.16 5.53 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.66 0.00 0.00 105 G 8.74 4.73 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 0.00 106 A 9.39 4.25 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 0.00 107 K 8.42 3.88 0.00 2.04 2.21 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.82 1.70 7.81 108 W 8.85 3.06 0.00 2.82 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 L 8.30 3.09 0.00 1.95 1.53 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.22 3.40 0.00 1.83 1.91 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.38 3.83 0.00 1.63 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 112 C 7.55 4.44 0.00 2.33 2.26 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 0.00 113 F 7.75 3.74 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.74 4.66 0.00 4.13 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 0.00 115 K 8.49 3.85 0.00 0.79 0.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.26 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.33 7.81 116 G 8.85 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 0.00 117 Y 6.14 4.77 0.00 3.04 2.95 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 0.00 118 M 8.58 4.07 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 119 L 7.98 5.02 0.00 1.76 1.78 0.77 1.01 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 0.00 120 S 8.72 4.48 0.00 4.06 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.62 4.25 0.00 1.79 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 0.00 1.67 1.87 0.00 122 E 8.47 3.98 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 123 P 0.00 4.55 0.00 1.98 2.13 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 124 Y 8.36 4.88 0.00 3.10 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 0.00 125 I 7.91 4.66 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 1.00 0.00 0.00 126 H 8.76 4.72 0.00 3.21 3.29 0.00 5.90 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.49 4.79 0.00 3.90 3.72 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 0.00 128 G 8.42 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.40 0.00 2.19 2.10 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 130 S 8.59 4.05 0.00 4.03 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 0.00 131 S 9.06 4.41 0.00 3.95 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 0.00 132 G 8.41 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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