NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 D 4.5637 8.2227 120.1901 53.9248 42.6013 176.1550 19 I 3.4942 8.0881 125.8194 63.8630 37.7372 176.5376 20 Y 4.2798 8.6346 117.7892 60.8361 38.5071 177.4727 21 S 4.3169 7.8879 116.0823 61.6894 62.6142 176.6708 22 R 3.9456 7.8760 120.8607 59.4664 29.8479 178.5465 23 L 4.1217 8.4261 118.9777 57.3855 41.5001 179.1301 24 L 4.1558 7.9724 120.6254 57.6757 41.8141 178.5160 25 K 4.1780 7.8126 118.0768 58.1907 32.1986 177.1965 26 E 4.3956 7.9396 117.1434 55.2123 30.5638 174.9529 27 R 3.9683 8.4640 116.1243 58.4074 27.9644 175.7386 28 V 5.0067 7.8840 116.7045 61.2195 33.9353 174.9933 29 I 4.6653 9.0593 128.2925 59.4968 40.6676 174.2625 30 F 5.2922 8.8989 124.4694 55.6973 41.3644 174.8396 31 L 4.6784 9.7501 126.5237 53.7844 43.9443 175.3022 32 T 4.9211 8.6749 123.2074 63.9823 71.3507 174.6627 33 G 3.7898 9.0317 114.7478 43.7045 0.0000 171.4956 34 Q 4.1694 8.5229 116.5894 56.6999 29.3229 177.6614 35 V 3.8331 8.3996 124.8093 62.8711 32.5857 174.5514 36 E 4.9290 8.5761 127.4779 53.8523 33.8341 176.0347 37 D 4.3208 8.7375 120.7452 57.9619 40.7434 178.8598 38 H 4.4275 8.6981 116.7171 58.6051 28.7022 177.7991 39 M 4.0928 8.3069 118.6102 58.1584 31.1700 178.3952 40 A 3.9754 7.8300 122.0425 54.9042 18.4967 178.9324 41 N 4.2538 8.2694 115.6260 56.9404 39.0661 176.8103 42 L 3.9573 7.7804 121.6055 58.0082 42.1369 179.0359 43 I 3.6778 7.7347 119.8480 64.3760 37.0564 178.1632 44 V 3.6125 8.2403 119.2465 66.2302 31.2472 177.6300 45 A 4.0317 8.2433 120.2086 55.5409 18.1897 179.3081 46 Q 4.0670 8.0108 115.9417 59.6257 28.7690 179.6339 47 M 4.1053 8.2309 119.2057 58.4792 32.0447 178.8133 48 L 4.0290 8.2349 119.2903 57.7295 41.8212 179.4023 49 F 4.1365 8.8149 120.9056 61.2745 39.2830 177.0842 50 L 3.8003 8.7284 119.0436 57.7310 41.2358 178.9280 51 E 3.9275 8.2000 117.9413 59.4716 29.5861 178.2826 52 A 4.0436 7.9540 119.5923 55.2342 18.3790 179.3327 53 E 4.0285 7.5059 115.9155 57.8468 29.6983 177.3480 54 N 4.7250 7.8169 118.2242 51.6326 41.2371 172.2563 55 P 4.4477 0.0000 0.0000 63.8767 32.1304 176.4732 56 E 4.4457 8.1820 117.9006 57.2999 31.5088 176.9025 57 K 4.1905 8.0554 117.7896 56.0278 32.5364 177.2824 58 D 4.4932 8.7651 124.4644 54.9270 41.6455 175.7716 59 I 4.3402 8.2141 121.7395 59.7620 40.4089 174.4365 60 Y 4.9014 8.7165 123.0381 56.3114 40.7295 174.5174 61 L 5.0693 9.0704 128.3269 53.5789 44.0986 174.7025 62 Y 4.8448 9.2327 125.7706 57.2771 39.5493 174.6494 63 I 4.8710 9.0487 125.8678 59.6995 39.8265 175.1365 64 N 5.6913 9.5176 125.6759 52.1886 39.6873 172.1999 65 S 5.1054 9.0716 116.7070 55.2499 66.5631 172.1572 66 P 4.4275 0.0000 0.0000 62.7349 31.7374 176.4848 67 G 4.2061 9.3602 105.9948 47.0943 0.0000 172.3886 68 G 3.9707 7.5158 107.8230 45.1717 0.0000 173.9361 69 V 3.6744 8.7807 124.0453 62.7753 32.4203 177.4475 70 I 3.5934 8.4730 128.3818 64.6252 36.9415 178.5989 71 T 3.7863 7.8468 109.9348 64.9017 67.9800 176.0709 72 A 4.0920 7.9987 123.3780 54.7170 18.4443 179.7216 73 G 3.6008 7.9646 103.9784 48.1727 0.0000 175.9839 74 M 4.3881 8.2653 120.9924 58.0466 31.9234 179.0546 75 S 4.1514 7.9415 115.4405 61.5530 62.9923 176.5883 76 I 3.7163 7.4680 121.3850 64.6239 37.0435 177.5186 77 Y 4.0653 8.5577 120.5179 61.2508 38.7690 178.1590 78 D 4.5556 9.1934 119.8351 57.7167 40.9259 179.0724 79 T 4.0933 8.0396 116.3020 66.6243 68.1643 176.6655 80 M 4.0008 7.8615 120.0032 58.7078 32.1243 178.6482 81 Q 4.0407 7.5616 116.0920 58.3082 28.8805 178.2997 82 F 4.4212 7.9376 121.3166 60.1828 40.0584 176.0237 83 I 3.5457 7.0484 110.9682 60.3782 37.9887 175.9462 84 K 3.8963 8.3924 124.7105 59.0180 32.2324 175.9389 85 P 4.3784 0.0000 0.0000 62.7324 32.0930 176.1090 86 D 4.4258 8.5495 122.3311 54.2853 42.5376 175.4887 87 V 4.4199 8.1320 122.7875 61.2105 33.3495 174.4040 88 S 4.8363 8.8088 125.0594 58.1360 63.8574 172.7726 89 T 4.9905 8.5094 117.5274 60.2713 70.7484 173.1003 90 I 4.7148 8.1975 128.3944 59.6943 39.4204 174.3195 91 C 5.2501 9.0128 128.6156 58.0612 33.1564 172.1895 92 M 4.5303 8.8243 123.6183 55.3223 33.3684 173.6216 93 G 3.9003 10.4739 112.4146 45.2879 0.0000 172.4170 94 Q 5.2846 7.8138 112.5906 54.3689 33.4327 174.2720 95 A 4.8045 8.8504 122.2419 50.3901 21.7036 174.4540 96 A 5.1656 8.7202 123.4928 51.1576 22.7311 176.6068 97 S 3.3990 8.9053 115.8416 58.7080 65.2962 175.8044 98 M 4.1212 9.0204 120.1391 58.6047 31.2535 176.8320 99 G 3.5890 8.3367 105.8811 47.4870 0.0000 175.1709 100 A 4.0361 8.0192 123.3870 54.7143 18.3349 179.2874 101 F 3.9721 8.6880 119.0782 61.5896 39.2911 177.4226 102 L 4.2028 7.9440 117.0928 57.5010 41.7444 178.6786 103 L 4.0849 8.3481 120.8840 58.7900 41.9033 179.1891 104 T 4.3812 8.5229 113.5963 63.8267 67.0494 175.0996 105 A 3.7894 7.4855 120.7320 51.8306 18.7095 177.4107 106 G 3.8086 7.0311 104.5799 45.1232 0.0000 173.8828 107 A 4.0818 8.5013 122.2836 51.9471 19.2367 177.1868 108 K 3.7843 8.7544 123.6856 58.3850 32.2473 177.2863 109 G 3.9362 9.3420 114.1103 45.6784 0.0000 173.7388 110 K 4.6182 8.2779 118.5885 55.9341 34.4986 175.2585 111 R 4.8011 8.9829 121.9099 54.6690 31.7944 175.4881 112 F 5.4794 9.6672 122.6886 55.8159 43.2643 173.9378 113 C 5.2093 9.0702 118.1929 58.0565 31.9044 173.4778 114 L 4.7270 8.2900 121.5152 52.5704 42.6729 176.2048 115 P 4.2297 0.0000 0.0000 65.6733 31.3940 177.2360 116 N 4.8108 8.0133 112.2377 52.9798 38.6065 174.8860 117 S 4.9087 7.8907 114.6341 58.1857 64.8003 173.4761 118 R 4.9502 8.5648 115.6694 54.9340 32.8082 174.2629 119 V 4.9148 9.1083 122.0279 61.7423 34.5348 174.0190 120 M 4.7950 8.8690 124.5321 53.6590 36.1542 173.9456 121 I 4.4477 7.8354 117.7707 60.2460 39.6294 173.6691 122 H 4.8107 8.2456 122.3317 57.1355 31.8343 172.0427 123 Q 4.0830 7.9803 127.1733 56.7648 34.8882 175.6723 *137 I 4.2351 8.8085 116.1857 61.5539 38.7338 177.1537 138 H 4.2998 8.2177 115.3915 57.9718 28.7463 175.5750 139 C 4.5550 7.9078 118.2706 60.3638 33.2418 175.9104 140 R 3.9329 8.0292 118.6232 59.2997 29.7704 178.2160 141 E 3.9071 7.9581 118.6301 59.2082 29.4285 178.7297 142 I 3.6271 7.6643 118.1760 64.1949 38.2874 177.8313 143 L 4.0726 7.5930 119.4557 57.1473 41.3326 179.5649 144 K 3.8886 8.2942 120.4390 59.3840 32.2187 178.7543 145 V 3.4951 8.1496 118.9220 66.0035 31.5063 177.5211 146 K 3.9188 8.3502 119.8089 59.6780 31.9849 178.4846 147 G 3.5769 7.8893 105.0089 47.9148 0.0000 175.5011 148 R 4.2021 7.9727 123.0362 58.6246 29.9209 178.3631 149 M 4.0956 8.0440 118.3742 58.6068 32.0167 178.1064 150 N 4.3080 8.0461 116.1843 56.6898 38.2585 177.1927 151 E 3.9683 8.2437 119.3885 59.6449 29.6676 179.5663 152 L 4.1070 8.0421 118.8002 57.8356 41.6011 179.6779 153 M 3.9231 8.4657 118.8477 58.2821 31.9305 178.5567 154 A 3.9587 8.1067 120.8868 55.2229 18.3812 179.4534 155 L 3.9181 8.3555 117.7943 58.4105 42.1395 178.4439 156 H 4.4661 7.9714 115.5987 58.3827 28.9834 177.3480 157 T 4.4860 7.6443 112.6015 63.1426 69.1020 175.8217 158 G 3.9906 8.2184 107.5387 44.9322 0.0000 173.5325 159 Q 4.1711 7.4540 118.5479 54.9624 29.7865 176.2633 160 S 4.4999 8.1063 114.1124 57.6794 65.5398 175.0739 161 L 3.9621 8.4419 123.8136 58.1540 41.4005 179.3851 162 E 3.9142 8.2829 118.0242 59.8012 29.4133 179.4372 163 Q 3.9607 8.0308 118.9310 59.2578 29.2320 178.0072 164 I 3.8768 7.8049 120.8659 64.3260 37.1097 178.0256 165 E 3.9221 8.8429 119.7760 59.5300 29.3701 179.2362 166 R 3.8863 7.7591 117.9342 59.9370 29.9778 178.3311 167 D 4.5044 8.5557 117.2158 56.9786 41.1958 178.6075 168 T 4.2358 8.5181 111.2573 64.8375 68.7292 176.7655 169 E 4.1182 7.8426 120.1429 57.7410 29.6780 177.7857 170 R 4.0344 7.5016 119.6614 56.3735 30.6297 176.8407 171 D 4.5023 8.3095 127.0848 53.0331 39.4514 175.7881 172 R 4.3853 7.4134 122.6797 55.0837 32.3651 174.6584 173 F 4.9984 8.2850 115.3531 55.7765 43.4274 174.7054 174 L 5.5388 9.2961 120.1376 51.8502 45.4674 176.8917 175 S 4.6142 9.0553 118.2654 57.8994 64.4271 175.0245 176 A 4.0146 8.9904 122.2620 55.1448 17.9602 178.2358 177 P 4.2511 0.0000 0.0000 66.1114 31.5421 178.3285 178 E 4.0150 8.0135 117.2766 59.1925 29.3121 179.1982 179 A 4.1266 8.6481 121.0351 54.6633 18.3772 179.9205 180 V 3.9141 7.5138 118.4402 65.4774 31.4601 177.7880 181 E 3.9648 8.1102 118.0014 59.4760 29.5162 177.8395 182 Y 4.1001 7.9536 118.3583 58.6520 39.2857 176.4086 183 G 3.9832 8.2846 108.2683 44.9401 0.0000 175.0448 184 L 4.1440 8.1353 119.2201 56.5951 41.8048 177.2974 185 V 4.7752 7.5743 109.0741 59.6147 35.7692 176.1596 186 D 4.4112 8.6803 121.0747 56.8245 40.9816 177.1988 187 S 4.7029 7.4099 111.2086 56.7576 66.4242 172.0835 188 I 4.7312 8.3271 125.2892 60.5290 38.0910 175.3202 189 L 4.3628 9.6615 128.5314 54.6836 42.3145 177.5407 190 T 4.3330 8.6369 118.6898 64.8913 71.1986 174.1468 191 H 4.9383 7.7070 115.0519 53.7666 32.8428 173.2620 192 R 4.0034 8.4813 123.0198 56.3168 30.6290 176.1830 193 N 4.5304 8.5860 119.4124 53.7120 38.5058 175.0617 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 18 D 8.22 4.56 0.00 2.79 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 19 I 8.09 3.49 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.08 0.20 0.00 0.00 20 Y 8.63 4.28 0.00 3.22 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 21 S 7.89 4.32 0.00 3.83 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 22 R 7.88 3.95 0.00 2.09 2.05 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 23 L 8.43 4.12 0.00 2.12 1.90 1.02 0.64 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 24 L 7.97 4.16 0.00 2.11 1.85 1.09 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.81 4.18 0.00 1.87 2.01 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 26 E 7.94 4.40 0.00 2.03 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 0.00 2.24 2.39 0.00 27 R 8.46 3.97 0.00 2.26 2.07 0.00 3.16 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 28 V 7.88 5.01 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 0.54 0.00 0.00 1.04 0.00 0.00 29 I 9.06 4.67 1.88 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 1.48 0.62 0.99 0.00 0.00 30 F 8.90 5.29 0.00 2.90 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 31 L 9.75 4.68 0.00 1.73 1.62 0.99 -0.07 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 32 T 8.67 4.92 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 33 G 9.03 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 34 Q 8.52 4.17 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 35 V 8.40 3.83 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 0.74 0.00 0.00 0.96 0.00 0.00 36 E 8.58 4.93 0.00 1.99 1.73 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 2.24 2.26 0.00 37 D 8.74 4.32 0.00 2.57 2.49 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 38 H 8.70 4.43 0.00 3.33 3.34 0.00 5.64 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 39 M 8.31 4.09 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.64 0.00 40 A 7.83 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.27 4.25 0.00 2.95 2.98 0.00 0.00 6.88 6.12 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 42 L 7.78 3.96 0.00 1.89 1.80 0.91 1.15 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 43 I 7.73 3.68 2.05 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 1.44 0.88 0.95 0.00 0.00 44 V 8.24 3.61 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 1.14 0.00 0.00 1.04 0.00 0.00 45 A 8.24 4.03 1.43 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 0.00 0.00 0.00 46 Q 8.01 4.07 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 47 M 8.23 4.11 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 48 L 8.23 4.03 0.00 1.90 1.80 1.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.81 4.14 0.00 3.11 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 50 L 8.73 3.80 0.00 1.94 1.70 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.20 3.93 0.00 1.95 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 0.00 2.24 2.24 0.00 52 A 7.95 4.04 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 53 E 7.51 4.03 0.00 1.90 1.85 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 1.47 1.97 0.00 54 N 7.82 4.72 0.00 2.55 2.60 0.00 0.00 7.37 8.20 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 55 P 0.00 4.45 0.00 2.13 2.07 0.00 3.46 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 1.93 2.04 0.00 56 E 8.18 4.45 0.00 1.93 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 2.19 2.19 0.00 57 K 8.06 4.19 0.00 1.62 1.76 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 58 D 8.77 4.49 0.00 2.19 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 0.00 0.00 0.00 59 I 8.21 4.34 1.75 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 1.17 0.71 0.95 0.00 0.00 60 Y 8.72 4.90 0.00 3.01 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 61 L 9.07 5.07 0.00 1.69 1.52 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.23 4.84 0.00 2.87 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 9.05 4.87 1.94 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 1.19 0.74 0.99 0.00 0.00 64 N 9.52 5.69 0.00 2.97 2.74 0.00 0.00 6.20 7.67 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 65 S 9.07 5.11 0.00 3.97 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.43 0.00 2.26 2.17 0.00 3.93 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 1.99 1.99 0.00 67 G 9.36 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 0.00 0.00 0.00 0.00 68 G 7.52 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 69 V 8.78 3.67 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 0.94 0.00 0.00 0.91 0.00 0.00 70 I 8.47 3.59 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.08 0.77 0.00 0.00 71 T 7.85 3.79 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 1.17 0.00 0.00 72 A 8.00 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.96 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 74 M 8.27 4.39 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 75 S 7.94 4.15 0.00 4.05 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 76 I 7.47 3.72 2.10 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 1.65 0.94 0.97 0.00 0.00 77 Y 8.56 4.07 0.00 3.27 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 78 D 9.19 4.56 0.00 2.92 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 79 T 8.04 4.09 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 1.31 0.00 0.00 80 M 7.86 4.00 0.00 1.84 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 81 Q 7.56 4.04 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 82 F 7.94 4.42 0.00 3.01 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 83 I 7.05 3.55 1.76 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 0.62 1.00 0.00 0.00 84 K 8.39 3.90 0.00 1.60 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.32 7.81 85 P 0.00 4.38 0.00 1.87 2.09 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.18 0.00 86 D 8.55 4.43 0.00 2.72 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 87 V 8.13 4.42 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 0.90 0.00 0.00 0.85 0.00 0.00 88 S 8.81 4.84 0.00 3.88 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 89 T 8.51 4.99 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 1.24 0.00 0.00 90 I 8.20 4.71 0.94 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.28 0.80 0.00 0.00 91 C 9.01 5.25 0.00 3.04 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 92 M 8.82 4.53 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 93 G 10.47 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 94 Q 7.81 5.28 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 95 A 8.85 4.80 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 96 A 8.72 5.17 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 97 S 8.91 3.40 0.00 4.13 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 98 M 9.02 4.12 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 99 G 8.34 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 0.00 0.00 0.00 100 A 8.02 4.04 1.51 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 0.00 101 F 8.69 3.97 0.00 3.13 3.25 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 0.00 102 L 7.94 4.20 0.00 1.93 1.82 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.35 4.08 0.00 1.75 1.91 0.93 0.62 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 0.00 104 T 8.52 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 105 A 7.49 3.79 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 0.00 106 G 7.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.50 4.08 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 0.00 108 K 8.75 3.78 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 109 G 9.34 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.28 4.62 0.00 1.75 1.87 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.53 7.81 111 R 8.98 4.80 0.00 1.57 1.73 0.00 3.06 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 112 F 9.67 5.48 0.00 2.83 2.87 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 0.00 113 C 9.07 5.21 0.00 2.88 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 0.00 114 L 8.29 4.73 0.00 1.70 1.62 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.23 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 116 N 8.01 4.81 0.00 2.72 2.83 0.00 0.00 6.93 7.57 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 0.00 117 S 7.89 4.91 0.00 3.95 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 0.00 118 R 8.56 4.95 0.00 2.03 2.04 0.00 2.39 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 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0.00 140 R 8.03 3.93 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 141 E 7.96 3.91 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 142 I 7.66 3.63 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.23 0.96 0.00 0.00 143 L 7.59 4.07 0.00 1.85 1.69 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.29 3.89 0.00 1.89 1.89 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 145 V 8.15 3.50 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 0.85 0.00 0.00 0.91 0.00 0.00 146 K 8.35 3.92 0.00 1.99 2.01 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 147 G 7.89 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.97 4.20 0.00 1.92 2.05 0.00 3.20 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 149 M 8.04 4.10 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.79 0.00 150 N 8.05 4.31 0.00 2.96 2.92 0.00 0.00 7.14 7.33 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 0.00 151 E 8.24 3.97 0.00 2.23 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 2.47 0.00 152 L 8.04 4.11 0.00 1.97 1.72 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 153 M 8.47 3.92 0.00 2.08 2.41 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.78 0.00 154 A 8.11 3.96 1.44 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 0.00 155 L 8.36 3.92 0.00 1.67 1.89 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 156 H 7.97 4.47 0.00 3.27 3.35 0.00 5.70 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 0.00 157 T 7.64 4.49 4.37 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 1.33 0.00 0.00 158 G 8.22 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 0.00 0.00 0.00 159 Q 7.45 4.17 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 160 S 8.11 4.50 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 0.00 161 L 8.44 3.96 0.00 1.75 1.95 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.28 3.91 0.00 1.97 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 2.41 2.35 0.00 163 Q 8.03 3.96 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 164 I 7.80 3.88 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.39 1.03 0.00 0.00 165 E 8.84 3.92 0.00 2.20 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 2.45 0.00 166 R 7.76 3.89 0.00 1.96 2.15 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 167 D 8.56 4.50 0.00 2.80 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 0.00 168 T 8.52 4.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 169 E 7.84 4.12 0.00 1.97 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 2.35 2.46 0.00 170 R 7.50 4.03 0.00 1.80 2.05 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 171 D 8.31 4.50 0.00 2.61 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 0.00 0.00 0.00 0.00 172 R 7.41 4.39 0.00 1.71 1.75 0.00 3.19 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 173 F 8.28 5.00 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 9.30 5.54 0.00 1.52 1.59 0.56 1.04 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 0.00 175 S 9.06 4.61 0.00 3.92 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 0.00 176 A 8.99 4.01 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 0.00 177 P 0.00 4.25 0.00 2.30 2.34 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 178 E 8.01 4.02 0.00 2.37 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 2.36 0.00 179 A 8.65 4.13 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 0.00 180 V 7.51 3.91 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 1.34 0.00 0.00 1.02 0.00 0.00 181 E 8.11 3.96 0.00 2.05 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 0.00 2.39 2.35 0.00 182 Y 7.95 4.10 0.00 3.18 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 0.00 183 G 8.28 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 0.00 0.00 0.00 184 L 8.14 4.14 0.00 1.98 1.79 0.82 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.57 4.78 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 0.76 0.00 0.00 0.98 0.00 0.00 186 D 8.68 4.41 0.00 2.20 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.41 4.70 0.00 3.85 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 0.00 188 I 8.33 4.73 1.92 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 1.39 0.72 1.02 0.00 0.00 189 L 9.66 4.36 0.00 1.50 1.55 0.69 0.19 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 0.00 190 T 8.64 4.33 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 1.04 0.00 0.00 191 H 7.71 4.94 0.00 3.10 3.12 0.00 5.71 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 0.00 192 R 8.48 4.00 0.00 1.74 1.83 0.00 3.24 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 193 N 8.59 4.53 0.00 2.72 2.71 0.00 0.00 6.81 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 * Residues marked with a * may have inaccurate shift predictions.