NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5196 8.4249 119.1926 52.9978 41.0568 174.3409 3 Y 4.2433 7.7875 119.2882 58.4942 38.9186 175.6010 4 C 4.7006 8.8677 117.4279 57.1333 41.8534 173.3105 5 N 4.8263 7.8126 116.0173 52.7084 38.8506 174.3661 6 L 4.1289 7.7279 119.9486 54.5369 41.7971 177.7120 7 Q 4.0140 8.8753 124.2853 58.9790 28.3113 179.0094 8 S 4.1070 8.1446 115.0954 62.1155 63.1258 176.4000 9 C 4.3084 8.0881 121.1481 63.4097 28.0251 176.6482 10 K 3.9272 8.2443 127.1547 60.5961 30.9277 181.4483 11 R 4.0893 8.3085 117.7030 59.1758 29.3061 178.7599 12 N 4.6590 8.1809 114.5387 52.3706 38.7307 173.9343 13 N 4.0908 7.7487 113.1360 54.7511 38.0789 173.5457 14 A 4.7169 7.8054 116.8787 49.8850 21.9119 176.0830 15 I 4.1750 7.9967 121.3957 59.8632 39.3050 175.7540 16 H 4.4673 8.5349 126.6770 56.0675 31.7857 176.1221 17 T 3.9351 7.6518 123.5022 67.2609 68.1357 177.0954 18 M 4.1202 7.7592 118.8181 58.2792 32.0930 178.8814 19 C 4.4802 8.0504 117.8042 59.9095 43.9922 174.6745 20 Q 4.1508 8.2718 121.0265 57.7055 28.9871 175.9767 21 Y 4.3350 8.1813 128.1048 57.5187 36.9966 175.6920 22 T 4.3522 8.3416 114.2473 61.5155 69.8729 174.7694 23 S 4.7320 7.7850 117.6200 56.2128 63.6712 172.0581 24 P 4.4452 0.0000 0.0000 64.6216 31.7549 176.5254 25 T 4.1679 7.4081 110.2237 60.0866 69.5809 173.0044 26 P 4.2934 0.0000 0.0000 62.2764 32.2526 176.0089 27 G 3.8913 8.4668 109.6285 43.7635 0.0000 173.2301 28 P 4.4365 0.0000 0.0000 65.3643 31.3902 177.7627 29 M 3.9809 7.9254 118.0729 58.2167 32.4016 177.7761 30 C 3.9954 7.7407 118.5481 55.0498 36.9815 173.5926 31 L 4.0742 7.7811 124.1748 57.1388 42.8091 178.1479 32 E 3.9949 8.6071 115.5900 57.1932 26.3338 172.3960 33 Y 4.9432 7.2717 122.0651 56.3728 40.4276 175.2118 34 S 4.4390 9.5395 114.2398 57.9745 66.2898 173.6130 35 N 4.4007 8.7546 116.3820 54.5431 36.8591 174.3994 36 V 3.7531 7.7014 116.2041 63.7485 32.9261 177.1790 37 G 3.7418 8.3594 115.3276 44.9882 0.0000 172.6478 38 F 5.1237 8.2632 115.9764 54.9419 43.1809 175.2750 39 T 4.2346 9.4999 114.5408 61.6129 70.7740 175.6777 40 D 4.1355 8.5131 121.3152 57.0874 40.8284 178.5580 41 A 3.9195 8.0306 121.0528 55.6105 18.2612 179.4768 42 E 3.9369 7.8371 116.7495 59.2783 29.4990 179.7318 43 K 3.2693 7.5771 118.6293 59.1834 31.8963 179.1626 44 D 4.2573 7.9094 119.0462 56.9230 40.6756 178.2950 45 A 3.9451 7.7554 121.4906 55.4971 18.4554 179.8818 46 I 3.6912 7.5907 117.8933 64.4623 37.2439 178.9094 47 V 3.6975 7.8257 119.0683 66.1803 31.3387 177.6688 48 N 4.3525 8.7131 116.5281 56.3266 38.3669 177.4767 49 K 3.9256 8.0987 119.7067 59.8357 32.1967 179.0694 50 H 4.2183 8.1995 115.9357 59.0140 28.5715 177.7086 51 N 4.3761 8.3860 118.1877 56.2315 38.3302 176.9839 52 E 4.1071 8.3718 120.2907 59.6593 29.6378 179.5219 53 L 3.7153 7.8913 118.3559 57.8054 41.6252 179.7536 54 R 3.9744 8.5878 120.6174 60.1248 30.0420 179.6825 55 Q 3.9825 8.7914 121.2700 60.1953 28.1481 180.2207 56 R 4.0687 8.1158 120.9487 59.5254 30.0931 178.6400 57 V 3.6580 7.9656 117.4037 66.1002 31.5003 177.8042 58 A 3.8144 8.3011 121.0408 54.7780 17.9601 178.7632 59 S 4.4857 8.0509 109.9883 58.0823 63.4628 174.6398 60 G 3.9373 7.8497 110.1352 46.8894 0.0000 174.9102 61 K 4.3003 7.7965 120.2597 56.9001 33.4892 177.1334 62 E 4.1349 8.1778 120.7674 56.3901 29.7747 176.1657 63 M 4.5442 8.7352 123.9747 55.2880 33.2056 175.1532 64 R 4.4377 8.5758 115.5360 55.2111 32.0246 174.6729 65 G 4.0565 8.5477 107.1448 44.1217 0.0000 174.2556 66 T 3.7323 8.0781 121.7459 66.2376 68.5294 174.8596 67 N 4.5247 7.6014 115.9399 53.2100 38.9357 173.0419 68 G 3.7178 7.6329 102.7560 43.0872 0.0000 172.1168 69 P 4.5142 0.0000 0.0000 62.1719 31.7874 175.6014 70 Q 4.6492 8.3599 119.6644 54.6240 29.2790 174.4922 71 P 4.7840 0.0000 0.0000 61.7405 32.8155 174.2499 72 P 4.8813 0.0000 0.0000 62.8521 32.9426 174.5819 73 A 5.2555 8.2510 122.6901 50.4169 20.6762 177.2492 74 V 3.7448 9.3455 125.0382 66.0762 31.8936 177.2135 75 K 4.6674 7.8576 119.5915 52.9830 34.8146 178.1765 76 M 4.7084 8.0871 122.5139 52.9710 32.9413 171.7369 77 P 4.4529 0.0000 0.0000 61.5151 32.5883 176.9697 78 N 4.5272 8.5746 118.2598 53.7731 39.0738 174.6659 79 L 4.6552 9.1528 123.1867 54.7871 42.7368 176.4694 80 T 4.7595 8.4723 113.0463 59.3882 71.6846 173.5427 81 W 4.6963 8.8325 133.7525 57.6061 31.9693 174.7386 82 D 4.8031 8.2447 126.2366 51.2703 42.9924 174.5163 83 P 4.4074 0.0000 0.0000 65.7094 31.4111 177.9439 84 E 3.9292 8.2234 118.7446 59.2499 29.6932 178.3475 85 L 3.8814 8.4127 118.7994 57.8182 41.7314 179.3861 86 A 3.8836 7.8052 120.6389 55.5751 18.4799 179.9228 87 T 4.1645 8.2633 108.2376 64.7848 68.7074 176.9067 88 I 3.7360 7.8206 122.7949 63.8909 37.0521 178.1240 89 A 4.0030 8.5365 122.1056 55.2848 18.2606 179.5412 90 Q 3.8517 8.7058 118.4338 59.0560 28.8346 178.4185 91 R 3.8387 7.6757 118.9656 59.1761 30.5611 178.0788 92 W 4.3942 8.0492 128.0783 60.2426 30.7408 177.8002 93 A 3.4287 8.0931 121.1085 54.8465 17.7470 178.7247 94 N 4.3553 8.0092 112.5247 54.6103 38.4757 176.2585 95 Q 4.0459 7.5169 119.1585 54.6460 29.3972 174.8228 96 C 4.4798 7.5891 116.3696 57.9324 38.4516 173.2999 97 T 4.3131 6.5903 108.4916 59.5321 69.4215 174.3476 98 F 4.0366 8.6007 129.8345 57.1624 37.5715 173.4324 99 E 4.6221 7.6775 122.8549 55.5431 31.6012 175.8708 100 H 4.8145 8.8815 116.0254 54.7560 29.4324 175.4630 101 D 3.4778 7.6999 121.4300 52.0095 40.2364 176.4570 102 A 3.9693 7.9439 123.2015 55.1634 18.9315 177.7927 103 C 4.6072 7.2338 113.5667 58.5634 34.3584 173.9520 104 R 4.3213 8.1494 119.9125 55.8007 30.1605 174.6990 105 N 4.6701 8.1220 115.7779 53.7539 39.5459 173.7440 106 V 4.6810 8.0792 114.4383 59.8514 35.5491 177.5958 107 E 4.0392 8.7117 116.4574 59.2753 29.5748 177.7415 108 R 3.8959 7.4961 117.0746 58.6585 30.3580 176.2825 109 F 4.6374 6.7412 108.4391 55.4886 40.8908 172.9042 110 A 4.3137 8.3323 123.1857 52.2432 19.5160 176.4292 111 V 4.6557 8.3565 119.8067 61.1301 34.1363 176.0522 112 G 3.9119 9.0353 115.5540 45.8680 0.0000 171.7706 113 Q 5.2759 7.9928 118.3658 55.0453 32.2025 172.6858 114 N 4.7647 9.5578 123.3068 51.3186 41.9288 173.4992 115 I 5.2094 8.3533 121.7371 59.8862 40.9639 174.6156 116 A 5.4179 9.7622 125.8737 51.1938 23.0295 175.0430 117 A 5.4967 8.7970 121.0782 50.8769 22.4867 175.7151 118 T 4.7444 9.1028 110.6219 60.1412 72.7012 173.0063 119 S 5.7573 8.6880 117.7889 56.4866 66.6834 173.3359 120 S 4.6277 8.3587 113.1343 57.3987 65.9064 174.4096 121 S 2.8119 7.4409 118.4580 59.4303 61.9681 172.9202 122 G 3.6514 8.5174 117.3736 45.6472 0.0000 171.3795 *124 N 4.5857 7.7021 118.4874 53.2577 40.5396 176.0582 125 K 4.6465 8.4427 126.6125 53.2439 32.1780 172.7525 126 S 4.8815 7.9301 114.7754 56.1655 65.7290 175.6059 127 T 4.3458 8.3846 115.7005 60.2472 71.1511 173.9384 128 P 4.2306 0.0000 0.0000 66.0672 31.3349 178.4000 129 N 4.2325 8.2697 114.5890 56.5308 38.4750 176.8197 130 E 3.9141 7.9777 119.0990 59.9776 29.6400 179.5367 131 M 3.9066 7.5562 118.4678 58.1775 31.8030 179.0508 132 I 3.2298 7.8128 120.5296 64.1182 37.2850 178.2997 133 L 4.0663 8.1019 120.0747 57.9243 41.1670 179.6780 134 L 4.1380 7.5005 117.7262 57.2430 41.9365 179.1237 135 W 4.7697 8.1185 119.1384 60.3245 29.1137 177.9266 136 Y 4.4244 8.7080 119.4521 60.6942 38.3929 177.2007 137 N 4.4998 8.6908 117.2845 55.4911 38.9453 176.1077 138 E 4.1759 8.2421 119.5737 59.2234 29.6337 179.0702 139 V 3.0020 7.5911 121.9129 64.4910 30.8744 178.9259 140 K 3.9825 7.6009 123.8637 59.2557 31.4627 182.2139 141 D 5.0117 7.9316 116.6213 53.9661 41.1936 175.9435 142 F 4.8779 7.8070 122.2104 56.8716 40.8710 173.8904 143 D 4.3432 6.0500 125.1054 52.0367 42.8175 176.4133 144 N 4.1484 8.4445 124.4602 56.7138 38.4618 177.1463 145 R 4.0079 7.6201 116.7488 57.7167 30.1476 177.9335 146 W 4.8609 7.2306 117.5352 57.0415 29.6042 177.9459 147 I 4.0129 7.8412 121.9313 64.5268 36.5012 178.3847 148 S 3.7881 8.0237 114.0546 60.4355 63.4366 173.7416 149 S 5.0260 7.7362 115.0650 55.9332 65.2398 173.9518 150 F 4.4730 9.9062 129.2873 57.7158 40.1262 172.9866 151 P 4.3459 0.0000 0.0000 62.5842 31.4369 176.7600 152 S 4.2362 8.4347 117.5511 60.7266 63.5926 175.5188 153 D 4.2895 7.6759 119.5604 54.7450 42.5871 176.1563 154 D 4.3859 8.4797 124.3553 56.5212 41.6856 178.0256 155 N 4.2539 8.0157 116.7571 56.5764 38.5240 177.3463 156 I 3.4811 7.3747 120.2199 64.2226 37.3313 177.7196 157 L 3.9665 7.4175 120.7288 58.7797 41.4795 179.0203 158 M 4.1652 7.8902 117.4887 57.9373 32.1332 178.2847 159 K 4.2587 7.8826 119.0529 58.8127 32.7586 177.7368 160 V 4.7685 8.1591 108.8122 60.1098 33.9320 177.5380 161 G 3.7920 8.4402 109.0049 45.9393 0.0000 175.8838 162 H 4.2490 8.3493 119.3624 57.9716 28.9558 177.0426 163 Y 4.1596 9.1020 122.0261 61.0093 38.1795 178.1702 164 T 3.5349 8.0232 110.7248 64.7358 68.6097 176.0701 165 Q 3.5805 7.7592 122.0668 58.7700 28.7457 178.1370 166 I 3.6691 7.0151 119.3294 64.0576 37.1964 177.9905 167 V 4.4492 6.8374 109.9094 59.9154 32.4665 176.2040 168 W 4.2566 7.7820 130.7574 56.4259 29.7752 176.3950 169 A 3.9690 8.2399 130.0692 55.3415 17.7881 179.2736 170 K 4.1250 7.6860 112.7433 59.3612 32.4160 178.0516 171 T 4.0701 8.1449 116.5403 63.8699 68.8570 174.1083 172 T 4.7358 8.3446 113.0867 60.8728 71.2781 173.1622 173 K 5.1508 8.6003 122.4983 54.7697 36.3097 175.0424 174 I 4.5887 8.5459 123.9552 59.1455 41.8913 174.5989 175 G 3.3558 8.5305 115.4280 45.0479 0.0000 171.1754 176 C 5.5785 7.8358 122.4203 55.1495 45.2846 173.3014 177 G 4.5513 9.1693 106.3645 45.3526 0.0000 171.5744 178 R 5.4606 9.2816 119.5402 55.7832 34.0131 173.5146 179 I 5.0889 8.1668 122.8235 60.0054 42.1226 173.0792 180 M 5.5055 8.7727 125.5069 53.8672 35.4976 174.7641 181 F 5.3235 8.3616 117.1993 56.4148 41.9170 173.8639 182 K 4.7281 8.8185 125.1635 55.1063 32.0617 178.1730 183 E 4.6226 8.9165 124.0736 53.7611 30.8002 175.8685 184 P 4.4519 0.0000 0.0000 65.2917 31.3999 176.9758 185 D 4.7521 8.1005 115.6854 52.7904 39.4124 177.2530 186 N 4.4293 8.7725 115.7221 53.8233 37.6507 174.7185 187 W 4.2930 8.2275 118.2863 57.0199 30.9309 175.2723 188 T 4.5155 9.3260 120.6366 62.3589 69.5608 173.8030 189 K 4.6714 8.4321 128.7847 55.0351 34.6137 174.6855 190 H 5.1773 9.0767 126.2519 54.7230 32.8095 171.2501 191 Y 5.5395 9.0920 128.3566 55.8144 41.1685 173.8936 192 L 5.2269 9.7036 128.9501 53.3147 45.2785 175.2190 193 V 5.0120 8.6878 119.0652 59.7815 35.1371 173.7847 194 C 5.1142 9.6477 123.0371 55.1906 41.1508 172.6174 195 N 5.3912 8.9197 121.4951 51.8325 40.7654 173.6215 196 Y 5.0296 8.5467 119.8941 56.1576 41.9222 174.9773 197 G 3.8813 9.0894 109.7370 43.4684 0.0000 170.4968 198 P 4.2394 0.0000 0.0000 61.7853 32.4476 175.9904 199 A 3.7862 8.4190 124.0071 52.5269 17.4520 178.4133 200 G 2.0187 8.4191 112.0480 45.3391 0.0000 173.1367 201 N 2.0000 5.7700 112.7622 53.1688 36.1817 174.9493 202 V 3.4843 5.8344 116.3289 62.1405 31.3952 174.3129 203 L 4.4732 8.5187 128.6968 58.9662 40.9542 175.6622 204 G 3.8994 8.8957 116.4754 45.7874 0.0000 172.8304 205 A 4.5173 8.5892 122.1961 50.8981 19.6678 175.6260 206 P 4.7541 0.0000 0.0000 62.4335 32.0715 176.7910 207 I 2.2323 8.9914 124.1501 63.9286 37.9857 175.2883 208 Y 4.7403 6.7423 116.1009 55.8911 41.3255 173.3304 209 E 4.2839 8.7392 120.5535 54.9471 30.8627 175.0906 210 I 4.4506 8.3208 128.6847 61.2771 37.3475 176.0726 211 K 4.2174 9.0418 132.0210 56.8130 32.8493 176.9352 212 K 4.6095 8.3417 126.6174 52.7562 34.2956 175.8651 213 H 4.5345 8.3967 119.7894 54.9332 29.1822 175.0685 214 H 4.2099 8.6597 123.2842 56.2939 30.3277 176.0739 215 H 4.2852 8.2702 123.1241 58.3918 28.7224 175.9072 216 H 4.7634 7.9456 114.4281 55.5268 29.2605 173.1992 217 H 4.5957 7.8816 120.0927 55.2015 29.0629 174.6814 218 H 4.5776 8.6178 122.9067 55.8167 28.8216 175.2214 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 2 N 8.42 4.52 0.00 2.55 2.64 0.00 0.00 7.01 6.66 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 3 Y 7.79 4.24 0.00 3.04 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 4 C 8.87 4.70 0.00 2.96 3.12 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 5 N 7.81 4.83 0.00 2.62 2.76 0.00 0.00 7.03 7.85 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 6 L 7.73 4.13 0.00 1.69 1.63 0.93 0.85 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 7 Q 8.88 4.01 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 8 S 8.14 4.11 0.00 3.84 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 9 C 8.09 4.31 0.00 3.11 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.24 3.93 0.00 1.76 1.84 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.10 7.81 11 R 8.31 4.09 0.00 1.77 1.89 0.00 3.23 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 12 N 8.18 4.66 0.00 2.74 2.89 0.00 0.00 7.41 7.31 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 13 N 7.75 4.09 0.00 2.81 2.77 0.00 0.00 6.81 7.31 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 14 A 7.81 4.72 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.00 4.18 1.82 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 1.22 0.72 0.91 0.00 0.00 16 H 8.53 4.47 0.00 3.26 3.14 0.00 5.73 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 17 T 7.65 3.94 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 1.33 0.00 0.00 18 M 7.76 4.12 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 19 C 8.05 4.48 0.00 3.05 3.30 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 20 Q 8.27 4.15 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 21 Y 8.18 4.33 0.00 3.20 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 22 T 8.34 4.35 4.28 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 1.28 0.00 0.00 23 S 7.78 4.73 0.00 3.88 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 24 P 0.00 4.45 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 25 T 7.41 4.17 4.26 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 1.23 0.00 0.00 26 P 0.00 4.29 0.00 1.70 1.66 0.00 3.51 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.53 0.00 27 G 8.47 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 0.00 0.00 0.00 28 P 0.00 4.44 0.00 2.18 2.20 0.00 3.76 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 1.97 1.99 0.00 29 M 7.93 3.98 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 30 C 7.74 4.00 0.00 2.79 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 31 L 7.78 4.07 0.00 2.04 1.66 1.16 1.08 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 32 E 8.61 3.99 0.00 2.06 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 2.16 1.85 0.00 33 Y 7.27 4.94 0.00 3.26 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 34 S 9.54 4.44 0.00 3.95 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 35 N 8.75 4.40 0.00 2.83 2.90 0.00 0.00 6.91 7.71 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 36 V 7.70 3.75 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 0.78 0.00 0.00 0.98 0.00 0.00 37 G 8.36 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 38 F 8.26 5.12 0.00 2.93 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 39 T 9.50 4.23 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 1.27 0.00 0.00 40 D 8.51 4.14 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 41 A 8.03 3.92 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 42 E 7.84 3.94 0.00 2.24 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 2.39 2.38 0.00 43 K 7.58 3.27 0.00 1.31 0.74 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.30 1.16 7.81 44 D 7.91 4.26 0.00 2.77 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 45 A 7.76 3.95 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 46 I 7.59 3.69 2.04 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.05 1.08 0.00 0.00 47 V 7.83 3.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.26 0.00 0.00 48 N 8.71 4.35 0.00 2.77 2.86 0.00 0.00 7.09 8.15 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 49 K 8.10 3.93 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 50 H 8.20 4.22 0.00 3.54 3.48 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.39 4.38 0.00 2.77 3.00 0.00 0.00 7.04 7.05 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 52 E 8.37 4.11 0.00 2.19 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 2.32 2.47 0.00 53 L 7.89 3.72 0.00 1.79 1.48 0.83 -0.26 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 54 R 8.59 3.97 0.00 2.01 1.97 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 55 Q 8.79 3.98 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 56 R 8.12 4.07 0.00 1.85 2.23 0.00 3.04 0.00 0.00 3.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 57 V 7.97 3.66 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.29 0.00 0.00 58 A 8.30 3.81 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 59 S 8.05 4.49 0.00 4.04 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 60 G 7.85 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 61 K 7.80 4.30 0.00 1.94 1.90 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.51 7.81 62 E 8.18 4.13 0.00 2.24 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 2.47 2.41 0.00 63 M 8.74 4.54 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 64 R 8.58 4.44 0.00 1.90 1.81 0.00 3.26 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 65 G 8.55 4.06 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 0.00 0.00 0.00 66 T 8.08 3.73 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 1.13 0.00 0.00 67 N 7.60 4.52 0.00 2.40 2.56 0.00 0.00 7.18 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 68 G 7.63 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 0.00 0.00 0.00 69 P 0.00 4.51 0.00 2.23 2.18 0.00 3.36 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 70 Q 8.36 4.65 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 71 P 0.00 4.78 0.00 2.18 2.12 0.00 4.01 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 72 P 0.00 4.88 0.00 2.13 2.21 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 73 A 8.25 5.26 0.85 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 74 V 9.35 3.74 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 0.77 0.00 0.00 0.98 0.00 0.00 75 K 7.86 4.67 0.00 1.76 1.51 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.95 7.81 76 M 8.09 4.71 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 77 P 0.00 4.45 0.00 2.22 2.03 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 78 N 8.57 4.53 0.00 2.75 2.83 0.00 0.00 7.03 7.85 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 79 L 9.15 4.66 0.00 1.53 1.61 1.05 0.89 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 80 T 8.47 4.76 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 1.25 0.00 0.00 81 W 8.83 4.70 0.00 3.44 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 82 D 8.24 4.80 0.00 2.68 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.41 0.00 2.41 2.50 0.00 3.80 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 2.14 2.12 0.00 84 E 8.22 3.93 0.00 2.09 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 2.49 2.52 0.00 85 L 8.41 3.88 0.00 1.64 1.54 0.86 1.13 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 86 A 7.81 3.88 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 87 T 8.26 4.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 88 I 7.82 3.74 1.93 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 1.22 1.01 0.76 0.00 0.00 89 A 8.54 4.00 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 90 Q 8.71 3.85 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 91 R 7.68 3.84 0.00 1.99 1.97 0.00 3.41 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 92 W 8.05 4.39 0.00 3.26 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 93 A 8.09 3.43 1.13 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 0.00 0.00 94 N 8.01 4.36 0.00 2.78 2.66 0.00 0.00 6.92 7.35 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 95 Q 7.52 4.05 0.00 1.24 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.20 0.00 0.00 0.00 0.00 0.00 2.03 1.35 0.00 96 C 7.59 4.48 0.00 2.51 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 0.00 0.00 0.00 97 T 6.59 4.31 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 1.12 0.00 0.00 98 F 8.60 4.04 0.00 2.78 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.68 4.62 0.00 2.16 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 2.24 2.63 0.00 100 H 8.88 4.81 0.00 3.12 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.70 3.48 0.00 1.85 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.97 1.18 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 0.00 0.00 103 C 7.23 4.61 0.00 2.84 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 0.00 104 R 8.15 4.32 0.00 1.73 1.89 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 105 N 8.12 4.67 0.00 2.75 2.85 0.00 0.00 6.85 7.68 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 0.00 106 V 8.08 4.68 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 1.05 0.00 0.00 0.68 0.00 0.00 107 E 8.71 4.04 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 1.92 0.00 108 R 7.50 3.90 0.00 0.67 1.24 0.00 3.05 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 109 F 6.74 4.64 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.31 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 0.00 111 V 8.36 4.66 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 0.80 0.00 0.00 1.22 0.00 0.00 112 G 9.04 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 0.00 113 Q 7.99 5.28 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 114 N 9.56 4.76 0.00 1.83 1.42 0.00 0.00 6.57 7.30 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 0.00 115 I 8.35 5.21 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.53 0.00 0.00 116 A 9.76 5.42 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 0.00 117 A 8.80 5.50 1.18 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 0.00 0.00 118 T 9.10 4.74 4.26 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 1.25 0.00 0.00 119 S 8.69 5.76 0.00 3.75 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 0.00 120 S 8.36 4.63 0.00 3.74 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 0.00 121 S 7.44 2.81 0.00 3.16 3.28 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 0.00 122 G 8.52 3.65 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 0.00 0.00 0.00 *124 N 7.70 4.59 0.00 2.68 2.73 0.00 0.00 7.01 6.68 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 0.00 125 K 8.44 4.65 0.00 1.77 1.57 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 0.95 7.81 126 S 7.93 4.88 0.00 4.02 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 0.00 127 T 8.38 4.35 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 1.20 0.00 0.00 128 P 0.00 4.23 0.00 2.20 2.23 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 129 N 8.27 4.23 0.00 2.78 2.86 0.00 0.00 7.12 7.66 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 0.00 130 E 7.98 3.91 0.00 2.28 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 2.32 2.34 0.00 131 M 7.56 3.91 0.00 1.58 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 132 I 7.81 3.23 1.89 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 1.52 0.31 0.92 0.00 0.00 133 L 8.10 4.07 0.00 1.85 1.77 0.93 0.90 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 0.00 134 L 7.50 4.14 0.00 1.75 1.79 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 135 W 8.12 4.77 0.00 3.84 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 0.00 136 Y 8.71 4.42 0.00 3.27 3.29 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 0.00 137 N 8.69 4.50 0.00 3.21 2.89 0.00 0.00 7.13 7.27 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 0.00 138 E 8.24 4.18 0.00 2.29 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 0.00 2.52 2.60 0.00 139 V 7.59 3.00 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 0.38 0.00 0.00 0.14 0.00 0.00 140 K 7.60 3.98 0.00 1.92 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 141 D 7.93 5.01 0.00 2.88 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 0.00 142 F 7.81 4.88 0.00 3.03 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 0.00 143 D 6.05 4.34 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.15 0.00 2.58 2.79 0.00 0.00 7.15 7.66 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 0.00 145 R 7.62 4.01 0.00 1.47 1.87 0.00 3.06 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 146 W 7.23 4.86 0.00 3.32 3.08 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 0.00 147 I 7.84 4.01 1.80 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 1.72 1.31 0.07 0.00 0.00 148 S 8.02 3.79 0.00 3.96 4.07 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 0.00 149 S 7.74 5.03 0.00 4.05 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 0.00 150 F 9.91 4.47 0.00 3.57 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 0.00 151 P 0.00 4.35 0.00 1.29 1.52 0.00 2.33 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.60 0.00 152 S 8.43 4.24 0.00 3.79 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 7.68 4.29 0.00 2.53 2.27 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 0.00 154 D 8.48 4.39 0.00 2.74 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 0.00 155 N 8.02 4.25 0.00 2.82 2.85 0.00 0.00 6.95 7.82 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 0.00 156 I 7.37 3.48 1.49 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 1.02 0.35 -0.23 0.00 0.00 157 L 7.42 3.97 0.00 1.71 1.98 1.09 1.42 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 0.00 158 M 7.89 4.17 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 159 K 7.88 4.26 0.00 1.96 1.92 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.57 7.81 160 V 8.16 4.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.33 0.00 0.00 161 G 8.44 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 0.00 162 H 8.35 4.25 0.00 3.68 3.24 0.00 6.10 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 0.00 163 Y 9.10 4.16 0.00 2.97 3.13 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 0.00 164 T 8.02 3.53 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 1.57 0.00 0.00 165 Q 7.76 3.58 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00 166 I 7.02 3.67 2.08 0.00 0.00 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 1.79 0.87 1.09 0.00 0.00 167 V 6.84 4.45 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 0.60 0.00 0.00 0.38 0.00 0.00 168 W 7.78 4.26 0.00 3.40 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 0.00 169 A 8.24 3.97 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 0.00 170 K 7.69 4.12 0.00 2.03 1.99 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.44 7.81 171 T 8.14 4.07 4.46 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 1.32 0.00 0.00 172 T 8.34 4.74 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 1.27 0.00 0.00 173 K 8.60 5.15 0.00 1.64 1.65 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.60 7.81 174 I 8.55 4.59 1.64 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.81 0.87 0.00 0.00 175 G 8.53 3.36 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 0.00 176 C 7.84 5.58 0.00 3.03 3.30 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 0.00 177 G 9.17 4.55 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 0.00 0.00 0.00 178 R 9.28 5.46 0.00 1.79 0.96 0.00 3.08 0.00 0.00 3.14 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 179 I 8.17 5.09 1.84 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 1.18 0.00 0.00 180 M 8.77 5.51 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 181 F 8.36 5.32 0.00 3.36 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 0.00 182 K 8.82 4.73 0.00 1.59 1.66 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 183 E 8.92 4.62 0.00 2.27 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 2.52 2.53 0.00 184 P 0.00 4.45 0.00 2.09 2.22 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 185 D 8.10 4.75 0.00 2.84 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 0.00 186 N 8.77 4.43 0.00 2.95 3.05 0.00 0.00 6.90 7.50 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 0.00 187 W 8.23 4.29 0.00 3.51 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.33 4.52 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 189 K 8.43 4.67 0.00 1.52 0.74 0.00 1.41 0.00 0.00 1.40 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 1.18 7.81 190 H 9.08 5.18 0.00 3.23 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Y 9.09 5.54 0.00 3.14 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 0.00 192 L 9.70 5.23 0.00 1.81 1.63 1.25 0.67 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 0.00 193 V 8.69 5.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 1.00 0.00 0.00 194 C 9.65 5.11 0.00 2.97 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 0.00 195 N 8.92 5.39 0.00 2.55 2.59 0.00 0.00 6.39 7.51 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 0.00 196 Y 8.55 5.03 0.00 2.66 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 0.00 197 G 9.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.24 0.00 1.96 1.83 0.00 3.72 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 199 A 8.42 3.79 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 G 8.42 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 0.00 0.00 0.00 201 N 5.77 2.00 0.00 2.16 2.23 0.00 0.00 6.71 7.68 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 0.00 202 V 5.83 3.48 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 1.10 0.00 0.00 0.81 0.00 0.00 203 L 8.52 4.47 0.00 1.73 1.74 0.93 1.08 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 0.00 204 G 8.90 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 0.00 205 A 8.59 4.52 1.52 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 0.00 0.00 206 P 0.00 4.75 0.00 1.88 2.09 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 207 I 8.99 2.23 1.61 0.00 0.00 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 1.55 0.83 0.92 0.00 0.00 208 Y 6.74 4.74 0.00 2.78 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 0.00 209 E 8.74 4.28 0.00 2.07 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 2.33 2.31 0.00 210 I 8.32 4.45 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.93 0.00 0.00 211 K 9.04 4.22 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.38 7.81 212 K 8.34 4.61 0.00 1.79 1.54 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 0.99 7.81 213 H 8.40 4.53 0.00 3.15 3.23 0.00 5.67 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 0.00 214 H 8.66 4.21 0.00 3.20 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 H 8.27 4.29 0.00 2.70 3.08 0.00 5.69 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 0.00 216 H 7.95 4.76 0.00 3.25 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 H 7.88 4.60 0.00 3.15 3.26 0.00 5.92 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 H 8.62 4.58 0.00 3.13 3.22 0.00 5.98 0.00 0.00 0.00 0.00 6.91 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.