NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *16 H 4.8253 8.2876 117.3796 54.0668 29.5824 174.0363 17 F 4.2629 9.1026 120.6234 58.2952 37.8605 175.1680 18 K 3.9605 7.6989 120.6284 58.3274 33.1000 178.3027 19 D 4.5249 7.4565 118.5061 52.9509 41.3353 174.3663 20 P 4.6694 0.0000 0.0000 63.3669 32.4249 175.0381 21 K 4.8307 9.2402 118.9807 55.4713 37.4578 175.1362 22 R 5.0849 9.1435 120.3504 53.8842 33.0172 175.7575 23 L 5.1401 8.5922 122.5335 53.4229 43.9123 174.6063 24 Y 4.8790 9.1557 126.8753 56.9154 40.5241 173.5787 25 C 4.2151 8.5394 127.8454 57.4520 32.4718 174.2844 26 K 3.7044 8.4586 128.5058 59.2173 31.8792 175.9482 27 N 4.2202 7.5553 116.7635 54.1892 37.8773 174.6207 28 G 3.6561 8.6803 115.0019 44.3909 0.0000 171.9329 29 G 3.0182 6.9801 106.2846 46.4380 0.0000 173.4112 30 F 4.8304 7.2838 116.5071 55.6034 42.1435 175.4762 31 F 5.3396 9.3133 121.5419 55.9895 40.3745 175.2437 32 L 4.4436 9.2611 126.6114 55.6046 43.2063 175.5631 33 R 4.9851 9.5120 126.5010 54.5776 33.3067 174.1806 34 I 4.5763 8.6721 129.4580 60.2742 38.9670 176.0624 *35 H 4.2790 8.8526 124.5926 53.2476 28.6174 171.9096 36 P 4.2208 0.0000 0.0000 65.8123 31.1966 177.2113 37 D 4.5339 7.9920 114.6133 53.3509 39.8715 177.0251 38 G 3.9526 8.5177 109.5178 45.4758 0.0000 173.8565 39 R 4.5599 7.3563 116.6720 55.4261 30.9972 175.6107 40 V 4.9542 8.1839 120.1786 61.1889 34.2625 174.3880 41 D 4.6741 8.5071 125.0614 52.8218 42.4749 173.9611 42 G 4.6244 8.5618 105.1482 45.0529 0.0000 172.8705 43 V 4.9138 8.6095 119.1783 60.4924 34.6636 175.8974 44 R 3.7571 9.0543 122.9743 58.6035 30.8902 177.1834 45 E 4.1752 8.3812 116.2327 56.2075 28.9926 182.5921 46 K 4.0299 8.8640 127.6800 55.7643 31.8896 175.1830 47 S 4.3869 8.0369 112.5857 60.6098 64.1458 175.0127 48 D 4.4250 8.1391 121.9442 53.0436 39.6697 181.1168 49 P 4.4663 0.0000 0.0000 63.9563 31.7746 176.5467 50 H 4.8187 8.0759 116.3424 55.6504 28.6919 175.7252 51 I 4.5056 7.1889 110.8159 59.5880 38.5387 174.7853 52 K 4.2649 7.7732 124.2139 56.3944 32.8867 175.4103 53 L 5.1834 9.0882 127.8814 52.8913 45.7956 175.5583 54 Q 4.7631 8.8594 121.9036 54.4572 31.4722 174.4153 55 L 5.0578 8.5862 126.5361 54.3807 43.5221 176.3912 56 Q 4.6818 8.6379 122.0552 54.9367 32.8350 173.6368 57 A 4.7161 8.8875 129.9610 52.1439 19.3280 176.4080 58 E 4.3767 8.9493 123.3861 57.3635 30.8606 175.2980 59 E 4.5657 7.6713 114.3295 54.6200 32.0853 173.9070 60 R 3.8495 8.6031 119.1154 58.1889 30.0624 176.3095 61 G 4.0262 9.1224 112.1170 45.7340 0.0000 172.0439 62 V 4.9092 8.0789 120.2936 61.0290 34.2144 174.9435 63 V 5.3620 9.3176 120.4610 59.6858 36.3988 174.3763 64 S 5.4157 9.0059 116.2373 55.9116 66.1825 173.0937 65 I 4.6715 8.4269 122.2746 59.5283 39.9558 174.0355 66 K 4.6375 8.6864 129.0798 54.0966 34.9121 175.2061 67 G 3.8381 8.7711 115.7330 45.9823 0.0000 174.3837 68 V 3.5581 8.4938 129.3783 66.7829 31.7899 178.2599 69 S 4.2115 8.0736 113.8212 61.1672 62.2398 177.3676 70 A 4.0667 8.0023 122.5417 52.9191 18.3145 176.6988 71 N 4.1196 7.9815 113.0481 54.9122 38.0300 173.5694 72 R 4.8893 7.4658 112.4390 54.3237 35.3121 174.0358 73 Y 4.9505 8.9607 118.6173 55.8950 40.4391 175.4355 74 L 4.5584 9.0370 126.5584 55.7132 43.5573 175.5764 75 A 5.2546 9.2867 125.9226 50.9785 23.3035 174.4805 76 M 5.2113 8.6539 119.8192 53.7497 34.5208 176.1943 77 K 4.5833 9.1619 128.6321 56.0221 33.3664 178.4652 78 E 3.1600 8.6694 116.0195 58.7065 29.5086 176.5764 79 D 4.5469 7.9946 114.8915 53.5601 40.1301 177.0741 80 G 3.4804 8.4911 111.5336 46.0294 0.0000 173.9699 81 R 4.4042 8.0870 120.0118 55.8307 31.1400 179.5586 82 L 5.0820 6.6602 120.6871 53.2438 43.7986 175.5907 83 L 4.6313 8.5602 121.4242 55.0612 44.6048 173.4309 84 A 5.3027 8.6018 121.3627 50.1949 20.8662 176.1054 85 S 4.6694 9.3489 120.7533 57.5925 65.0001 176.6456 86 K 4.0407 9.0298 126.0123 57.5787 31.8693 178.4775 87 S 4.9356 7.6406 113.7279 55.4565 65.3237 175.8102 88 V 3.3852 7.9599 123.1238 62.7361 31.8822 175.2879 89 T 4.7309 7.8183 115.8779 59.4062 71.8470 173.8646 90 D 4.6676 8.6377 119.4991 55.2729 39.5499 176.5257 91 E 4.3225 8.1603 119.7461 56.7649 29.5767 176.2599 92 C 4.8617 7.5470 115.8020 58.4974 29.7485 172.8246 93 F 5.0799 7.2042 118.1708 55.6184 41.7241 174.3796 94 F 5.3601 9.3144 121.1464 55.5452 43.6026 174.1130 95 F 4.8947 9.7770 123.1530 57.6417 39.8118 173.8415 96 E 4.9144 9.2524 126.0330 54.7137 31.1027 175.1508 97 R 4.6160 8.4346 126.2765 54.5200 34.0392 173.4865 98 L 4.9682 8.5645 128.3469 53.8267 42.5804 176.0717 99 E 4.3607 9.1457 127.2702 55.5699 30.2313 178.5321 100 S 4.2338 8.5859 115.1141 61.2243 62.9570 174.9915 101 N 4.5748 8.1444 116.0277 52.9678 37.4987 174.8899 102 N 4.3583 8.5273 115.7746 54.3996 36.5313 173.2431 103 Y 4.7852 8.1781 115.5018 56.5117 41.3974 174.5461 104 N 5.5797 9.7645 119.2381 52.2139 41.5837 174.3568 105 T 5.2150 8.4446 110.4286 60.2650 73.0319 172.5524 106 Y 4.8707 8.8286 119.9248 56.5772 41.2965 174.0666 107 R 5.0588 9.0428 125.7652 54.0459 32.6124 175.2435 108 S 4.3339 8.9150 121.4622 59.2353 62.7420 175.0347 109 R 3.7143 8.2656 127.7077 58.8808 29.9948 177.7249 110 K 3.7494 7.8826 119.2900 58.7548 32.7705 177.3538 111 Y 4.1676 7.2254 120.7483 55.8630 36.2094 176.5987 112 T 4.2817 7.7286 108.3985 62.3145 69.0045 175.5679 113 S 4.6028 7.6474 116.5890 58.1093 64.9156 173.8038 114 W 5.3722 7.7137 120.6316 55.5086 31.1830 174.7440 115 Y 5.4257 8.9994 120.7877 56.0762 40.4838 175.7691 116 V 4.0318 8.7700 122.4969 63.1495 32.2728 175.1606 117 A 5.1628 8.5835 127.1769 51.1987 22.6346 174.6013 118 L 5.1171 8.4949 121.0410 53.5159 45.1047 177.4919 119 K 4.4982 9.1672 127.9071 54.5139 33.3473 179.0590 120 R 4.1276 8.7388 118.2905 59.8466 29.4347 179.1825 121 T 4.1200 7.7062 105.2599 63.5209 69.3505 175.5070 122 G 2.5901 7.6410 108.8216 44.4197 0.0000 173.0171 123 Q 4.6606 7.3835 119.6594 54.1263 30.8812 175.0995 124 Y 4.7018 8.1500 120.1959 57.2220 39.1913 174.7815 125 K 4.6849 8.7231 121.2209 54.1071 34.6248 175.8432 126 L 4.1410 8.8587 126.7079 55.2172 42.3920 178.3105 127 G 3.8186 9.0635 113.4332 48.6857 0.0000 175.6188 128 S 2.9708 7.0117 115.1683 60.2858 63.0380 175.4873 129 K 4.4448 7.9286 122.0513 54.2713 31.7396 181.3323 130 T 5.4325 6.9994 108.8805 61.0283 70.9305 174.1487 131 G 4.3964 8.2859 109.7395 43.4887 0.0000 172.1961 132 P 3.9819 0.0000 0.0000 65.0368 31.1180 177.3858 133 G 3.9051 7.8271 104.8691 45.1995 0.0000 173.7171 134 Q 4.1626 7.6224 119.4979 55.3526 29.0643 177.1441 135 K 3.7828 8.3947 120.7413 58.6244 32.9661 178.8571 136 A 3.9670 7.8981 121.4031 54.0762 18.4628 178.2389 137 I 4.5673 7.4495 107.0926 60.7714 38.4757 175.1851 138 L 4.6802 7.2328 122.6110 54.0534 42.6739 175.7202 139 F 5.5494 9.6037 122.8102 55.5316 43.3105 174.1947 140 L 5.1554 9.6285 124.0600 52.5028 44.4504 173.8316 141 P 5.0755 0.0000 0.0000 63.3613 32.1173 175.6198 142 M 4.9974 9.3901 122.6025 52.9928 36.4966 174.8477 143 S 4.3868 8.7705 115.3534 58.3017 63.3332 173.3706 144 A 4.2806 8.6429 130.3766 52.5748 18.7765 178.2838 145 K 4.1797 7.8133 126.9139 56.7149 32.2567 178.0676 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 *16 H 8.29 4.83 0.00 2.85 3.03 0.00 7.16 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 17 F 9.10 4.26 0.00 3.25 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.70 3.96 0.00 1.40 1.70 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.98 0.21 7.81 19 D 7.46 4.52 0.00 2.81 2.56 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 20 P 0.00 4.67 0.00 2.04 2.03 0.00 3.71 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 1.96 1.97 0.00 21 K 9.24 4.83 0.00 1.65 1.79 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.44 7.81 22 R 9.14 5.08 0.00 1.70 1.69 0.00 2.21 0.00 0.00 2.54 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 23 L 8.59 5.14 0.00 1.64 1.74 0.43 0.84 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 24 Y 9.16 4.88 0.00 3.31 3.17 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 0.00 25 C 8.54 4.22 0.00 2.64 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 26 K 8.46 3.70 0.00 1.32 1.46 0.00 0.77 0.00 0.00 1.17 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.32 7.81 27 N 7.56 4.22 0.00 2.67 2.65 0.00 0.00 7.03 7.98 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 28 G 8.68 3.66 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 0.00 0.00 0.00 29 G 6.98 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 0.00 0.00 0.00 30 F 7.28 4.83 0.00 2.93 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 31 F 9.31 5.34 0.00 3.18 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 32 L 9.26 4.44 0.00 1.91 1.61 0.98 0.62 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 R 9.51 4.99 0.00 1.92 2.09 0.00 3.15 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 34 I 8.67 4.58 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.77 0.87 0.00 0.00 *35 H 8.85 4.28 0.00 2.85 2.94 0.00 7.22 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 36 P 0.00 4.22 0.00 1.99 2.14 0.00 3.48 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 37 D 7.99 4.53 0.00 2.78 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 38 G 8.52 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 39 R 7.36 4.56 0.00 1.87 1.88 0.00 3.07 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 40 V 8.18 4.95 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 0.93 0.00 0.00 0.92 0.00 0.00 41 D 8.51 4.67 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.56 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.61 4.91 2.18 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 0.91 0.00 0.00 1.05 0.00 0.00 44 R 9.05 3.76 0.00 1.88 2.03 0.00 3.14 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 45 E 8.38 4.18 0.00 1.89 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 2.31 1.87 0.00 46 K 8.86 4.03 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.01 7.81 47 S 8.04 4.39 0.00 3.96 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.14 4.42 0.00 2.64 2.63 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 49 P 0.00 4.47 0.00 1.98 2.12 0.00 3.70 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 1.77 1.91 0.00 50 H 8.08 4.82 0.00 3.22 3.51 0.00 5.58 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.19 4.51 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 1.06 0.00 0.00 52 K 7.77 4.26 0.00 1.80 1.69 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 53 L 9.09 5.18 0.00 1.59 1.44 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.86 4.76 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 55 L 8.59 5.06 0.00 1.65 1.67 0.93 0.84 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 56 Q 8.64 4.68 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 57 A 8.89 4.72 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 58 E 8.95 4.38 0.00 1.96 1.76 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 1.47 1.94 0.00 59 E 7.67 4.57 0.00 2.09 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 2.18 2.26 0.00 60 R 8.60 3.85 0.00 1.79 1.95 0.00 3.34 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 61 G 9.12 4.03 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 0.00 0.00 0.00 62 V 8.08 4.91 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 0.93 0.00 0.00 0.79 0.00 0.00 63 V 9.32 5.36 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 0.90 0.00 0.00 1.24 0.00 0.00 64 S 9.01 5.42 0.00 3.82 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 65 I 8.43 4.67 1.74 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.72 0.00 0.00 66 K 8.69 4.64 0.00 1.27 1.54 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.49 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.99 0.76 7.81 67 G 8.77 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 0.00 0.00 0.00 68 V 8.49 3.56 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.90 0.00 0.00 69 S 8.07 4.21 0.00 3.67 3.76 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 70 A 8.00 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.98 4.12 0.00 2.80 2.84 0.00 0.00 6.95 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 72 R 7.47 4.89 0.00 1.70 1.81 0.00 3.13 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 73 Y 8.96 4.95 0.00 2.84 2.79 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 74 L 9.04 4.56 0.00 1.73 1.64 0.83 0.58 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 75 A 9.29 5.25 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 76 M 8.65 5.21 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.72 0.00 77 K 9.16 4.58 0.00 1.94 1.73 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.53 7.81 78 E 8.67 3.16 0.00 1.98 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 0.00 2.23 1.88 0.00 79 D 7.99 4.55 0.00 2.72 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 80 G 8.49 3.48 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 0.00 81 R 8.09 4.40 0.00 1.53 1.81 0.00 3.25 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 82 L 6.66 5.08 0.00 0.74 1.35 0.85 0.94 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 83 L 8.56 4.63 0.00 1.89 1.72 0.94 0.58 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 84 A 8.60 5.30 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 9.35 4.67 0.00 3.88 4.01 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 86 K 9.03 4.04 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 S 7.64 4.94 0.00 3.58 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.39 1.82 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 0.66 0.00 0.00 -0.26 0.00 0.00 89 T 7.82 4.73 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 1.22 0.00 0.00 90 D 8.64 4.67 0.00 2.72 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 91 E 8.16 4.32 0.00 2.06 2.29 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 2.30 2.27 0.00 92 C 7.55 4.86 0.00 2.18 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 93 F 7.20 5.08 0.00 2.68 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 94 F 9.31 5.36 0.00 3.05 3.07 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 95 F 9.78 4.89 0.00 3.10 2.97 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 96 E 9.25 4.91 0.00 2.21 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 1.94 0.00 97 R 8.43 4.62 0.00 1.94 1.72 0.00 3.16 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 98 L 8.56 4.97 0.00 1.70 1.60 0.97 0.98 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 99 E 9.15 4.36 0.00 2.40 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 2.48 2.43 0.00 100 S 8.59 4.23 0.00 3.99 4.03 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 0.00 101 N 8.14 4.57 0.00 3.04 3.06 0.00 0.00 6.13 8.04 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 0.00 102 N 8.53 4.36 0.00 2.81 2.89 0.00 0.00 6.78 7.01 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 0.00 103 Y 8.18 4.79 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.76 5.58 0.00 3.05 2.59 0.00 0.00 6.86 5.12 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 0.00 105 T 8.44 5.21 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 106 Y 8.83 4.87 0.00 2.82 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 0.00 107 R 9.04 5.06 0.00 1.82 1.98 0.00 3.14 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.26 0.00 108 S 8.91 4.33 0.00 4.27 4.12 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 0.00 0.00 0.00 109 R 8.27 3.71 0.00 1.21 1.61 0.00 3.04 0.00 0.00 2.65 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 0.00 110 K 7.88 3.75 0.00 1.47 0.83 0.00 1.50 0.00 0.00 0.85 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.48 1.04 7.81 111 Y 7.23 4.17 0.00 2.85 1.77 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 0.00 112 T 7.73 4.28 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 1.28 0.00 0.00 113 S 7.65 4.60 0.00 3.68 3.99 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 0.00 114 W 7.71 5.37 0.00 3.43 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 0.00 115 Y 9.00 5.43 0.00 2.94 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 0.00 116 V 8.77 4.03 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 0.50 0.00 0.00 0.41 0.00 0.00 117 A 8.58 5.16 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 0.00 118 L 8.49 5.12 0.00 1.52 1.47 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.17 4.50 0.00 1.39 1.67 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.26 7.81 120 R 8.74 4.13 0.00 1.82 1.89 0.00 3.23 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 121 T 7.71 4.12 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 0.00 122 G 7.64 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 0.00 0.00 0.00 123 Q 7.38 4.66 0.00 1.70 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 124 Y 8.15 4.70 0.00 3.00 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 0.00 125 K 8.72 4.68 0.00 1.79 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 126 L 8.86 4.14 0.00 1.67 1.42 0.84 0.92 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 0.00 127 G 9.06 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 0.00 128 S 7.01 2.97 0.00 3.61 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 0.00 129 K 7.93 4.44 0.00 1.75 1.70 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.22 7.81 130 T 7.00 5.43 4.48 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 1.47 0.00 0.00 131 G 8.29 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 0.00 132 P 0.00 3.98 0.00 2.22 2.35 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 133 G 7.83 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 0.00 134 Q 7.62 4.16 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 135 K 8.39 3.78 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.25 7.81 136 A 7.90 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.45 4.57 1.80 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.85 0.00 0.00 138 L 7.23 4.68 0.00 1.23 1.22 0.67 0.90 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 0.00 139 F 9.60 5.55 0.00 3.32 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 0.00 140 L 9.63 5.16 0.00 2.01 1.78 0.71 0.81 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 0.00 141 P 0.00 5.08 0.00 2.23 2.21 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 142 M 9.39 5.00 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.49 0.00 143 S 8.77 4.39 0.00 3.88 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 0.00 144 A 8.64 4.28 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 0.00 145 K 7.81 4.18 0.00 1.94 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.