NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1892 8.3044 120.3489 55.9627 33.3790 172.3598 2 E 3.4589 8.5504 126.1359 55.6141 27.1090 172.7319 3 D 4.3941 9.1093 127.5741 56.8317 41.8596 177.6547 4 E 3.9520 8.0884 118.7356 59.5071 29.5806 179.1667 5 I 3.6899 7.7060 119.2635 64.3764 37.1689 178.2943 6 R 3.8715 7.7432 119.6210 59.3016 29.9347 178.4707 7 K 4.1800 8.5376 120.6205 58.9064 32.2185 178.5984 8 A 3.9952 8.4405 121.2749 55.2055 18.3281 179.5105 9 A 3.9881 8.2118 119.3056 55.1502 18.1173 179.7419 10 E 3.9048 8.3189 117.2624 59.5970 29.4637 179.5757 11 I 3.7857 7.7607 119.6863 64.3771 37.2235 178.5270 12 L 4.1378 8.2457 120.7101 57.4025 41.3239 179.3847 13 A 4.3204 8.3976 121.9437 55.2445 18.2873 179.4302 14 K 4.3287 7.5987 119.6485 56.0770 32.8052 180.8739 15 S 5.0785 8.0254 116.4316 58.4909 64.6519 175.4987 16 K 4.6301 8.8549 122.1553 54.8846 33.8546 176.5662 17 H 4.9967 8.5885 117.8168 56.0835 29.9719 172.4319 18 A 4.9747 8.9078 123.8525 51.2879 21.0719 177.9216 19 V 4.7904 8.8329 120.4501 60.9710 35.2116 174.4660 20 V 4.5520 8.3183 126.1534 60.9729 34.1977 173.6925 21 F 5.2296 9.0343 130.9663 56.6000 41.5957 174.3326 22 T 5.4289 7.3940 115.6397 58.9177 72.3480 173.2618 23 G 4.6404 8.1540 109.5169 44.1306 0.0000 172.8722 24 A 4.2937 8.3284 120.6410 54.3298 18.0322 180.2894 25 G 3.6708 8.2750 104.8248 48.2403 0.0000 175.5006 26 I 3.7644 7.6713 119.2570 62.9941 38.2971 176.4155 27 S 4.6485 7.7910 114.4443 58.1566 62.7798 175.7596 28 A 4.3451 7.5799 124.4369 54.6309 18.4203 179.2263 29 E 4.4607 8.1536 113.2713 56.9163 29.6064 177.5565 30 S 4.5723 7.8630 114.6226 58.0554 63.8593 174.9612 31 G 4.0062 7.8631 108.0794 45.1655 0.0000 173.9144 32 I 4.2627 7.5231 121.4090 58.2062 37.3225 173.2816 33 P 4.3325 0.0000 0.0000 62.8037 31.7196 177.1894 34 T 4.2043 8.1966 119.3573 63.4341 69.8439 174.7780 *35 F 3.9064 8.7603 122.1490 60.7152 37.8267 171.8233 36 R 3.6938 8.8285 124.5406 55.6050 25.0003 177.2186 37 G 4.1322 7.6132 120.9466 41.2579 0.0000 173.6238 38 E 3.9504 8.2480 118.8989 56.4736 29.7211 179.5322 39 D 4.6801 8.4679 117.7789 56.1661 40.3518 181.8768 40 G 3.6711 8.0575 108.9133 48.0010 0.0000 175.1232 41 L 3.8911 7.3821 122.2914 57.9525 41.9544 178.2408 42 W 5.5559 7.6859 117.4631 57.1960 28.8765 177.6134 43 R 4.4839 8.4563 118.8218 57.2937 29.8926 182.1736 44 K 4.1421 8.1342 115.1763 58.3279 32.3635 176.6251 45 Y 4.8254 7.9169 114.6747 55.4618 41.5490 174.4120 46 D 4.7879 8.6916 122.1091 52.9565 41.9189 175.0375 47 P 3.6434 0.0000 0.0000 66.0016 30.3432 177.8292 48 E 3.8483 8.0086 118.5392 58.7803 29.3018 178.4351 49 E 4.1216 8.0578 116.1181 58.3117 30.5510 178.0653 50 V 4.3557 7.8092 111.2543 61.2080 32.3262 176.8746 51 A 5.0265 8.1340 120.8031 50.8234 20.3313 175.2580 52 S 5.3405 7.8614 113.1411 57.5793 67.2222 174.4905 53 I 3.6183 8.3152 122.9173 64.2152 37.6317 178.4343 54 S 4.2217 8.1043 113.8389 61.3846 62.4073 176.2324 55 G 3.7659 8.3896 110.0533 47.0648 0.0000 175.4983 56 F 4.0741 8.1885 122.3149 61.2234 39.5651 177.3111 57 K 4.3757 8.1678 116.5863 59.0384 31.8450 178.9937 58 R 4.4131 7.7214 118.4230 58.1510 30.9303 175.9184 59 N 4.5181 8.2027 116.6991 50.8955 40.6489 172.2826 60 P 3.5886 0.0000 0.0000 65.2942 31.3792 178.1092 61 R 4.1268 7.9839 115.9775 59.2170 29.9504 178.6452 62 A 4.0882 7.9119 120.0925 55.1878 18.3765 179.4523 63 F 4.6810 8.1968 119.8496 60.9672 39.5928 177.2405 64 W 4.3212 8.3427 118.2341 59.9522 28.8831 178.4882 65 E 4.1252 9.0822 119.0680 59.1201 28.7450 179.1234 66 F 4.0999 8.3903 120.9560 61.4481 38.9603 177.4491 67 S 3.7060 8.0000 114.8564 61.6273 62.4266 176.6173 68 M 3.9743 8.3751 121.6039 58.3339 31.4135 178.6771 69 E 4.0721 8.0348 117.9672 58.6102 29.6061 178.2845 70 M 4.5473 7.1232 118.9636 56.0858 32.7278 177.9796 71 K 3.7496 7.4460 120.3643 55.5856 33.1936 184.5733 72 D 4.7438 7.9665 121.8417 53.9741 37.2175 177.6196 73 K 4.4344 8.6158 120.5728 56.0098 32.2739 174.1133 74 L 4.6071 8.6908 123.5504 54.1516 43.0677 177.2500 75 F 4.7751 8.0630 115.7719 56.6611 39.5863 175.4358 76 A 4.2242 8.1241 122.7591 52.6774 18.6851 177.5943 77 E 4.8226 8.2760 118.6834 53.2446 32.9869 174.5923 78 P 4.0060 0.0000 0.0000 63.0343 31.9632 175.8292 79 N 5.0459 8.3368 117.4918 50.6217 41.0992 173.4740 80 P 4.4465 0.0000 0.0000 65.9533 31.1992 178.6066 81 A 3.9539 8.7032 119.7705 55.5881 18.4158 179.3156 82 H 3.9818 8.1494 114.1300 59.2867 28.6685 177.5641 83 Y 4.1733 7.7695 117.7826 60.9106 37.7048 178.0723 84 A 4.0599 8.4682 122.1499 55.4492 18.3147 179.8270 85 I 3.7047 7.8264 117.9018 64.3200 37.1126 178.5782 86 A 4.0198 7.8994 121.3956 54.9358 18.1922 179.2529 87 E 3.9129 8.6610 118.3803 59.5190 29.7126 179.1077 88 L 4.0401 8.0249 119.0073 57.5636 41.5121 179.2135 89 E 4.4314 7.7653 120.8712 58.9297 29.4163 179.0611 90 R 3.9447 7.7954 116.9175 59.2849 30.1850 178.1207 91 M 4.3862 7.7942 115.9579 55.2413 32.0619 177.0251 92 G 3.9034 7.9534 107.4784 46.2350 0.0000 174.5645 93 I 4.1587 7.7780 120.9634 62.9582 38.8010 175.8533 94 V 4.4437 7.6146 121.8573 62.3778 32.2141 175.8100 95 K 4.5873 8.9328 126.3063 56.5652 33.9133 176.0610 96 A 4.6823 7.5155 119.7373 50.8043 22.8246 175.1156 97 V 4.6506 8.6319 120.5439 61.0896 34.4919 174.2874 98 I 4.8580 8.7790 129.1492 59.8880 39.4776 174.7151 99 T 4.5554 8.6998 120.6566 60.5668 70.9140 173.8867 100 Q 4.3242 8.0576 123.0970 56.0315 29.5051 176.0296 101 N 4.6709 8.1800 117.9306 52.7018 40.1390 175.7518 102 I 4.5201 8.1719 113.4574 60.7387 38.1372 176.6005 103 D 4.3958 7.9553 119.8358 54.1143 40.0750 176.3703 104 M 3.6801 7.9818 117.7938 55.5854 29.6813 178.6052 105 L 3.9325 8.2108 121.6945 57.7481 41.5068 179.0830 106 H 4.1473 7.9498 116.2007 58.8208 28.7261 177.6310 107 Q 4.1638 7.9422 119.3479 59.1404 28.5120 178.7948 108 R 4.0097 7.6757 116.8113 58.4917 30.1252 177.9413 109 A 4.3797 7.1604 118.4812 51.4968 19.1736 177.4975 110 G 4.0492 8.0918 104.9088 45.2466 0.0000 174.9491 111 S 4.4082 7.9520 117.1651 58.8595 63.0851 174.6484 112 R 4.1232 9.5880 124.7048 57.2505 30.5733 176.2613 113 R 4.4902 7.8229 116.9935 54.3688 32.5111 174.2816 114 V 4.7128 8.2976 125.9651 61.0470 34.3535 174.5549 115 L 4.4531 9.0763 129.1552 53.4953 43.0750 176.0335 116 E 4.6935 8.6015 125.5198 54.8665 29.3047 177.4736 117 L 4.0763 8.7771 126.1604 57.1405 42.1484 178.4101 118 H 4.8426 8.2179 114.2347 55.1323 29.5787 175.5343 119 G 4.0758 9.0017 109.0015 46.1566 0.0000 173.0885 120 S 4.5755 7.6132 111.9766 58.1654 65.9581 174.5751 121 M 4.1849 8.1257 120.0849 55.6967 32.0188 177.9255 122 D 4.6838 8.0841 120.3624 55.7321 41.3427 176.8545 123 K 5.3821 7.9736 117.8363 53.9007 36.8405 174.8331 124 L 5.4307 9.4529 121.2425 53.2508 46.2132 175.3117 125 D 5.4284 9.0407 120.3344 52.6721 44.9632 174.6435 126 C 4.9413 9.2076 124.2919 59.2390 32.1025 174.3052 127 L 4.2165 9.6032 127.0615 57.4120 41.3587 178.3289 128 D 4.4781 8.3915 118.2187 56.2084 41.3784 177.0512 129 C 4.4291 7.8852 109.4367 57.5690 30.5943 173.8542 130 H 4.3015 8.1237 116.4507 56.2824 26.5176 174.4357 131 E 4.2063 7.9532 121.2855 56.4119 30.6485 175.4782 132 T 5.1174 8.0832 115.1415 60.2281 71.5519 172.6450 133 Y 5.0884 9.0586 120.2995 56.5292 42.9287 174.0047 134 D 5.2537 8.9339 120.5734 53.1139 42.4927 177.9267 135 W 4.7595 9.2145 132.0086 60.7899 30.3983 178.5202 136 S 4.0572 8.1744 112.6766 60.7814 62.4575 175.3972 137 E 3.9765 8.0687 121.1395 57.4634 29.6075 177.4053 138 F 4.6649 7.4636 116.2700 57.0355 40.8191 177.4071 139 V 2.7215 6.8603 112.0680 64.6068 31.0462 178.0902 140 E 4.0634 7.9889 117.1098 59.5943 29.3433 179.0872 141 D 4.3563 7.9812 118.4588 57.3428 40.8761 178.4540 142 F 4.5553 8.5382 122.9548 60.7886 39.2015 176.6008 143 N 4.3932 8.5884 118.0420 56.0898 38.8174 176.5143 144 K 4.4550 7.4435 123.2501 56.3082 32.0908 182.2557 145 G 3.8700 7.9078 107.1213 46.4212 0.0000 173.0811 146 E 4.3391 8.2793 121.8460 54.0323 29.8345 175.6618 147 I 3.8477 8.2883 128.3637 60.2807 37.6782 174.3995 148 P 3.9908 0.0000 0.0000 62.8124 31.3415 175.8255 149 R 4.4862 7.9138 119.7154 53.8582 33.7506 174.7937 150 C 4.3001 8.9542 122.1340 59.6000 31.9911 174.8882 151 R 4.1343 8.5869 128.1406 58.6137 30.1988 178.4668 152 K 4.3739 8.3147 118.6724 55.7917 32.3532 182.3014 153 C 4.7362 8.1388 110.5084 57.1005 31.0861 174.8888 154 G 3.8444 8.2266 108.4683 45.4360 0.0000 173.7808 155 S 4.4264 7.7634 114.1382 58.6410 63.0142 173.6752 156 Y 4.5001 8.8222 122.0900 58.3079 38.6007 176.5294 157 Y 4.5069 8.3157 120.2600 56.8432 36.3440 176.3768 158 V 4.8365 7.9280 118.6005 61.4889 32.9066 175.1794 159 K 4.1576 9.1909 131.2303 54.2169 33.3375 174.3494 160 P 4.6766 0.0000 0.0000 61.8981 32.6137 176.7222 161 R 4.2300 7.9475 120.0930 56.3155 29.2183 176.1803 162 V 4.7390 6.8115 109.9813 59.1281 35.5990 177.4869 163 V 3.8586 8.2562 123.5536 62.9745 31.8106 175.5877 164 L 4.5201 10.0126 128.0743 52.3770 45.0930 176.1441 165 F 4.3389 8.2803 119.3685 59.1301 39.2420 177.0890 166 G 4.0525 9.2596 112.3650 44.8890 0.0000 173.1811 167 E 4.7261 7.3279 117.1013 53.3159 31.9669 174.2603 168 P 4.5198 0.0000 0.0000 62.2735 32.2569 176.0832 169 L 4.1557 8.1750 119.2026 53.5933 42.2807 176.0713 170 P 4.3214 0.0000 0.0000 63.0739 31.7161 177.0789 171 Q 4.0548 8.6929 123.0195 59.3334 28.8424 179.2750 172 R 4.1604 8.0016 118.2134 59.3683 30.0212 179.2904 173 T 3.9486 7.8625 115.2695 66.4917 68.6323 176.3796 174 L 4.0163 8.2354 122.5253 58.1702 42.0780 178.7418 175 F 4.1339 8.8397 120.8788 61.5225 39.3356 177.0135 176 E 3.9764 8.3979 117.9518 59.2315 29.2388 179.1778 177 A 4.0267 8.4079 121.3160 55.2856 18.4874 179.8074 178 I 3.6081 7.9253 118.4467 64.4125 37.0287 178.2697 179 E 3.7485 7.9402 120.2113 59.0409 29.0197 178.4277 180 E 3.6671 8.1946 119.2265 59.2872 29.8006 178.8006 181 A 4.0809 8.0623 120.5679 54.8227 18.1444 179.5044 182 K 4.1006 7.7175 116.3145 58.1739 32.2688 177.4512 183 H 4.8748 7.4335 112.4116 54.8823 29.1576 173.7036 184 C 4.6410 7.7081 115.1258 58.5117 30.4672 172.9657 185 D 4.9666 8.6456 118.4790 53.5679 41.0860 175.7609 186 A 5.1810 7.8343 121.3640 50.5195 23.0660 174.5823 187 F 5.0947 9.7632 124.8915 56.6204 42.5604 173.1713 188 M 5.2345 8.6831 126.7957 53.7447 34.8727 174.2713 189 V 4.8100 8.9362 126.3820 61.3921 34.2592 174.6327 190 V 4.6008 8.6100 127.3040 61.1991 34.7172 175.5608 191 G 3.8681 9.0164 118.6799 46.6923 0.0000 172.7506 192 S 4.9392 8.1473 112.0098 56.1384 65.6010 173.7861 193 S 4.3274 8.8920 120.5788 58.6637 63.5450 173.6996 194 L 3.6825 7.5245 120.0250 55.9558 39.5678 175.7089 195 V 4.0174 8.0281 118.1044 63.9473 32.7030 175.7352 196 V 4.5770 7.3800 117.7595 60.3940 34.2267 173.8125 197 Y 4.3511 8.6320 126.4154 57.4121 39.3363 175.0557 198 P 3.1039 0.0000 0.0000 63.8283 31.5412 178.0020 199 A 3.3750 8.2329 120.1555 55.4500 18.2533 179.0618 200 A 4.2105 7.7873 117.4982 54.5207 18.6774 178.5510 201 E 4.4142 8.0161 117.3367 57.9239 30.2866 177.7641 202 L 3.7517 7.6446 118.7314 57.4981 41.5577 177.5193 203 P 3.4293 0.0000 0.0000 65.6508 31.2604 178.2945 204 Y 3.7901 7.6350 114.8693 60.6691 37.8406 178.4069 205 I 3.6407 7.5321 120.8040 64.2843 37.3616 178.2939 206 A 4.4401 7.6095 123.1821 54.2722 18.0598 179.4949 207 K 3.6452 7.9352 118.5088 59.6313 32.0532 178.9604 208 K 3.9147 7.8189 118.0772 59.2996 32.1868 178.0399 209 A 4.1819 7.5730 119.1387 53.0701 18.4123 178.1558 210 G 3.8408 7.7838 105.4253 44.6227 0.0000 173.8026 211 A 4.4334 7.3783 120.6571 51.4026 19.4208 178.1507 212 K 4.3552 8.8021 119.4316 56.5988 33.8515 176.1041 213 M 5.4440 9.8553 123.3662 53.7558 35.0380 174.9285 214 I 5.3003 9.1311 123.5975 59.6013 41.6029 174.3425 215 I 4.7602 8.3580 124.9406 59.1449 41.7250 173.9564 216 V 4.6785 8.8440 128.6656 61.3041 34.1415 173.6285 217 N 5.2332 8.8253 125.4697 52.0970 42.2974 175.2362 218 A 4.2079 8.7039 125.8716 54.4856 18.9318 177.7591 219 E 4.7371 7.6632 113.3456 53.6626 33.6078 173.3132 220 P 4.6633 0.0000 0.0000 62.6876 32.0752 175.2328 221 T 4.7603 8.6799 108.0957 59.8496 71.7737 174.6800 222 M 4.1755 8.7039 120.8169 57.6502 32.6110 176.6415 223 A 4.5207 7.9121 120.5791 53.1255 19.7478 178.6594 224 D 4.6727 8.1957 117.0862 57.4021 40.6793 177.3819 225 P 4.3105 0.0000 0.0000 65.2125 31.3630 177.5777 226 I 4.0098 7.4502 109.2762 60.2555 38.2824 175.6729 227 F 4.4246 7.6638 120.6872 56.9300 39.7108 175.6232 228 D 4.6190 8.7752 125.7376 56.7629 41.5387 177.1813 229 V 4.6811 7.8947 117.3566 60.7631 35.2613 174.4733 230 K 4.9887 8.7023 125.4951 55.2017 35.4129 175.3408 231 I 4.5563 8.7030 124.9033 59.4116 40.6300 174.3370 232 I 4.6526 8.8150 127.7400 59.1874 38.2900 175.7874 233 G 3.9965 7.7159 113.7393 46.1234 0.0000 171.2682 234 K 4.3695 7.8632 118.9844 55.2934 33.2538 177.8727 235 A 4.0444 8.9140 126.1290 55.4486 18.1444 180.0187 236 G 4.1506 8.6630 103.8456 46.5264 0.0000 174.7205 237 E 4.4229 7.7678 119.6543 58.2531 30.6539 178.3057 238 V 3.5274 8.0717 118.5057 65.9144 31.6708 177.7240 239 L 3.9453 8.0268 119.1744 57.5749 41.5591 178.0135 240 P 4.3379 0.0000 0.0000 65.6431 31.1418 178.5859 241 K 3.9842 7.5994 118.5670 59.3699 31.8744 179.3215 242 I 3.7008 7.7348 120.1312 64.2404 36.9575 178.6392 243 V 3.6186 7.9824 121.4966 66.6538 31.4205 178.3041 244 E 3.9781 8.2419 118.0541 61.3839 29.5274 180.6192 245 E 4.1522 8.2042 120.5008 58.9611 29.6398 179.0876 246 V 3.6046 8.0124 118.5993 65.9146 31.6149 178.1373 247 K 3.9507 8.4358 118.6883 59.4835 31.6579 179.2890 248 R 3.9072 7.8610 117.9177 59.4372 30.0775 178.2807 249 L 4.1444 7.8220 117.8515 57.8588 41.6641 179.4418 250 R 4.1400 8.1798 119.7945 58.6143 31.3201 179.0682 251 S 4.7433 7.5442 122.3903 57.6740 59.2375 177.8601 252 E 4.8476 7.6076 123.2403 56.8331 30.4222 178.0494 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 1 M 8.30 4.19 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 E 8.55 3.46 0.00 2.33 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 2.26 2.45 0.00 3 D 9.11 4.39 0.00 2.73 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 4 E 8.09 3.95 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 5 I 7.71 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.91 0.00 0.00 6 R 7.74 3.87 0.00 1.83 2.05 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 7 K 8.54 4.18 0.00 2.07 1.80 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 A 8.44 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 9 A 8.21 3.99 1.47 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 10 E 8.32 3.90 0.00 2.18 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 2.34 2.67 0.00 11 I 7.76 3.79 2.04 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 1.54 1.57 0.94 0.00 0.00 12 L 8.25 4.14 0.00 1.71 1.72 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.40 4.32 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 14 K 7.60 4.33 0.00 1.83 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.30 7.81 15 S 8.03 5.08 0.00 4.26 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 16 K 8.85 4.63 0.00 1.76 1.69 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.20 7.81 17 H 8.59 5.00 0.00 3.27 3.29 0.00 5.74 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 18 A 8.91 4.97 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 19 V 8.83 4.79 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 1.07 0.00 0.00 1.04 0.00 0.00 20 V 8.32 4.55 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.95 0.00 2.09 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 0.00 2.19 1.86 0.00 39 D 8.47 4.68 0.00 2.58 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.06 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.38 3.89 0.00 1.46 1.27 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 42 W 7.69 5.56 0.00 3.48 3.10 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 0.00 0.00 0.00 0.00 43 R 8.46 4.48 0.00 1.77 1.83 0.00 3.26 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 44 K 8.13 4.14 0.00 1.52 1.23 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 45 Y 7.92 4.83 0.00 3.14 2.84 0.00 0.00 0.00 0.00 0.00 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1.50 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 0.00 0.00 63 F 8.20 4.68 0.00 3.25 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.34 4.32 0.00 3.68 3.40 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 65 E 9.08 4.13 0.00 2.21 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 2.41 2.52 0.00 66 F 8.39 4.10 0.00 2.93 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 67 S 8.00 3.71 0.00 4.11 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 68 M 8.38 3.97 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 1.26 0.00 69 E 8.03 4.07 0.00 2.10 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 0.00 2.41 2.57 0.00 70 M 7.12 4.55 0.00 1.63 1.51 0.00 0.00 0.00 0.00 0.00 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0.00 2.11 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 2.32 2.41 0.00 88 L 8.02 4.04 0.00 1.92 1.70 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.77 4.43 0.00 1.99 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 2.30 2.37 0.00 90 R 7.80 3.94 0.00 2.04 1.99 0.00 3.22 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 91 M 7.79 4.39 0.00 2.01 2.24 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 2.76 2.55 0.00 92 G 7.95 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 93 I 7.78 4.16 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.98 0.00 0.00 94 V 7.61 4.44 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 0.98 0.00 0.00 0.90 0.00 0.00 95 K 8.93 4.59 0.00 1.38 1.64 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.04 7.81 96 A 7.52 4.68 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 97 V 8.63 4.65 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 0.51 0.00 0.00 0.80 0.00 0.00 98 I 8.78 4.86 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 1.08 0.00 0.00 99 T 8.70 4.56 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 1.16 0.00 0.00 100 Q 8.06 4.32 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.70 0.00 0.00 0.00 0.00 0.00 2.07 2.29 0.00 101 N 8.18 4.67 0.00 2.59 2.67 0.00 0.00 6.45 6.93 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 0.00 102 I 8.17 4.52 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.90 0.00 0.00 103 D 7.96 4.40 0.00 2.75 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 0.00 104 M 7.98 3.68 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 105 L 8.21 3.93 0.00 1.34 1.13 0.87 0.94 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 0.00 106 H 7.95 4.15 0.00 3.13 3.29 0.00 5.62 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 0.00 107 Q 7.94 4.16 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 108 R 7.68 4.01 0.00 1.73 1.99 0.00 3.16 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 109 A 7.16 4.38 0.92 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 0.00 0.00 110 G 8.09 4.05 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 0.00 0.00 0.00 111 S 7.95 4.41 0.00 3.93 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 0.00 112 R 9.59 4.12 0.00 1.75 1.98 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 113 R 7.82 4.49 0.00 1.95 1.75 0.00 3.04 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 114 V 8.30 4.71 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 0.82 0.00 0.00 0.90 0.00 0.00 115 L 9.08 4.45 0.00 1.59 1.62 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.60 4.69 0.00 1.90 2.07 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 2.31 2.30 0.00 117 L 8.78 4.08 0.00 1.58 1.78 1.07 0.96 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 0.00 118 H 8.22 4.84 0.00 3.22 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 9.00 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 0.00 0.00 0.00 120 S 7.61 4.58 0.00 3.91 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 0.00 121 M 8.13 4.18 0.00 1.25 1.79 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 122 D 8.08 4.68 0.00 2.76 2.92 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 0.00 123 K 7.97 5.38 0.00 1.73 1.83 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.49 7.81 124 L 9.45 5.43 0.00 1.95 1.77 1.45 1.51 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 0.00 125 D 9.04 5.43 0.00 2.61 2.60 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 0.00 126 C 9.21 4.94 0.00 3.28 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 0.00 127 L 9.60 4.22 0.00 1.88 1.78 1.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.39 4.48 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 C 7.89 4.43 0.00 3.07 3.03 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 0.00 130 H 8.12 4.30 0.00 3.41 3.51 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.95 4.21 0.00 2.08 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 0.00 2.13 1.47 0.00 132 T 8.08 5.12 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 1.26 0.00 0.00 133 Y 9.06 5.09 0.00 3.31 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 0.00 134 D 8.93 5.25 0.00 2.70 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 0.00 135 W 9.21 4.76 0.00 3.47 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 0.00 136 S 8.17 4.06 0.00 4.04 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 0.00 137 E 8.07 3.98 0.00 1.16 1.56 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 2.22 2.46 0.00 138 F 7.46 4.66 0.00 2.57 2.62 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 0.00 139 V 6.86 2.72 1.83 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 -0.08 0.00 0.00 0.66 0.00 0.00 140 E 7.99 4.06 0.00 1.99 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 2.55 2.51 0.00 141 D 7.98 4.36 0.00 2.74 2.72 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 0.00 142 F 8.54 4.56 0.00 2.93 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 0.00 143 N 8.59 4.39 0.00 3.08 3.04 0.00 0.00 7.07 7.46 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 0.00 144 K 7.44 4.46 0.00 1.87 1.67 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.31 7.81 145 G 7.91 3.87 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 0.00 0.00 0.00 146 E 8.28 4.34 0.00 1.99 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 2.24 2.27 0.00 147 I 8.29 3.85 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 0.88 0.00 0.00 148 P 0.00 3.99 0.00 0.67 0.84 0.00 2.56 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 149 R 7.91 4.49 0.00 1.56 1.48 0.00 2.84 0.00 0.00 2.90 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 150 C 8.95 4.30 0.00 3.05 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 0.00 151 R 8.59 4.13 0.00 1.99 2.01 0.00 2.98 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 152 K 8.31 4.37 0.00 1.77 1.71 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 0.98 7.81 153 C 8.14 4.74 0.00 3.06 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 0.00 154 G 8.23 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 0.00 155 S 7.76 4.43 0.00 4.04 3.87 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 0.00 156 Y 8.82 4.50 0.00 2.74 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 0.00 157 Y 8.32 4.51 0.00 3.07 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 0.00 158 V 7.93 4.84 2.07 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 0.84 0.00 0.00 0.94 0.00 0.00 159 K 9.19 4.16 0.00 1.51 1.54 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.43 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.86 0.21 7.81 160 P 0.00 4.68 0.00 1.90 1.96 0.00 3.02 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 161 R 7.95 4.23 0.00 1.89 1.90 0.00 3.07 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 162 V 6.81 4.74 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 0.57 0.00 0.00 0.73 0.00 0.00 163 V 8.26 3.86 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 0.66 0.00 0.00 0.94 0.00 0.00 164 L 10.01 4.52 0.00 1.51 1.57 0.39 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 165 F 8.28 4.34 0.00 3.02 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 0.00 166 G 9.26 4.05 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 0.00 0.00 0.00 167 E 7.33 4.73 0.00 1.97 1.87 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 2.33 2.14 0.00 168 P 0.00 4.52 0.00 2.22 2.11 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 169 L 8.17 4.16 0.00 1.77 1.74 1.14 1.17 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 0.00 170 P 0.00 4.32 0.00 2.29 2.24 0.00 3.86 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 2.12 2.08 0.00 171 Q 8.69 4.05 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.93 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 172 R 8.00 4.16 0.00 1.87 2.01 0.00 3.08 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 173 T 7.86 3.95 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 1.30 0.00 0.00 174 L 8.24 4.02 0.00 1.92 1.96 0.94 1.42 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 0.00 175 F 8.84 4.13 0.00 3.26 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 0.00 176 E 8.40 3.98 0.00 2.42 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 0.00 2.43 2.49 0.00 177 A 8.41 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 7.93 3.61 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.83 0.00 0.00 179 E 7.94 3.75 0.00 1.74 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 2.27 2.34 0.00 180 E 8.19 3.67 0.00 2.29 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 2.35 2.44 0.00 181 A 8.06 4.08 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 0.00 182 K 7.72 4.10 0.00 1.83 1.83 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.50 7.81 183 H 7.43 4.87 0.00 3.07 3.31 0.00 5.57 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 0.00 184 C 7.71 4.64 0.00 3.41 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 0.00 185 D 8.65 4.97 0.00 2.79 2.96 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 0.00 186 A 7.83 5.18 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 0.00 187 F 9.76 5.09 0.00 3.07 2.88 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 0.00 188 M 8.68 5.23 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 189 V 8.94 4.81 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 1.00 0.00 0.00 1.24 0.00 0.00 190 V 8.61 4.60 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 0.84 0.00 0.00 0.87 0.00 0.00 191 G 9.02 3.87 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 0.00 0.00 0.00 192 S 8.15 4.94 0.00 4.13 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 0.00 193 S 8.89 4.33 0.00 4.07 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 0.00 194 L 7.52 3.68 0.00 1.91 1.82 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 195 V 8.03 4.02 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 0.84 0.00 0.00 1.03 0.00 0.00 196 V 7.38 4.58 2.21 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 1.10 0.00 0.00 1.04 0.00 0.00 197 Y 8.63 4.35 0.00 3.00 2.88 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 0.00 198 P 0.00 3.10 0.00 1.90 1.37 0.00 3.85 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 2.02 1.96 0.00 199 A 8.23 3.37 1.57 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 0.00 0.00 200 A 7.79 4.21 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 0.00 201 E 8.02 4.41 0.00 2.28 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 2.43 2.43 0.00 202 L 7.64 3.75 0.00 1.47 1.58 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 203 P 0.00 3.43 0.00 1.79 1.95 0.00 3.39 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 204 Y 7.63 3.79 0.00 3.10 2.92 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 0.00 205 I 7.53 3.64 1.86 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 1.09 0.80 0.00 0.00 206 A 7.61 4.44 0.68 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 0.00 0.00 207 K 7.94 3.65 0.00 1.60 1.78 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.38 7.81 208 K 7.82 3.91 0.00 1.78 1.91 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 209 A 7.57 4.18 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 0.00 210 G 7.78 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 0.00 211 A 7.38 4.43 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 0.00 212 K 8.80 4.36 0.00 1.76 1.77 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.59 7.81 213 M 9.86 5.44 0.00 1.55 1.80 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.65 0.00 214 I 9.13 5.30 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 1.17 0.75 0.91 0.00 0.00 215 I 8.36 4.76 0.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.51 0.36 0.00 0.00 216 V 8.84 4.68 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 0.92 0.00 0.00 0.88 0.00 0.00 217 N 8.83 5.23 0.00 2.76 2.67 0.00 0.00 6.69 7.87 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 0.00 218 A 8.70 4.21 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 0.00 219 E 7.66 4.74 0.00 1.90 1.80 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 2.21 2.28 0.00 220 P 0.00 4.66 0.00 2.19 2.07 0.00 3.31 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 221 T 8.68 4.76 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 1.24 0.00 0.00 222 M 8.70 4.18 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 223 A 7.91 4.52 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 0.00 224 D 8.20 4.67 0.00 2.97 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 0.00 225 P 0.00 4.31 0.00 2.06 2.17 0.00 3.87 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 2.09 2.21 0.00 226 I 7.45 4.01 1.52 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.36 0.79 0.00 0.00 227 F 7.66 4.42 0.00 3.24 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 D 8.78 4.62 0.00 2.74 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 0.00 229 V 7.89 4.68 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 1.05 0.00 0.00 0.96 0.00 0.00 230 K 8.70 4.99 0.00 1.68 1.72 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.44 7.81 231 I 8.70 4.56 1.83 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 1.21 0.64 0.89 0.00 0.00 232 I 8.82 4.65 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 1.26 0.79 0.93 0.00 0.00 233 G 7.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 K 7.86 4.37 0.00 1.82 2.01 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.42 7.81 235 A 8.91 4.04 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 0.00 236 G 8.66 4.15 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 0.00 237 E 7.77 4.42 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 238 V 8.07 3.53 2.13 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 1.01 0.00 0.00 0.95 0.00 0.00 239 L 8.03 3.95 0.00 1.87 1.71 0.90 0.99 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 0.00 240 P 0.00 4.34 0.00 2.27 2.33 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 241 K 7.60 3.98 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.61 7.81 242 I 7.73 3.70 2.01 0.00 0.00 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 1.40 0.82 0.91 0.00 0.00 243 V 7.98 3.62 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 1.06 0.00 0.00 1.07 0.00 0.00 244 E 8.24 3.98 0.00 2.02 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 2.25 2.21 0.00 245 E 8.20 4.15 0.00 2.16 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 2.31 2.36 0.00 246 V 8.01 3.60 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 0.98 0.00 0.00 0.99 0.00 0.00 247 K 8.44 3.95 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 248 R 7.86 3.91 0.00 1.93 2.10 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 249 L 7.82 4.14 0.00 1.83 1.72 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 250 R 8.18 4.14 0.00 2.00 2.00 0.00 3.31 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 251 S 7.54 4.74 0.00 3.71 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 0.00 252 E 7.61 4.85 0.00 1.93 1.67 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 1.98 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.