NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4595 8.3044 118.1951 55.1936 32.5708 174.2482 1 V 4.2531 7.8744 118.1707 60.7972 34.3955 173.1578 2 L 4.3877 8.3222 127.3715 53.7826 43.7720 176.8024 3 S 4.5397 8.7034 117.5105 57.6769 65.3913 175.1583 4 E 4.2967 8.8045 122.4677 59.4606 29.2872 179.0215 5 G 3.6324 8.0951 105.4062 47.7735 0.0000 175.4322 6 E 3.9086 8.0336 120.4035 58.9857 29.3880 179.4007 7 W 4.3100 7.9827 119.0062 59.9418 29.1119 178.5787 8 Q 4.1442 8.5296 118.1406 58.9802 27.9927 178.8703 9 L 4.0910 7.8795 119.7963 57.6075 41.6355 179.7737 10 V 3.7335 7.9292 118.2066 66.2507 31.6250 178.2672 11 L 4.2775 8.5553 118.8515 57.6150 41.0040 179.1020 12 H 4.2455 8.5043 119.0472 59.2791 29.9009 177.7120 13 V 3.5321 7.8239 121.1188 64.3560 31.3179 178.1424 14 W 3.9116 8.5937 128.9525 60.1047 30.2776 177.7683 15 A 3.9826 7.9243 120.2430 54.9490 18.0401 179.4876 16 K 3.9556 7.3278 116.9094 59.3782 32.1562 179.6106 17 V 2.8665 7.1528 118.4579 65.8080 31.0554 177.6897 18 E 3.9026 7.5982 115.9576 58.1265 29.3003 178.4870 19 A 4.2116 7.4802 120.3902 53.5999 19.9386 177.5981 20 D 4.6658 7.8831 116.7280 52.0077 42.4999 175.5228 21 V 3.4559 7.8924 123.1239 65.5887 32.1132 176.7794 22 A 4.0492 7.9767 120.1527 55.0849 18.3402 179.6877 23 G 3.7383 8.1933 105.5548 47.8478 0.0000 175.7220 24 H 4.2084 8.2784 119.1121 58.2518 28.7083 178.1281 25 G 3.6017 8.3283 107.8486 47.8252 0.0000 175.7215 26 Q 3.8921 8.0424 120.5174 58.7762 28.8034 178.4484 27 D 4.3229 7.9816 119.7179 57.5723 40.8211 179.2076 28 I 3.6469 7.7985 119.9748 64.4590 37.0517 178.6132 29 L 3.4736 7.6377 119.6307 57.5269 41.2482 179.6993 30 I 3.6844 7.7039 119.8873 64.1569 36.9664 178.3538 31 R 3.7665 7.9207 119.5937 59.2147 29.8018 178.2007 32 L 3.8645 7.7877 120.0695 58.3814 41.9235 179.0330 33 F 4.5554 7.8595 117.8430 60.5346 38.5589 177.9732 34 K 4.0280 8.2054 117.6901 59.6495 31.9989 179.4071 35 S 4.2546 8.0091 114.3526 60.4978 64.1146 174.5970 36 H 4.7515 8.3203 118.5934 51.8527 29.4933 171.7037 37 P 4.4936 0.0000 0.0000 64.6101 31.2810 177.5118 38 E 4.3715 8.4612 117.4603 58.9415 29.5323 179.1265 39 T 3.7729 8.1514 111.0276 64.3485 68.8098 176.3655 40 L 3.6020 7.9192 123.4612 57.8803 41.8793 178.7013 41 E 4.0594 8.0427 118.4699 58.9464 29.1231 178.9864 42 K 4.5053 8.0117 116.7975 57.5369 33.0887 177.6381 43 H 4.7374 8.0688 117.9064 53.9346 27.9165 174.6797 44 D 4.3220 8.4432 125.7128 57.2305 40.8931 177.9907 45 R 3.7996 7.7169 117.9601 58.0475 30.3950 176.6169 46 F 4.9389 7.8175 114.8890 56.5410 40.4300 176.8379 47 K 3.8481 8.2966 120.7619 59.6293 31.8737 177.4209 48 H 4.4784 8.1858 112.1331 56.7723 29.1643 175.6638 49 L 4.0817 7.5547 121.4418 55.0905 41.7146 176.9219 50 K 4.3447 9.3378 123.3161 57.2073 33.5906 176.8876 51 T 4.7449 7.3098 107.5767 58.9025 73.2366 174.2623 52 E 3.9472 8.6362 120.8735 59.2443 29.5437 178.5898 53 A 4.0023 7.9250 120.5745 55.1563 18.2807 179.3080 54 E 3.9608 7.9517 116.2130 59.6619 29.9023 179.1933 55 M 4.1838 8.0011 118.8263 58.4247 31.8477 178.9735 56 K 3.9677 8.2555 117.5023 59.1088 32.2673 178.6016 57 A 4.4072 7.5273 118.9135 52.2503 19.1015 177.2742 58 S 4.2512 7.5089 113.4721 57.7808 62.7213 174.7128 59 E 4.1055 8.8632 127.5502 59.3527 29.5287 178.7367 60 D 4.4876 8.1682 119.7255 57.2730 40.9664 178.2001 61 L 3.4243 8.0497 120.8876 57.7468 42.0505 178.8994 62 K 3.8908 7.9139 119.1896 59.4160 32.1330 179.0022 63 K 4.0322 8.2643 118.8782 59.3072 31.8769 179.1188 64 L 4.1762 8.2556 120.8810 58.0178 42.0431 179.1767 65 G 3.6093 8.3408 105.9811 47.8268 0.0000 175.8381 66 V 3.6381 7.7769 120.5645 66.0023 31.5721 178.2372 67 T 3.8975 8.0200 115.5131 66.5703 68.2519 176.7937 68 V 3.6243 8.1354 120.3347 66.1967 31.5841 178.1947 69 L 4.2348 8.0948 118.6755 58.0284 41.3991 179.7061 70 T 3.9824 8.2940 115.7884 66.5456 68.3192 176.6834 71 A 4.0009 8.1219 122.7876 55.0431 18.3397 179.4889 72 L 3.7453 8.2278 119.1819 58.0509 42.1380 179.4004 73 G 3.3295 8.5955 105.9650 47.6660 0.0000 175.5419 74 A 4.0258 7.7821 122.2323 54.7957 18.6166 179.6537 75 I 3.7839 7.4460 118.0568 64.5782 37.2669 178.5797 76 L 3.9610 7.7739 119.9908 57.7154 41.1895 179.5675 77 K 4.0053 7.6803 116.6318 58.2771 32.2623 178.7275 78 K 3.9618 7.8336 118.5605 56.0919 32.4206 176.7055 79 K 2.0000 8.2778 117.9919 56.4260 29.8424 175.7355 80 G 3.9608 7.9886 106.4319 45.7686 0.0000 174.3328 81 H 4.5280 7.3803 119.1502 55.0110 27.3770 174.7807 82 H 5.1384 7.6173 111.9731 54.1410 29.7652 176.2957 83 E 3.9760 8.5965 120.7910 60.3891 28.6670 179.0633 84 A 4.0140 7.9153 119.8584 54.7913 18.7859 179.0360 85 E 4.0838 8.1504 116.6458 59.2957 29.5220 179.1189 86 L 4.0331 8.1449 120.6190 57.6608 42.0876 178.7510 87 K 3.9120 7.8488 119.1270 59.2713 32.1313 177.4448 88 P 4.3057 0.0000 0.0000 65.5958 31.2831 178.2013 89 L 4.0265 7.5076 117.5529 58.0034 42.0800 178.7615 90 A 4.2253 8.4597 121.2392 55.1318 18.2504 179.4092 91 Q 3.8919 8.3395 118.4042 59.3768 29.1214 178.6944 92 S 4.0206 8.2013 115.3213 61.8404 63.1416 176.0810 93 H 4.1973 8.6461 119.3330 57.6159 28.0555 177.5981 94 A 2.7892 7.8022 122.8078 54.6139 18.4417 179.5297 95 T 3.7971 7.4662 112.5360 65.6399 68.9051 176.4312 96 K 4.0141 7.5001 120.1879 59.1425 32.6848 177.4199 97 H 4.3338 7.9373 114.7611 56.1845 29.5056 175.5638 98 K 3.3726 7.4315 116.7945 56.0480 28.5896 175.1444 99 I 4.3408 8.1367 118.9265 58.6567 38.5151 174.9545 100 P 4.5796 0.0000 0.0000 62.2407 32.2062 177.2553 101 I 3.5852 8.3066 121.4030 64.6840 37.0175 178.3428 102 K 3.5770 8.0005 119.6850 60.0668 31.8405 178.1697 103 Y 4.1688 7.8814 116.3674 60.7781 37.7828 178.2668 104 L 4.2188 7.9725 120.2807 57.5622 41.6616 179.2673 105 E 4.0388 7.9021 118.3875 59.3205 29.4825 179.0670 106 F 4.5138 7.8119 117.7315 60.7942 38.9671 177.6085 107 I 3.8746 8.1385 118.1100 63.8760 37.7352 178.1078 108 S 4.2028 8.0911 116.3852 61.4931 62.6366 176.1682 109 E 4.0128 8.4439 121.8661 59.2706 29.4241 178.7579 110 A 4.0311 8.0507 120.8906 55.0957 18.4244 179.7119 111 I 3.6927 8.0196 118.4201 64.6647 37.2347 178.7452 112 I 3.8471 7.8970 120.6882 64.5493 36.9132 177.9947 113 H 4.1316 8.4559 119.1559 59.3009 29.6492 177.5616 114 V 3.5585 7.8684 120.0209 65.9883 31.2843 178.0123 115 L 3.7747 7.8045 118.7653 57.8733 41.0564 178.9739 116 H 4.3595 7.8706 117.3207 59.3291 29.8685 177.3295 117 S 4.1663 7.6805 116.1641 61.5657 62.8183 176.3713 118 R 4.0948 7.9345 119.1193 57.3695 31.4669 176.4824 119 H 5.0181 8.2391 115.5237 53.5903 29.4864 172.6758 120 P 4.3080 0.0000 0.0000 65.9261 31.6283 179.4843 121 G 3.6444 8.1495 106.5635 47.5550 0.0000 173.7044 122 N 4.9747 8.1088 114.9151 52.9289 39.2895 174.8895 123 F 4.9286 7.8446 119.1645 56.4933 39.5973 174.3525 124 G 3.9004 7.6963 108.7872 43.7658 0.0000 172.0932 125 A 3.8853 8.4460 120.7272 55.4908 18.2550 179.6278 126 D 4.1846 7.9771 116.4034 57.4887 40.9079 178.8049 127 A 3.9334 7.7407 120.7530 55.0516 18.3798 179.3264 128 Q 3.1212 7.7938 118.4212 58.8109 29.0256 178.6046 129 G 3.5122 8.1046 106.7269 47.6760 0.0000 175.5261 130 A 3.8449 7.9001 123.3200 55.0233 18.4062 179.4143 131 M 4.0018 8.1832 116.8654 58.7456 32.2538 177.9164 132 N 4.3243 8.5687 117.7021 56.5708 39.0774 176.7510 133 K 3.8377 8.1688 120.8489 59.3624 32.2592 178.6613 134 A 3.8211 7.9442 121.0615 55.1681 18.2160 179.6806 135 L 4.1190 8.1413 117.5288 57.7813 41.5842 179.5924 136 E 3.9666 8.5392 119.0533 59.1835 29.4062 178.9871 137 L 3.9434 8.1330 120.5096 58.1006 42.1297 178.6382 138 F 4.1688 8.3832 120.4764 61.6465 39.2409 177.3737 139 R 3.4658 8.2453 117.6858 58.8227 29.8117 179.0270 140 K 3.8334 8.2494 119.7769 59.6269 32.2886 178.7253 141 D 4.3323 8.1395 119.1984 57.3073 40.6383 178.8492 142 I 3.4654 7.5677 120.2680 64.0832 36.9960 178.2878 143 A 3.6820 7.9259 121.6510 55.0031 18.2686 179.5710 144 A 3.9561 7.8928 119.2430 55.1968 18.3876 180.0900 145 K 4.0093 7.9462 116.9672 59.6611 32.0357 179.0272 146 Y 4.3745 8.4529 117.5071 61.2380 37.8332 178.9925 147 K 3.9788 8.1337 119.0580 59.7488 32.0014 179.2764 148 E 4.0455 7.9245 117.0050 59.2280 29.4661 178.7716 149 L 4.3247 7.9559 116.8545 55.3109 41.8931 177.8194 150 G 3.9465 8.0360 107.4356 45.6429 0.0000 172.9351 151 Y 4.2514 8.0290 119.1691 59.6571 40.1105 177.3888 152 Q 3.1038 7.8804 115.4807 56.7123 26.7210 174.2460 153 G 3.4433 7.7955 114.2446 45.6832 0.0000 170.9747 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 0 M 8.30 4.46 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.87 4.25 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.39 0.00 1.07 0.74 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.70 4.54 0.00 4.05 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 4 E 8.80 4.30 0.00 2.20 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 0.00 2.43 2.52 0.00 5 G 8.10 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.03 3.91 0.00 1.92 1.70 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 2.21 2.25 0.00 7 W 7.98 4.31 0.00 3.61 3.21 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 8 Q 8.53 4.14 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 9 L 7.88 4.09 0.00 1.84 1.74 0.88 1.24 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 10 V 7.93 3.73 2.41 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 1.18 0.00 0.00 0.91 0.00 0.00 11 L 8.56 4.28 0.00 1.84 1.82 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.50 4.25 0.00 3.43 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.53 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 1.05 0.00 0.00 0.88 0.00 0.00 14 W 8.59 3.91 0.00 3.68 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 15 A 7.92 3.98 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 16 K 7.33 3.96 0.00 1.36 1.71 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 17 V 7.15 2.87 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 0.00 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 18 E 7.60 3.90 0.00 1.98 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 2.20 2.06 0.00 19 A 7.48 4.21 1.29 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 0.00 0.00 20 D 7.88 4.67 0.00 2.71 2.52 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 21 V 7.89 3.46 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.98 4.05 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 23 G 8.19 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 24 H 8.28 4.21 0.00 3.12 3.23 0.00 5.82 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 25 G 8.33 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 26 Q 8.04 3.89 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 27 D 7.98 4.32 0.00 2.77 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 28 I 7.80 3.65 1.89 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 1.51 0.61 0.88 0.00 0.00 29 L 7.64 3.47 0.00 1.47 1.14 0.84 0.59 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 30 I 7.70 3.68 1.88 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 1.42 0.75 0.89 0.00 0.00 31 R 7.92 3.77 0.00 1.94 2.07 0.00 3.00 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 32 L 7.79 3.86 0.00 1.69 1.36 1.02 0.91 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 33 F 7.86 4.56 0.00 3.04 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 34 K 8.21 4.03 0.00 1.67 1.83 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.67 7.81 35 S 8.01 4.25 0.00 3.76 3.55 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 0.00 0.00 0.00 0.00 36 H 8.32 4.75 0.00 2.90 2.90 0.00 5.64 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 37 P 0.00 4.49 0.00 2.15 2.12 0.00 3.83 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 2.09 2.13 0.00 38 E 8.46 4.37 0.00 2.28 2.28 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 2.25 2.35 0.00 39 T 8.15 3.77 4.35 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 0.79 0.00 0.00 40 L 7.92 3.60 0.00 1.46 1.75 0.04 0.77 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 41 E 8.04 4.06 0.00 2.30 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 2.35 2.38 0.00 42 K 8.01 4.51 0.00 2.07 1.94 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.75 2.03 7.81 43 H 8.07 4.74 0.00 3.44 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.44 4.32 0.00 2.59 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 45 R 7.72 3.80 0.00 1.37 0.66 0.00 3.03 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.43 0.00 46 F 7.82 4.94 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.30 3.85 0.00 1.75 1.92 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 48 H 8.19 4.48 0.00 3.28 3.42 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.55 4.08 0.00 1.57 1.60 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.34 4.34 0.00 1.68 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.52 7.81 51 T 7.31 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.64 3.95 0.00 2.05 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 0.00 2.36 2.37 0.00 53 A 7.92 4.00 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 54 E 7.95 3.96 0.00 2.13 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 2.35 2.34 0.00 55 M 8.00 4.18 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 56 K 8.26 3.97 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 57 A 7.53 4.41 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 S 7.51 4.25 0.00 3.95 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 59 E 8.86 4.11 0.00 2.26 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 2.40 2.45 0.00 60 D 8.17 4.49 0.00 3.16 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 61 L 8.05 3.42 0.00 1.08 1.60 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.91 3.89 0.00 1.86 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.26 4.03 0.00 2.06 1.90 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.73 7.81 64 L 8.26 4.18 0.00 1.99 1.87 1.07 1.09 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 65 G 8.34 3.61 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 0.00 0.00 0.00 66 V 7.78 3.64 2.24 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 8.02 3.90 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 1.28 0.00 0.00 68 V 8.14 3.62 2.25 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 1.08 0.00 0.00 1.08 0.00 0.00 69 L 8.09 4.23 0.00 1.80 1.84 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.29 3.98 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 1.25 0.00 0.00 71 A 8.12 4.00 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 72 L 8.23 3.75 0.00 1.67 1.63 0.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.60 3.33 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 0.00 74 A 7.78 4.03 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 75 I 7.45 3.78 1.84 0.00 0.00 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 1.53 0.58 0.90 0.00 0.00 76 L 7.77 3.96 0.00 1.20 1.53 -0.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 4.01 0.00 1.66 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.83 3.96 0.00 1.81 1.80 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.61 1.59 7.81 79 K 8.28 2.00 0.00 1.27 0.74 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.33 0.68 7.81 80 G 7.99 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 81 H 7.38 4.53 0.00 3.18 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.62 5.14 0.00 3.29 3.46 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 3.98 0.00 2.20 2.32 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 2.39 2.37 0.00 84 A 7.92 4.01 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 85 E 8.15 4.08 0.00 2.25 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 0.00 2.40 2.43 0.00 86 L 8.14 4.03 0.00 2.02 1.68 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.85 3.91 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.67 7.81 88 P 0.00 4.31 0.00 2.30 2.33 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.51 4.03 0.00 1.92 1.94 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.46 4.23 1.49 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 91 Q 8.34 3.89 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.20 4.02 0.00 4.06 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 93 H 8.65 4.20 0.00 3.58 3.61 0.00 5.80 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 94 A 7.80 2.79 0.67 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 0.00 0.00 95 T 7.47 3.80 4.20 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 1.12 0.00 0.00 96 K 7.50 4.01 0.00 1.54 1.64 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.35 7.81 97 H 7.94 4.33 0.00 3.09 3.27 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.43 3.37 0.00 1.81 1.79 0.00 1.59 0.00 0.00 2.32 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.20 7.81 99 I 8.14 4.34 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.15 0.00 0.00 100 P 0.00 4.58 0.00 1.97 2.01 0.00 3.23 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.22 0.00 101 I 8.31 3.59 1.90 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.79 0.00 0.00 102 K 8.00 3.58 0.00 1.71 1.63 0.00 1.53 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 0.97 7.81 103 Y 7.88 4.17 0.00 3.21 3.04 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 0.00 104 L 7.97 4.22 0.00 1.84 1.77 0.69 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.90 4.04 0.00 2.06 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 2.39 2.47 0.00 106 F 7.81 4.51 0.00 3.20 2.83 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 0.00 107 I 8.14 3.87 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 1.06 0.00 0.00 108 S 8.09 4.20 0.00 4.23 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 0.00 109 E 8.44 4.01 0.00 2.18 2.30 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 2.37 2.40 0.00 110 A 8.05 4.03 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 I 8.02 3.69 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 1.03 0.00 0.00 112 I 7.90 3.85 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.08 1.13 0.00 0.00 113 H 8.46 4.13 0.00 3.35 3.47 0.00 5.78 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 0.00 114 V 7.87 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 115 L 7.80 3.77 0.00 1.05 0.20 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.36 0.00 3.46 3.60 0.00 5.95 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 0.00 117 S 7.68 4.17 0.00 3.98 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 0.00 118 R 7.93 4.09 0.00 1.58 1.61 0.00 3.11 0.00 0.00 2.97 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 119 H 8.24 5.02 0.00 3.19 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.21 2.27 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.15 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 0.00 122 N 8.11 4.97 0.00 2.83 2.95 0.00 0.00 6.68 7.23 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 0.00 123 F 7.84 4.93 0.00 2.95 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 0.00 124 G 7.70 3.90 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 0.00 0.00 0.00 125 A 8.45 3.89 1.27 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 0.00 0.00 126 D 7.98 4.18 0.00 2.64 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 0.00 127 A 7.74 3.93 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 0.00 128 Q 7.79 3.12 0.00 1.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 129 G 8.10 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 3.84 1.27 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 0.00 0.00 131 M 8.18 4.00 0.00 2.37 2.37 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.91 0.00 132 N 8.57 4.32 0.00 2.90 2.93 0.00 0.00 6.86 6.89 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 0.00 133 K 8.17 3.84 0.00 1.92 1.75 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.94 3.82 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 0.00 135 L 8.14 4.12 0.00 1.77 1.83 1.00 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 0.00 136 E 8.54 3.97 0.00 2.16 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 2.59 0.00 137 L 8.13 3.94 0.00 1.85 1.97 1.07 1.03 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 0.00 138 F 8.38 4.17 0.00 3.14 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 0.00 139 R 8.25 3.47 0.00 1.95 1.83 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 140 K 8.25 3.83 0.00 1.77 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.14 4.33 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.57 3.47 1.27 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.13 0.19 0.00 0.00 143 A 7.93 3.68 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.89 3.96 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 0.00 145 K 7.95 4.01 0.00 2.06 1.95 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.45 4.37 0.00 3.18 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 0.00 147 K 8.13 3.98 0.00 1.99 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.47 1.94 7.81 148 E 7.92 4.05 0.00 2.15 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 0.00 2.36 2.54 0.00 149 L 7.96 4.32 0.00 1.80 1.71 0.97 0.85 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 0.00 150 G 8.04 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 0.00 151 Y 8.03 4.25 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.88 3.10 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 153 G 7.80 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00