NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -10 P 4.3720 0.0000 0.0000 61.7505 33.2558 176.3152 -9 T 3.9718 7.3989 109.4169 63.4585 71.0502 171.9100 -8 T 4.2026 8.4808 124.9870 63.9251 67.7825 173.1540 -7 E 4.5286 7.8600 124.8369 53.5489 29.3676 175.0730 -6 N 4.2996 8.0418 119.8772 54.9866 38.3400 175.5200 -5 L 4.6157 8.3299 124.6418 55.2944 42.8491 178.3806 *-4 Y 4.1670 8.0434 117.6503 59.6614 36.8745 182.3732 -3 F 4.3546 7.9884 121.8177 59.0993 40.0457 172.7208 -2 Q 3.0353 7.7543 127.7911 54.2065 24.7351 173.2392 -1 G 4.0364 8.7247 115.7997 45.8617 0.0000 171.3186 0 A 3.9721 9.2360 123.2334 53.6060 18.6808 179.3298 1 M 4.8268 8.2788 115.0673 54.2248 35.0274 174.0118 2 A 4.2920 8.0080 118.7666 53.5739 19.0167 177.7565 3 V 4.0058 7.1751 116.6309 62.8729 32.2105 175.4385 4 E 4.5550 8.6781 123.6903 55.9334 32.6216 174.9700 5 Y 5.2159 8.4187 117.2350 56.0067 42.4851 173.9513 6 L 4.9852 8.7107 125.7092 53.7047 43.8683 175.0337 7 V 4.8191 8.9168 127.4239 61.3719 33.3681 174.7314 8 D 4.7209 8.1910 126.1158 51.4847 42.1850 177.1320 9 A 3.9831 8.3691 119.7351 55.5186 18.0508 179.9039 10 S 4.1111 7.9217 111.9102 61.3487 62.9712 176.4186 11 A 3.9280 8.6521 124.7530 54.8197 18.1866 178.9410 12 L 3.6092 8.4429 119.5880 58.5991 41.7813 178.3203 13 Y 3.8000 8.2299 117.8708 60.8666 38.9123 177.9816 14 A 4.2074 7.8550 121.1559 55.3371 18.6281 179.4970 15 L 4.0325 8.2297 117.3155 57.8365 41.3337 179.5939 16 A 4.4005 7.7306 119.4953 54.4151 18.1976 178.2633 17 A 4.7795 7.9785 117.6749 52.2396 19.8627 177.1204 18 H 4.9619 8.5272 114.7086 58.2196 31.1255 176.0037 19 Y 3.0669 7.8649 121.3901 60.5360 39.6811 177.9706 20 D 4.1430 8.3243 119.2756 57.3431 41.0571 179.1450 21 K 4.0800 7.7727 117.0283 58.4550 32.2491 177.5608 22 W 5.0810 7.1441 111.5187 55.3718 29.8694 176.8611 23 I 2.8089 6.9803 120.6151 63.9294 37.1016 177.6923 24 K 4.0160 7.6882 116.9229 58.6944 32.1343 177.1292 25 H 4.7422 8.4127 115.8973 55.7869 29.5676 177.5391 26 R 3.7614 7.9195 118.1656 59.1363 29.3114 178.2933 27 E 4.0433 8.1992 115.0098 57.9657 29.6373 177.3240 28 K 4.6040 8.7738 118.7801 56.4230 32.9707 175.3719 29 L 5.4446 8.2621 120.5886 52.9198 44.3547 175.4808 30 A 5.4686 9.3967 124.5645 50.4756 23.3655 174.4413 31 I 5.0195 8.7836 111.9831 59.5994 42.0678 173.8656 32 L 4.9564 8.3109 120.9156 53.0337 44.3354 178.0646 33 H 4.1892 8.8444 117.2721 59.0029 29.2521 177.8107 34 L 4.1982 8.2178 120.4695 58.6599 41.6661 178.8949 35 T 4.0259 7.9087 115.3103 66.7103 68.2852 176.4023 36 I 3.6116 7.5480 121.7010 64.7365 37.1399 178.1323 37 Y 4.0506 7.7902 116.8885 61.0096 37.7429 178.2831 38 E 3.9496 8.3616 119.2944 59.1949 29.7163 179.1440 39 A 4.2124 8.3674 121.1738 55.1595 18.4110 179.8732 40 G 3.6420 8.3127 104.3272 48.1607 0.0000 175.3385 41 N 4.4680 8.8056 120.0017 56.3465 38.6966 176.7793 42 A 3.9732 8.2849 122.3864 54.9388 18.3425 179.3763 43 L 4.4756 8.0856 119.9358 57.1929 42.2027 178.7300 44 W 4.2194 8.6562 128.9047 60.6670 30.7416 178.1648 45 K 3.3972 7.9360 117.6533 59.1071 31.1368 179.2886 46 E 3.9171 7.7152 117.4749 58.9749 29.3084 178.9820 47 A 3.9511 8.1532 121.1589 55.4179 18.2659 179.7400 48 R 3.5758 7.5325 115.2674 58.8996 29.9755 178.1191 49 L 4.4690 6.9911 116.2209 54.5149 42.0492 177.5573 50 G 3.9623 8.3568 108.4633 44.8155 0.0000 174.5735 51 R 3.8974 7.7733 120.2890 56.8157 30.3794 176.3970 52 V 3.8612 8.6989 125.6968 65.7879 31.9433 176.6748 53 D 4.7650 8.0068 118.7154 53.0042 40.2504 178.0317 54 W 4.5002 8.4987 120.0756 60.8811 27.4959 177.2589 55 A 3.7791 6.6188 119.4781 54.4977 17.9057 178.9787 56 A 3.9800 7.6845 118.5110 55.1655 18.4400 179.5102 57 A 3.9918 8.4520 120.0285 55.3621 18.4974 180.0137 58 S 4.1612 8.7294 113.1055 61.6526 62.9382 177.0590 59 R 3.9788 7.7638 121.8977 59.2152 29.7929 178.3860 60 H 4.1828 8.1330 117.7058 59.0632 30.0006 176.8515 61 L 3.8886 8.2393 122.5518 58.0320 41.8945 178.8653 62 K 3.9863 8.1381 119.5218 59.4305 31.8982 178.6602 63 K 3.9447 7.8517 117.6232 59.5760 32.2739 178.7698 64 V 4.1641 8.2656 118.5373 66.7294 31.5040 177.9201 65 L 4.1637 8.7015 118.8454 58.1391 41.3171 179.7853 66 S 4.3819 8.3065 112.7458 61.0282 63.0338 176.2528 67 S 4.2970 8.3877 118.0999 59.7249 62.8719 173.9652 68 F 4.7905 7.5889 119.9972 55.8847 40.7652 175.3933 69 K 4.3654 8.5748 123.0702 55.8888 33.5988 175.5346 70 V 4.6442 8.3012 127.2371 61.4219 32.4876 175.4397 71 L 4.4677 8.6588 128.5713 53.9527 42.6647 176.9482 72 E 4.2732 8.5866 119.8956 56.0780 30.1611 176.9673 73 D 4.5376 8.4299 121.1039 53.8438 41.5033 175.1073 74 P 4.6163 0.0000 0.0000 61.3732 32.5569 175.0205 75 P 4.3722 0.0000 0.0000 62.2498 32.6049 177.5225 76 L 4.2126 8.6101 124.5484 58.2178 42.2155 178.7422 77 D 4.3678 8.0468 118.6525 56.5160 39.2961 178.2964 78 E 3.7743 7.9099 119.5481 58.9401 29.4081 179.1918 79 V 3.1212 7.0829 117.5325 65.7126 31.5112 177.3744 80 L 4.0296 7.9735 120.0356 58.5966 41.8221 179.0166 81 R 3.9036 7.8506 117.9725 59.5577 29.9502 178.6472 82 V 3.6102 7.5961 117.3121 65.6628 31.4751 177.8833 83 A 3.9583 8.2663 120.9604 55.1719 18.0796 179.6474 84 V 3.5379 7.9097 115.6047 66.4213 31.6871 177.8271 85 E 4.1325 8.4516 117.2456 58.6875 29.4212 178.5580 86 R 4.4747 8.3718 115.5314 54.7710 31.3939 175.9164 87 G 3.8020 8.3705 106.5224 47.0217 0.0000 173.6402 88 L 4.8580 7.5713 116.7027 52.0040 45.5683 177.6559 89 T 4.1944 8.1765 111.6319 61.3615 70.9618 175.2522 90 F 3.8905 8.6018 122.9524 61.5365 37.8639 176.5506 91 Y 4.4819 7.8141 115.7782 61.6353 37.9253 178.5087 92 D 4.8448 8.4932 119.3649 57.2717 40.8146 178.6732 93 A 4.0376 8.1762 121.4289 55.0207 18.2500 179.5505 94 S 4.0422 7.7483 113.6206 62.1861 62.8495 176.7879 95 Y 3.9933 7.6290 118.4514 60.9810 37.6636 178.3430 96 A 4.0279 8.0591 121.3674 55.2687 18.4114 178.9412 97 Y 3.9036 8.8460 119.0737 60.9858 38.9154 178.5288 98 V 3.3554 8.3258 119.2647 65.6994 31.5948 177.7750 99 A 3.9493 8.2425 120.7116 55.2548 18.4239 179.5520 100 E 3.7910 8.0448 116.8700 59.6197 29.1337 179.4874 101 S 3.9429 7.7622 115.4447 61.6038 62.6651 176.3261 102 S 4.8466 7.2414 115.2237 56.6153 62.9805 174.2290 103 G 3.8188 7.6941 109.2397 46.8390 0.0000 173.8057 104 L 4.6171 8.1864 118.2298 52.5546 45.0392 176.9275 105 V 4.0889 7.9231 121.2028 61.4226 32.7376 174.8513 106 L 4.6567 8.5422 131.5395 55.1253 43.5162 175.3736 107 V 4.7272 9.2378 127.8308 61.8612 33.2378 174.4923 108 T 4.9961 8.7437 121.3106 61.2269 71.0490 173.6031 109 Q 4.3242 8.3878 124.8988 55.9113 29.8536 175.6734 110 D 4.5183 8.5735 117.9921 54.2447 41.6622 176.1474 111 R 3.8774 8.6957 127.7512 59.5320 30.0986 178.5356 112 E 3.9010 8.5855 118.7560 59.4319 29.5246 178.9817 113 L 4.1001 8.0210 118.1811 57.4588 41.4226 179.3570 114 L 4.0066 7.8988 118.6271 57.1992 41.6742 178.4165 115 A 4.3871 7.6991 118.0576 52.6154 19.1078 177.7637 116 K 4.4543 7.6795 114.6658 56.0436 33.3777 175.9780 117 T 4.7440 7.5453 116.9926 61.1502 70.7210 173.7191 118 K 3.9758 9.0991 127.4009 57.6158 32.4538 177.4599 119 G 3.8536 8.9470 110.6644 45.8120 0.0000 173.1840 120 A 4.6458 7.5169 121.3202 51.6490 19.3392 177.5587 121 I 4.8108 8.7033 113.3404 59.3218 42.1297 174.2100 122 D 5.4704 8.3457 122.4670 51.5836 41.6882 177.5775 123 V 3.4715 8.4893 117.2240 66.0755 31.1873 177.2470 124 E 3.8907 8.1832 118.4716 59.8331 29.4219 178.9221 125 T 3.8601 8.7942 115.8586 66.4409 68.6377 176.3509 126 L 3.7427 7.8758 122.2682 58.2297 41.9496 179.1322 127 L 3.9972 7.9547 118.7437 57.8427 41.5041 179.9476 128 V 3.6303 7.5844 112.5160 64.4711 31.2585 178.8693 129 R 3.9950 7.7490 116.8278 59.0778 29.9206 178.6673 130 L 4.0680 7.5326 117.3328 57.0613 41.7911 178.8313 131 A 4.1680 8.0935 119.9934 53.6211 18.6785 177.5582 132 A 4.7281 7.7164 120.1268 52.2051 19.6588 176.2074 133 Q 4.2371 8.0354 126.6108 57.2678 29.3384 174.7361 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 -10 P 0.00 4.37 0.00 2.11 2.03 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 -9 T 7.40 3.97 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 -8 T 8.48 4.20 4.21 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 1.18 0.00 0.00 -7 E 7.86 4.53 0.00 1.97 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 2.38 2.24 0.00 -6 N 8.04 4.30 0.00 2.78 2.89 0.00 0.00 6.91 6.74 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 -5 L 8.33 4.62 0.00 1.65 1.72 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *-4 Y 8.04 4.17 0.00 2.33 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 0.00 0.00 0.00 -3 F 7.99 4.35 0.00 2.89 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 -2 Q 7.75 3.04 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.03 1.67 0.00 -1 G 8.72 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 0 A 9.24 3.97 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 1 M 8.28 4.83 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.10 0.00 2 A 8.01 4.29 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 3 V 7.18 4.01 2.11 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 0.84 0.00 0.00 0.98 0.00 0.00 4 E 8.68 4.55 0.00 1.68 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 2.10 2.21 0.00 5 Y 8.42 5.22 0.00 2.95 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 6 L 8.71 4.99 0.00 1.87 1.62 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.92 4.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.99 0.00 0.00 8 D 8.19 4.72 0.00 1.58 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 0.00 0.00 0.00 9 A 8.37 3.98 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 S 7.92 4.11 0.00 4.00 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 11 A 8.65 3.93 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 12 L 8.44 3.61 0.00 1.54 1.85 0.89 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.23 3.80 0.00 3.14 3.06 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 14 A 7.85 4.21 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 15 L 8.23 4.03 0.00 1.66 1.24 0.58 0.81 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 16 A 7.73 4.40 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 17 A 7.98 4.78 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 18 H 8.53 4.96 0.00 3.64 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.86 3.07 0.00 3.00 2.78 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 20 D 8.32 4.14 0.00 2.71 2.65 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 21 K 7.77 4.08 0.00 2.05 1.99 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.47 7.81 22 W 7.14 5.08 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 6.98 2.81 0.56 0.00 0.00 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 0.71 0.80 0.53 0.00 0.00 24 K 7.69 4.02 0.00 1.58 1.70 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.32 7.81 25 H 8.41 4.74 0.00 3.41 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.92 3.76 0.00 2.09 2.20 0.00 2.76 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 27 E 8.20 4.04 0.00 2.12 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 0.00 2.32 2.31 0.00 28 K 8.77 4.60 0.00 2.13 2.14 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.48 7.81 29 L 8.26 5.44 0.00 1.48 1.86 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.40 5.47 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 31 I 8.78 5.02 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.49 0.00 0.00 32 L 8.31 4.96 0.00 1.46 1.49 0.03 1.21 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 33 H 8.84 4.19 0.00 3.43 3.55 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 34 L 8.22 4.20 0.00 1.79 1.74 1.19 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.91 4.03 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 1.19 0.00 0.00 36 I 7.55 3.61 1.38 0.00 0.00 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 1.46 0.65 0.67 0.00 0.00 37 Y 7.79 4.05 0.00 3.22 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 38 E 8.36 3.95 0.00 2.08 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 0.00 2.18 2.45 0.00 39 A 8.37 4.21 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 40 G 8.31 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 41 N 8.81 4.47 0.00 2.90 3.00 0.00 0.00 7.17 8.61 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 42 A 8.28 3.97 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.09 4.48 0.00 1.99 1.86 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.66 4.22 0.00 3.46 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 45 K 7.94 3.40 0.00 1.89 1.62 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.20 1.78 7.81 46 E 7.72 3.92 0.00 2.25 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 2.33 2.57 0.00 47 A 8.15 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.53 3.58 0.00 1.19 1.56 0.00 3.07 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.00 49 L 6.99 4.47 0.00 1.73 1.59 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.36 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 51 R 7.77 3.90 0.00 1.88 2.03 0.00 3.35 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 52 V 8.70 3.86 2.11 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 0.89 0.00 0.00 0.97 0.00 0.00 53 D 8.01 4.77 0.00 2.89 2.82 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 54 W 8.50 4.50 0.00 3.65 3.41 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 55 A 6.62 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.68 3.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.45 3.99 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 0.00 0.00 0.00 0.00 0.00 58 S 8.73 4.16 0.00 4.14 4.42 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 59 R 7.76 3.98 0.00 2.01 2.01 0.00 3.09 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 60 H 8.13 4.18 0.00 3.19 3.48 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.24 3.89 0.00 1.94 1.78 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.14 3.99 0.00 2.00 2.01 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 63 K 7.85 3.94 0.00 1.95 1.86 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.57 7.81 64 V 8.27 4.16 2.35 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 1.54 0.00 0.00 1.09 0.00 0.00 65 L 8.70 4.16 0.00 1.94 1.78 0.98 0.71 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 66 S 8.31 4.38 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.39 4.30 0.00 4.03 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 68 F 7.59 4.79 0.00 3.08 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 69 K 8.57 4.37 0.00 1.93 1.75 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 70 V 8.30 4.64 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 0.55 0.00 0.00 0.95 0.00 0.00 71 L 8.66 4.47 0.00 1.57 1.60 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.59 4.27 0.00 1.99 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 2.35 2.35 0.00 73 D 8.43 4.54 0.00 2.70 2.65 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 74 P 0.00 4.62 0.00 1.94 2.17 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 75 P 0.00 4.37 0.00 2.05 1.96 0.00 3.46 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 76 L 8.61 4.21 0.00 1.75 1.67 0.70 1.14 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 77 D 8.05 4.37 0.00 2.89 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 78 E 7.91 3.77 0.00 1.51 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 2.31 2.24 0.00 79 V 7.08 3.12 1.55 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 0.05 0.00 0.00 0.46 0.00 0.00 80 L 7.97 4.03 0.00 2.15 1.85 0.93 0.75 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 81 R 7.85 3.90 0.00 2.05 2.03 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 82 V 7.60 3.61 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 0.98 0.00 0.00 1.12 0.00 0.00 83 A 8.27 3.96 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 84 V 7.91 3.54 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 0.87 0.00 0.00 0.99 0.00 0.00 85 E 8.45 4.13 0.00 2.04 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 2.35 2.41 0.00 86 R 8.37 4.47 0.00 1.78 1.96 0.00 3.27 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 87 G 8.37 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 0.00 0.00 0.00 88 L 7.57 4.86 0.00 1.61 1.57 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.18 4.19 4.34 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 1.29 0.00 0.00 90 F 8.60 3.89 0.00 3.03 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 91 Y 7.81 4.48 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 92 D 8.49 4.84 0.00 2.81 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 93 A 8.18 4.04 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 94 S 7.75 4.04 0.00 3.85 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 95 Y 7.63 3.99 0.00 3.32 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 96 A 8.06 4.03 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 97 Y 8.85 3.90 0.00 3.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.33 3.36 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 0.94 0.00 0.00 1.10 0.00 0.00 99 A 8.24 3.95 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 0.00 100 E 8.04 3.79 0.00 2.03 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 2.30 2.32 0.00 101 S 7.76 3.94 0.00 3.34 3.59 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 0.00 102 S 7.24 4.85 0.00 3.92 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 0.00 103 G 7.69 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 0.00 0.00 0.00 104 L 8.19 4.62 0.00 1.45 1.55 0.93 0.70 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 0.00 105 V 7.92 4.09 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 1.16 0.00 0.00 0.87 0.00 0.00 106 L 8.54 4.66 0.00 1.82 1.57 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.24 4.73 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 0.77 0.00 0.00 0.96 0.00 0.00 108 T 8.74 5.00 4.21 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 1.18 0.00 0.00 109 Q 8.39 4.32 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 110 D 8.57 4.52 0.00 2.64 2.51 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 0.00 111 R 8.70 3.88 0.00 1.85 1.99 0.00 3.34 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 112 E 8.59 3.90 0.00 2.15 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 2.31 2.40 0.00 113 L 8.02 4.10 0.00 1.82 1.69 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.90 4.01 0.00 1.78 1.72 0.91 0.69 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 0.00 115 A 7.70 4.39 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 0.00 116 K 7.68 4.45 0.00 1.85 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.48 7.81 117 T 7.55 4.74 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 1.23 0.00 0.00 118 K 9.10 3.98 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 119 G 8.95 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 0.00 0.00 0.00 120 A 7.52 4.65 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 0.00 121 I 8.70 4.81 1.88 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 1.36 0.88 1.01 0.00 0.00 122 D 8.35 5.47 0.00 2.94 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 0.00 123 V 8.49 3.47 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 0.93 0.00 0.00 0.99 0.00 0.00 124 E 8.18 3.89 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 125 T 8.79 3.86 4.43 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 1.22 0.00 0.00 126 L 7.88 3.74 0.00 1.52 1.69 -0.09 0.15 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 0.00 127 L 7.95 4.00 0.00 1.86 1.69 0.79 0.87 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 0.00 128 V 7.58 3.63 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 1.01 0.00 0.00 1.01 0.00 0.00 129 R 7.75 4.00 0.00 1.94 2.06 0.00 3.28 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 130 L 7.53 4.07 0.00 1.74 1.52 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.09 4.17 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 0.00 132 A 7.72 4.73 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 0.00 133 Q 8.04 4.24 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.