NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.8740 8.3033 117.8354 56.1824 30.3806 174.7003 -2 H 4.2334 7.9349 118.4298 57.8915 28.9547 175.7638 -1 H 4.0402 8.0623 120.4233 59.2082 30.0105 176.9875 0 S 3.9872 8.0240 114.2520 61.2304 62.9700 175.7150 1 L 4.2065 7.5954 123.2831 57.9212 41.9961 178.9068 2 G 3.6584 7.9097 104.3647 47.4017 0.0000 175.3712 3 L 3.8991 7.6994 120.1396 55.5599 41.5664 178.5668 2 I 3.8684 7.5797 115.4646 63.4017 38.5740 176.8712 3 K 3.8791 7.8294 118.7396 56.6599 32.2664 177.5668 7 T 3.7901 7.9975 114.7652 66.3717 68.5671 176.4179 8 A 4.0989 8.0688 123.0634 53.3754 19.0330 176.8365 9 E 3.7629 7.4259 115.3698 57.1996 27.6107 175.4705 10 C 4.3380 7.8413 114.4623 60.3661 29.5026 174.2790 11 R 4.5789 8.1064 121.5989 54.0846 31.8722 177.3772 12 A 4.2055 8.4957 123.2293 55.1265 18.4849 178.4895 13 E 4.3490 7.9338 112.7380 57.2004 30.3040 176.3068 14 H 4.9197 8.1080 117.6806 55.7852 30.4429 174.4138 15 R 5.2796 9.3180 120.9927 54.3878 32.8167 175.3694 16 V 4.9031 8.8455 122.9726 59.7100 34.9383 174.0449 17 L 4.4754 8.1748 124.6539 53.0785 44.6405 174.2780 18 D 5.2414 8.8085 126.3579 51.8884 43.1981 174.6579 19 I 4.4166 8.8166 128.3684 60.2121 38.2494 176.2057 20 G 3.7635 8.7542 115.1491 46.4762 0.0000 173.9369 21 A 4.7350 7.9917 121.5032 52.5025 20.2852 179.7772 22 G 3.6671 7.9410 103.8826 47.2055 0.0000 175.0472 23 A 4.0177 8.5283 127.8769 52.2329 18.7364 178.8974 24 G 3.9443 8.1136 105.4080 45.5083 0.0000 175.5497 25 H 4.0431 8.0357 118.0828 58.9144 28.7954 177.6493 26 T 3.9927 8.0084 116.7917 66.6827 68.2530 176.3362 27 A 4.1199 8.1651 122.1200 55.3700 18.2647 179.5489 28 L 4.0436 8.0979 116.1262 57.8584 41.7282 179.3176 29 A 4.2065 8.0369 120.1710 55.1300 18.5261 179.3802 30 F 4.2555 8.5326 116.0608 60.1042 38.5857 177.9943 31 S 4.2194 7.9008 114.4375 61.1520 62.4027 174.6961 32 P 3.9380 0.0000 0.0000 64.2564 31.1357 176.3703 33 Y 4.5535 8.1153 114.2289 58.0423 39.0215 175.4063 34 V 4.8407 7.1869 111.2685 59.1606 35.8946 175.4967 35 Q 4.1994 8.8330 122.3420 59.2105 29.2353 175.9440 36 E 5.0072 7.9539 117.7513 55.1362 33.5895 173.2284 37 C 5.2845 9.1305 122.8822 57.9824 32.0561 172.8987 38 I 4.7944 8.7100 124.2799 59.3349 39.8498 174.7556 39 G 4.5785 8.7167 113.8645 44.4818 0.0000 172.4010 40 V 5.7555 8.7056 116.0163 58.5728 34.9891 174.3405 41 D 5.2338 8.6105 122.8372 52.3019 44.3940 176.2327 42 A 4.1377 9.0604 127.1806 54.1999 18.8271 177.6410 43 T 4.5749 7.9935 106.4547 59.3802 70.8197 174.1929 44 K 3.9542 8.9687 127.5305 59.6432 32.3713 178.5735 45 E 3.9393 8.2018 112.5647 57.4957 29.4066 178.4096 *47 V 3.9668 7.8791 120.6983 63.5951 33.4981 177.4097 48 E 3.9918 8.3443 119.1845 59.2883 29.1475 179.4096 49 V 3.5649 7.9370 118.0931 66.0376 31.6197 177.9233 50 A 3.9171 7.5902 121.1832 54.5798 18.2018 179.5072 51 S 4.3906 7.9931 113.9101 61.9409 62.8575 177.2083 52 S 4.2075 8.2405 116.9570 61.1644 62.9778 175.9840 53 F 3.8260 8.5432 124.3780 61.2607 39.1852 177.0617 54 A 4.2317 8.4887 120.1340 55.2890 18.1411 179.4307 55 Q 3.9505 8.1364 116.1091 59.2624 28.6591 178.4129 56 E 3.9088 8.1952 119.4212 59.3864 29.6743 178.4826 57 K 4.3967 7.9769 114.8015 55.7643 32.5486 177.6180 58 G 3.9346 8.1651 107.6829 45.8996 0.0000 174.0173 59 V 3.9385 7.6356 112.9900 60.8965 32.0070 176.1212 60 E 4.5599 8.8081 122.9006 56.3864 30.6154 175.9038 61 N 5.0604 8.0080 116.5316 52.3356 38.7567 173.9332 62 V 4.8219 7.7297 117.7837 62.0138 34.5996 174.6902 63 R 4.6642 8.5326 124.9128 54.5481 34.7821 173.9535 64 F 5.5485 8.7959 120.0450 55.9447 42.2928 174.4479 65 Q 4.7412 9.1519 119.0171 54.6266 32.5621 173.4487 66 Q 4.7626 8.7731 121.8481 55.8930 29.8764 175.0513 67 G 4.1402 8.0722 112.7917 46.5046 0.0000 172.0509 68 T 4.8029 7.6576 109.1983 59.3645 70.9094 175.5909 69 A 3.8769 8.2878 125.6272 55.1731 18.5387 179.7095 70 E 3.9828 7.7800 113.9583 58.6122 29.7194 177.2798 71 S 4.4716 7.5399 112.3460 56.8171 63.1641 171.8996 72 L 4.3454 9.1913 126.8322 52.8303 42.3936 175.6305 73 P 4.3195 0.0000 0.0000 63.2836 31.8499 176.4147 74 F 4.5971 7.2329 117.7444 56.3096 39.8238 173.5398 75 P 4.4755 0.0000 0.0000 62.2270 31.8003 176.3260 76 D 4.5175 8.5767 119.9707 56.3360 41.4957 176.4727 77 D 4.5989 8.9510 120.6806 55.0124 38.6819 174.2898 78 S 4.5528 8.5427 111.2114 57.9539 65.0700 175.1842 79 F 4.8118 7.8198 119.4551 55.8640 41.9797 175.8805 80 D 4.4849 8.9481 122.7919 56.8507 42.0818 176.6670 81 I 5.1514 7.6465 117.7622 59.5449 41.8884 174.4703 82 I 4.9224 8.8157 126.7484 59.5846 40.4403 174.5584 83 T 5.0303 9.1651 116.9930 60.1733 72.0578 173.2165 84 C 4.8558 8.9801 124.4307 58.6242 34.6818 172.6430 85 R 4.5129 8.5687 127.7007 54.5973 31.4794 174.7355 86 Y 4.1760 8.7919 125.6552 58.3640 36.3922 171.6270 87 A 4.5433 7.7267 121.3289 52.5352 21.8176 179.1856 88 A 2.5800 7.6781 118.7912 54.8713 18.7767 178.8075 89 H 4.9887 8.0133 109.4213 57.2490 28.5997 176.1774 90 H 4.8543 7.6155 116.4317 55.5533 29.2450 175.0196 91 F 4.8126 7.9454 120.2211 57.2846 39.2453 175.9608 92 S 4.3089 8.8890 119.9552 60.9925 63.3761 173.9190 93 D 4.6085 8.7133 120.7058 51.3003 41.7247 175.2413 94 V 3.9238 8.2633 125.0422 65.5116 31.7697 177.3818 95 R 3.9346 8.0385 117.6034 59.1365 29.9861 178.7520 96 K 3.9409 8.0983 119.1857 59.2390 32.0985 178.6594 97 A 4.1267 7.9376 122.4854 54.6493 18.2299 179.8104 98 V 3.4960 8.2341 117.0346 65.9697 31.6860 178.1511 99 R 4.2484 7.8450 119.7499 59.0198 30.0014 178.4012 100 E 3.9237 8.2120 118.2978 59.2362 29.4444 179.3599 101 V 3.3463 7.8630 118.2670 65.9928 31.2647 177.8176 102 A 3.8578 7.6854 119.0470 55.1013 18.3765 179.3163 103 R 3.9541 7.8590 116.8363 59.6964 30.3134 178.9151 104 V 4.1156 7.7394 110.8538 61.9789 31.6622 175.7887 105 L 4.6109 7.4461 122.4394 54.4824 43.1773 176.6571 106 K 4.1587 9.1279 125.9077 56.1616 33.4659 176.4118 107 Q 4.0658 7.7232 118.6815 57.6837 29.0482 176.9660 108 D 4.4747 9.2005 122.2461 54.8889 39.5017 174.1710 109 G 3.9428 8.1840 108.0358 46.1972 0.0000 172.9404 110 R 5.2494 8.5862 118.9680 54.1781 33.0470 175.0818 111 F 5.3626 9.2812 126.7755 56.6670 41.5329 174.1109 112 L 4.8139 9.0258 127.1831 52.9380 43.8063 175.2153 113 L 4.5372 8.3608 127.2569 52.9787 44.4864 175.0071 114 V 4.8585 8.1387 126.9140 60.4351 33.7248 173.9520 115 D 4.8515 7.9629 125.5457 53.5435 44.8291 173.5277 116 H 5.0507 8.7509 117.3492 55.4726 29.9293 173.9270 117 Y 5.3117 8.2478 116.6288 55.3480 41.6374 174.3398 118 A 4.5335 8.9837 122.8217 50.7486 19.8804 176.0381 119 P 4.8133 0.0000 0.0000 62.4874 32.2212 176.6175 120 E 4.0552 8.7464 119.4183 59.3539 29.7211 178.0351 121 D 4.3834 8.1119 119.0581 53.7420 41.9771 174.8782 122 P 4.2640 0.0000 0.0000 66.0635 31.1744 178.5926 123 V 3.6455 8.0314 117.8799 65.7931 31.4200 178.0578 124 L 4.2673 7.9280 118.4205 57.5901 41.6731 178.2296 125 D 4.4966 8.4254 118.3284 57.7557 41.0459 178.1805 126 E 3.9661 8.6002 119.6539 59.2022 29.6235 178.3843 127 F 4.0519 8.4389 120.8460 61.5224 39.4709 177.5911 128 V 3.2728 8.0585 118.5814 64.5381 31.2741 178.0159 129 N 4.3226 8.2685 117.1684 56.3405 38.3395 176.8104 130 H 4.0541 8.3168 119.7062 58.9550 29.7853 176.7916 131 L 3.6680 7.4397 122.0919 58.5001 41.8586 178.9274 132 N 4.4766 7.9822 116.1286 56.1558 38.1657 177.5621 133 R 4.0478 7.6569 119.5679 59.2579 30.2595 177.9245 134 L 3.9693 7.6353 118.0771 58.0282 41.6725 179.2590 135 R 4.0643 7.4075 117.4530 57.4943 30.3184 175.5462 136 D 4.4602 8.0425 118.3664 51.5147 42.4436 173.6950 137 P 4.3006 0.0000 0.0000 64.9111 31.4693 177.8169 138 S 4.2019 8.2458 113.3786 60.6152 62.5074 173.6720 139 H 4.2413 8.3095 121.3054 56.4912 29.3368 174.0904 140 V 3.9702 7.6751 128.0008 62.8883 32.6204 175.2346 141 R 4.5340 7.0983 115.0726 55.1584 32.9830 173.2493 142 E 4.7960 9.5535 124.6256 55.2770 30.6823 176.4615 143 S 4.6020 8.7228 120.9531 58.0878 64.6454 173.9732 144 S 5.3753 9.0347 117.2059 57.2734 64.2910 175.4219 145 L 4.1445 8.6114 120.3171 57.8139 41.2936 179.6977 146 S 4.0183 8.2716 115.3066 61.8899 62.6281 176.5969 147 E 3.9053 7.7637 119.2885 59.2801 29.2250 179.3271 148 W 4.4204 7.7467 117.7685 59.8631 29.3928 178.2024 149 Q 3.7705 8.1894 117.9836 58.6335 27.9399 179.5503 150 A 4.3445 7.8455 119.2229 52.5980 18.1665 179.2737 *152 F 4.7843 8.0041 121.0261 59.3755 41.0965 177.6897 153 S 4.1296 8.5663 114.8356 61.2179 62.2917 176.0034 154 A 4.0910 8.3507 122.3794 54.4233 18.2582 177.6661 155 N 4.9487 7.9406 112.0546 52.5914 39.5230 174.4973 156 Q 3.6716 7.7690 115.8130 57.0556 26.9384 172.8764 157 L 5.1360 7.9746 117.0717 52.8848 43.3766 177.0094 158 A 4.3545 9.2158 127.0736 52.1642 19.6521 175.3033 159 Y 5.2676 8.7870 122.8403 55.9727 41.2031 174.7163 160 Q 4.3921 8.3101 126.7148 54.3183 32.9191 173.0625 161 D 4.5154 8.6260 126.5316 54.2545 41.0688 175.6979 162 I 4.0327 8.5103 128.2657 63.9684 37.8868 176.5583 163 Q 4.7390 7.7902 120.0741 55.0474 32.2945 172.7299 164 K 5.3256 8.8985 124.4946 54.6095 34.9999 175.2877 165 W 5.3588 8.7295 119.8385 55.1880 32.1615 173.3208 166 N 4.9314 8.9037 118.9714 52.9662 39.0608 174.4727 167 L 4.7233 9.0600 127.7220 53.0603 43.2595 173.7310 168 P 4.6139 0.0000 0.0000 62.6767 32.6049 175.6735 169 I 4.1789 8.3880 124.6533 59.3087 40.3148 174.4381 170 Q 4.4147 8.3579 126.2733 54.9979 29.6474 175.7936 171 Y 4.1642 8.9879 126.0883 61.0732 38.9355 177.9714 172 D 4.3327 8.3015 119.1133 57.4395 40.9178 178.6419 173 S 4.0697 8.0429 113.0770 61.0409 62.4674 175.7767 174 W 4.1422 8.2449 131.0034 60.4901 30.3405 177.8647 175 I 3.2250 7.8564 119.9608 64.3019 36.5481 178.0956 176 K 3.8308 7.8027 119.0170 60.0282 31.7516 179.4901 177 R 4.0218 8.1002 117.3113 59.2086 30.0434 179.1534 178 G 3.4935 7.6858 104.7002 45.1159 0.0000 174.1857 179 G 3.8630 7.7102 108.0005 46.5507 0.0000 173.7406 180 T 3.8756 7.3404 117.3731 62.0361 68.8147 173.8022 181 P 4.4268 0.0000 0.0000 62.4486 33.4426 177.1735 182 A 3.9811 8.4871 120.9291 55.2881 17.9161 179.7916 183 D 4.2976 8.0194 117.2301 56.8586 39.5043 179.0088 184 R 4.1674 7.8172 120.4974 58.1739 30.0756 178.3453 185 E 3.9948 8.4748 119.4911 59.2204 29.5811 178.9865 186 K 3.9792 8.2773 118.5761 59.6759 32.1637 179.3161 187 Q 4.0187 7.8575 117.7940 58.8771 28.5224 178.8127 188 I 3.8352 7.9621 120.8926 64.3884 37.1683 178.4206 189 I 3.6862 8.0642 120.7101 64.8699 36.9880 178.5555 190 T 3.9358 8.0531 116.4254 66.8666 68.0210 176.1062 191 H 4.1829 8.2494 119.2031 59.4215 29.8544 177.0655 192 L 4.2745 8.1914 120.9099 57.9408 41.3058 179.2750 193 N 4.4633 8.5880 116.4069 55.6288 38.1887 176.1759 194 H 4.8459 7.8829 115.2677 54.3676 29.5422 174.9468 195 A 4.0961 7.1902 124.4991 51.8965 18.8729 179.0098 196 S 4.2923 8.3710 116.8323 58.4997 64.9122 175.5045 197 D 4.2988 8.4727 121.6413 57.4970 40.4498 178.9347 198 E 3.8678 8.0417 118.3959 59.2927 29.5032 179.0991 199 A 3.8164 8.0073 120.9193 55.0700 18.3124 179.8044 200 R 3.8260 7.9137 116.6268 59.3564 30.0072 178.8274 201 D 4.1769 8.0628 117.5662 57.7681 41.1170 178.3455 202 T 3.6452 7.7844 115.1769 65.8089 68.5980 175.2427 203 F 4.9676 8.0861 117.1219 55.7239 39.9550 175.6608 204 C 4.2285 7.7604 117.4756 60.8204 25.9922 173.5509 205 I 4.5638 7.7988 119.2954 61.6010 37.8649 177.4312 206 T 4.6880 9.1481 124.4139 61.6924 71.0662 173.3763 207 L 5.2141 8.3555 124.9938 52.6305 45.8109 176.1417 208 N 4.6370 9.0719 119.6559 52.8651 39.3730 176.5186 209 Q 3.9901 8.6058 118.4768 59.2622 28.7364 177.6810 210 N 4.5676 8.1170 112.1749 52.8628 37.4042 175.8050 211 G 3.9933 8.0637 106.5607 45.5035 0.0000 173.5493 212 Q 4.0707 7.6731 121.8638 54.5477 29.5691 173.5385 213 P 4.4847 0.0000 0.0000 62.8534 32.3504 175.3426 214 I 4.5248 8.7553 122.3957 62.6100 39.3857 175.6762 215 S 5.0996 7.8086 114.0876 57.7613 66.2883 172.6380 216 F 5.7755 7.9191 114.5188 56.9975 41.3130 172.3047 217 C 5.3526 9.5160 116.5204 58.0559 31.2717 173.9810 218 L 4.6795 8.7007 122.5599 53.6292 44.1270 175.6221 219 K 4.5286 8.3475 120.1355 55.1861 33.4387 175.7090 220 A 5.0783 8.4462 126.8182 50.2098 22.7299 174.4686 221 I 4.5750 7.6547 117.4896 59.5465 42.3497 173.2150 222 L 4.9395 9.0816 129.9689 53.5144 44.0762 174.9045 223 I 4.4239 8.5964 127.7889 59.5026 39.7678 174.3495 224 Q 4.8773 8.8539 128.1877 54.2722 31.3919 174.2143 225 G 5.1831 9.3699 114.0146 45.5476 0.0000 172.2044 226 I 5.1376 8.1622 123.6804 58.8394 40.7609 174.5431 227 K 4.5136 8.7496 128.8455 55.7943 32.6895 175.1299 228 R 5.0854 8.9186 128.9024 56.6579 33.0832 176.3107 229 E 4.6124 8.6550 127.6482 57.8209 33.2481 175.2831 230 G 3.7911 8.5244 107.8389 47.2841 0.0000 172.9586 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 -3 H 8.30 4.87 0.00 3.36 3.62 0.00 5.58 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 -2 H 7.93 4.23 0.00 3.25 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.06 4.04 0.00 3.05 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.02 3.99 0.00 4.14 4.35 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 1 L 7.60 4.21 0.00 1.79 1.91 1.01 1.14 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 2 G 7.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.70 3.90 0.00 1.58 1.50 0.74 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.58 3.87 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 1.41 0.80 0.91 0.00 0.00 3 K 7.83 3.88 0.00 1.80 1.63 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 7 T 8.00 3.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 A 8.07 4.10 1.53 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 0.00 0.00 9 E 7.43 3.76 0.00 2.26 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 2.25 2.41 0.00 10 C 7.84 4.34 0.00 3.03 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 11 R 8.11 4.58 0.00 1.33 1.99 0.00 3.14 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 12 A 8.50 4.21 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 13 E 7.93 4.35 0.00 1.95 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 2.28 2.37 0.00 14 H 8.11 4.92 0.00 3.30 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 9.32 5.28 0.00 1.70 1.82 0.00 2.86 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 16 V 8.85 4.90 1.78 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 0.78 0.00 0.00 0.51 0.00 0.00 17 L 8.17 4.48 0.00 0.27 0.55 0.47 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.81 5.24 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.82 4.42 2.11 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.01 1.02 0.00 0.00 20 G 8.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.99 4.74 1.53 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 0.00 0.00 22 G 7.94 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 23 A 8.53 4.02 1.23 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 0.00 0.00 24 G 8.11 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 25 H 8.04 4.04 0.00 3.25 3.37 0.00 5.82 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 26 T 8.01 3.99 4.57 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 1.38 0.00 0.00 27 A 8.17 4.12 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 28 L 8.10 4.04 0.00 1.68 1.83 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.04 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 30 F 8.53 4.26 0.00 3.38 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 31 S 7.90 4.22 0.00 4.28 4.38 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 32 P 0.00 3.94 0.00 1.26 1.87 0.00 3.83 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 1.81 2.06 0.00 33 Y 8.12 4.55 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.19 4.84 2.42 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 0.91 0.00 0.00 1.14 0.00 0.00 35 Q 8.83 4.20 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 36 E 7.95 5.01 0.00 2.04 1.71 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 2.27 2.33 0.00 37 C 9.13 5.28 0.00 2.78 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 38 I 8.71 4.79 1.68 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 1.15 0.71 0.93 0.00 0.00 39 G 8.72 4.58 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 40 V 8.71 5.76 2.17 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 0.84 0.00 0.00 1.05 0.00 0.00 41 D 8.61 5.23 0.00 2.80 2.48 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 42 A 9.06 4.14 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 43 T 7.99 4.57 4.38 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 1.22 0.00 0.00 44 K 8.97 3.95 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.47 7.81 45 E 8.20 3.94 0.00 2.15 2.17 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 2.37 2.26 0.00 *47 V 7.88 3.97 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 1.09 0.00 0.00 1.11 0.00 0.00 48 E 8.34 3.99 0.00 2.19 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 2.55 2.47 0.00 49 V 7.94 3.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.96 0.00 0.00 50 A 7.59 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.99 4.39 0.00 4.16 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 52 S 8.24 4.21 0.00 4.07 4.14 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 53 F 8.54 3.83 0.00 3.37 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 54 A 8.49 4.23 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.14 3.95 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 56 E 8.20 3.91 0.00 1.90 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 0.00 2.19 2.29 0.00 57 K 7.98 4.40 0.00 1.94 1.93 0.00 1.98 0.00 0.00 1.78 0.00 0.00 3.37 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.88 7.81 58 G 8.17 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.64 3.94 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 0.76 0.00 0.00 1.05 0.00 0.00 60 E 8.81 4.56 0.00 1.95 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 2.24 2.22 0.00 61 N 8.01 5.06 0.00 2.92 2.99 0.00 0.00 5.61 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 62 V 7.73 4.82 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 0.44 0.00 0.00 0.94 0.00 0.00 63 R 8.53 4.66 0.00 1.68 1.70 0.00 3.13 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 64 F 8.80 5.55 0.00 2.95 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 65 Q 9.15 4.74 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 66 Q 8.77 4.76 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 67 G 8.07 4.14 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 0.00 0.00 0.00 68 T 7.66 4.80 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 1.20 0.00 0.00 69 A 8.29 3.88 0.49 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 0.00 0.00 70 E 7.78 3.98 0.00 1.87 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 2.27 2.38 0.00 71 S 7.54 4.47 0.00 3.73 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.19 4.35 0.00 1.79 1.77 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.32 0.00 1.83 1.90 0.00 2.85 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.55 0.00 74 F 7.23 4.60 0.00 3.30 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 75 P 0.00 4.48 0.00 2.02 1.98 0.00 3.81 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 2.01 2.12 0.00 76 D 8.58 4.52 0.00 2.64 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 77 D 8.95 4.60 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.55 0.00 3.29 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 7.82 4.81 0.00 2.86 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 80 D 8.95 4.48 0.00 2.71 2.41 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 81 I 7.65 5.15 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.75 0.00 0.00 82 I 8.82 4.92 1.89 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 0.97 0.57 0.82 0.00 0.00 83 T 9.17 5.03 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 0.78 0.00 0.00 84 C 8.98 4.86 0.00 3.29 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 85 R 8.57 4.51 0.00 1.80 1.84 0.00 3.52 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 86 Y 8.79 4.18 0.00 3.16 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 87 A 7.73 4.54 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 88 A 7.68 2.58 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 89 H 8.01 4.99 0.00 3.24 3.56 0.00 5.52 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 90 H 7.62 4.85 0.00 3.29 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.95 4.81 0.00 3.14 3.09 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 92 S 8.89 4.31 0.00 4.01 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 93 D 8.71 4.61 0.00 2.64 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 94 V 8.26 3.92 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 1.26 0.00 0.00 1.02 0.00 0.00 95 R 8.04 3.93 0.00 2.05 1.97 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 96 K 8.10 3.94 0.00 1.94 1.94 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.58 7.81 97 A 7.94 4.13 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 98 V 8.23 3.50 2.33 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 1.17 0.00 0.00 1.41 0.00 0.00 99 R 7.85 4.25 0.00 2.06 2.07 0.00 3.18 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 100 E 8.21 3.92 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 101 V 7.86 3.35 1.72 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 -0.05 0.00 0.00 0.64 0.00 0.00 102 A 7.69 3.86 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 0.00 103 R 7.86 3.95 0.00 1.91 2.09 0.00 3.22 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 104 V 7.74 4.12 2.36 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 0.88 0.00 0.00 1.08 0.00 0.00 105 L 7.45 4.61 0.00 1.95 1.64 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.13 4.16 0.00 1.76 1.70 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.56 1.53 7.81 107 Q 7.72 4.07 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.36 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 108 D 9.20 4.47 0.00 2.82 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 0.00 109 G 8.18 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 R 8.59 5.25 0.00 1.77 1.83 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 111 F 9.28 5.36 0.00 2.81 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 0.00 112 L 9.03 4.81 0.00 1.48 1.47 0.97 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.36 4.54 0.00 0.44 0.95 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.14 4.86 1.72 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 0.58 0.00 0.00 0.88 0.00 0.00 115 D 7.96 4.85 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.75 5.05 0.00 3.18 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.25 5.31 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.98 4.53 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 0.00 119 P 0.00 4.81 0.00 2.12 2.01 0.00 3.93 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 120 E 8.75 4.06 0.00 1.98 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 2.35 2.25 0.00 121 D 8.11 4.38 0.00 2.74 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 0.00 0.00 0.00 0.00 122 P 0.00 4.26 0.00 2.33 2.33 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 123 V 8.03 3.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 124 L 7.93 4.27 0.00 1.96 1.88 0.80 0.96 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 0.00 125 D 8.43 4.50 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.60 3.97 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 127 F 8.44 4.05 0.00 3.29 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 0.00 128 V 8.06 3.27 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 0.96 0.00 0.00 0.65 0.00 0.00 129 N 8.27 4.32 0.00 2.93 2.96 0.00 0.00 6.61 7.47 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 0.00 130 H 8.32 4.05 0.00 3.20 3.15 0.00 5.80 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 0.00 131 L 7.44 3.67 0.00 1.38 1.51 0.77 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.98 4.48 0.00 2.55 2.60 0.00 0.00 6.76 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 0.00 133 R 7.66 4.05 0.00 1.95 1.89 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 134 L 7.64 3.97 0.00 1.69 1.62 0.67 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.41 4.06 0.00 1.25 1.74 0.00 2.58 0.00 0.00 2.65 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 136 D 8.04 4.46 0.00 2.64 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 0.00 137 P 0.00 4.30 0.00 2.21 2.15 0.00 3.77 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 138 S 8.25 4.20 0.00 3.89 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 0.00 139 H 8.31 4.24 0.00 3.20 3.32 0.00 5.99 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 0.00 140 V 7.68 3.97 2.28 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 0.82 0.00 0.00 1.07 0.00 0.00 141 R 7.10 4.53 0.00 1.83 1.68 0.00 3.22 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 142 E 9.55 4.80 0.00 2.29 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 0.00 2.59 2.51 0.00 143 S 8.72 4.60 0.00 3.14 3.39 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 0.00 144 S 9.03 5.38 0.00 4.12 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 0.00 145 L 8.61 4.14 0.00 1.61 1.67 0.43 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.27 4.02 0.00 4.04 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 0.00 147 E 7.76 3.91 0.00 1.92 1.78 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 2.27 2.30 0.00 148 W 7.75 4.42 0.00 3.39 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.19 3.77 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 150 A 7.85 4.34 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 *152 F 8.00 4.78 0.00 3.49 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 0.00 153 S 8.57 4.13 0.00 4.03 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 0.00 154 A 8.35 4.09 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 0.00 155 N 7.94 4.95 0.00 2.73 2.74 0.00 0.00 7.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 7.77 3.67 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 157 L 7.97 5.14 0.00 1.54 1.46 0.32 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 158 A 9.22 4.35 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.79 5.27 0.00 3.10 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 0.00 160 Q 8.31 4.39 0.00 2.10 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 161 D 8.63 4.52 0.00 2.69 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 0.00 0.00 0.00 0.00 162 I 8.51 4.03 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.86 0.89 0.00 0.00 163 Q 7.79 4.74 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.72 0.00 164 K 8.90 5.33 0.00 1.75 1.79 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.64 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.71 7.81 165 W 8.73 5.36 0.00 3.33 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 0.00 166 N 8.90 4.93 0.00 2.70 2.84 0.00 0.00 6.84 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 0.00 167 L 9.06 4.72 0.00 1.80 1.69 1.16 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.61 0.00 2.06 2.02 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 169 I 8.39 4.18 0.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.88 -0.36 0.00 0.00 170 Q 8.36 4.41 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 171 Y 8.99 4.16 0.00 3.10 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 0.00 172 D 8.30 4.33 0.00 2.80 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 0.00 173 S 8.04 4.07 0.00 3.90 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 0.00 174 W 8.24 4.14 0.00 3.40 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 0.00 175 I 7.86 3.23 1.73 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.11 0.77 0.00 0.00 176 K 7.80 3.83 0.00 2.04 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 177 R 8.10 4.02 0.00 1.71 1.97 0.00 3.17 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 178 G 7.69 3.49 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 0.00 0.00 0.00 179 G 7.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.34 3.88 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 1.10 0.00 0.00 181 P 0.00 4.43 0.00 2.39 2.14 0.00 3.62 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 2.11 1.99 0.00 182 A 8.49 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 D 8.02 4.30 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.82 4.17 0.00 1.91 2.09 0.00 3.51 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.43 0.00 185 E 8.47 3.99 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 2.50 2.48 0.00 186 K 8.28 3.98 0.00 2.01 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.65 7.81 187 Q 7.86 4.02 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 188 I 7.96 3.84 2.21 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 1.56 0.77 1.29 0.00 0.00 189 I 8.06 3.69 2.08 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 1.49 0.90 0.96 0.00 0.00 190 T 8.05 3.94 4.38 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 1.12 0.00 0.00 191 H 8.25 4.18 0.00 3.15 3.46 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 L 8.19 4.27 0.00 1.71 1.70 0.94 0.59 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 0.00 193 N 8.59 4.46 0.00 2.92 2.85 0.00 0.00 6.92 7.73 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 0.00 194 H 7.88 4.85 0.00 3.27 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 7.19 4.10 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 0.00 196 S 8.37 4.29 0.00 4.01 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 0.00 197 D 8.47 4.30 0.00 2.74 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 0.00 198 E 8.04 3.87 0.00 1.97 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 2.35 2.38 0.00 199 A 8.01 3.82 0.57 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 R 7.91 3.83 0.00 1.98 1.95 0.00 3.37 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 201 D 8.06 4.18 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.65 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 203 F 8.09 4.97 0.00 3.12 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 0.00 204 C 7.76 4.23 0.00 3.09 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 0.00 205 I 7.80 4.56 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.94 0.00 0.00 206 T 9.15 4.69 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 1.21 0.00 0.00 207 L 8.36 5.21 0.00 1.45 1.49 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 208 N 9.07 4.64 0.00 2.77 2.75 0.00 0.00 7.17 7.22 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 0.00 209 Q 8.61 3.99 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.32 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 210 N 8.12 4.57 0.00 2.83 2.91 0.00 0.00 6.12 7.00 0.00 0.00 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 G 8.06 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 0.00 212 Q 7.67 4.07 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 213 P 0.00 4.48 0.00 0.61 1.63 0.00 3.18 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 1.26 1.83 0.00 214 I 8.76 4.52 2.02 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 1.30 1.00 0.93 0.00 0.00 215 S 7.81 5.10 0.00 3.86 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 0.00 216 F 7.92 5.78 0.00 3.35 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 0.00 217 C 9.52 5.35 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 L 8.70 4.68 0.00 1.59 1.51 0.94 0.52 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 0.00 219 K 8.35 4.53 0.00 0.79 0.90 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.06 7.81 220 A 8.45 5.08 0.25 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 0.00 221 I 7.65 4.58 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.32 0.71 0.00 0.00 222 L 9.08 4.94 0.00 1.95 1.64 0.83 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 223 I 8.60 4.42 1.31 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.21 0.23 0.00 0.00 224 Q 8.85 4.88 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 225 G 9.37 5.18 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 0.00 226 I 8.16 5.14 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.98 0.00 0.00 227 K 8.75 4.51 0.00 1.86 1.81 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.40 7.81 228 R 8.92 5.09 0.00 1.71 1.35 0.00 3.34 0.00 0.00 3.24 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 229 E 8.66 4.61 0.00 1.89 1.84 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 2.21 2.29 0.00 230 G 8.52 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 * Residues marked with a * may have inaccurate shift predictions.