NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8156 8.5081 117.6119 53.2239 38.6137 174.0421 2 D 4.6316 8.4147 115.9222 52.9850 39.2548 174.8217 3 D 4.5487 9.2437 121.5000 55.3796 42.7450 176.9065 4 K 4.6595 8.5555 120.2690 54.6316 35.4235 175.1513 5 L 4.9978 8.7257 122.2230 53.3242 45.7579 174.9802 6 Y 5.3988 8.9279 116.7118 56.7435 42.6945 174.8212 7 R 4.9743 9.2295 123.1080 54.9452 33.8185 173.7895 8 A 5.0702 8.9295 128.6179 52.1509 19.7732 176.0371 9 D 4.7312 9.2654 120.1725 53.3598 44.7626 176.7003 10 S 4.2825 8.7332 120.2646 60.5407 63.5749 174.6619 11 R 4.0483 8.1570 121.7012 55.4083 30.1554 175.3920 12 P 4.0008 0.0000 0.0000 61.2824 33.7769 175.1544 13 P 3.6491 0.0000 0.0000 65.8163 30.9735 178.6091 14 D 4.2387 7.7361 116.9226 57.2331 40.6982 178.2787 15 E 3.8637 7.9449 119.2316 59.3003 29.6559 178.6957 16 I 3.5575 7.6070 119.7807 64.1170 37.1173 178.2784 17 K 2.9600 8.0660 120.5979 59.3787 31.8004 178.5422 18 Q 3.8934 7.7340 118.2471 59.0766 29.0165 177.7685 19 S 4.4538 8.0041 113.7871 58.3562 63.4434 175.1299 20 G 3.8088 7.2848 110.7483 44.7113 0.0000 174.2096 21 G 3.8951 6.9334 106.2502 44.0474 0.0000 173.2764 22 L 4.2607 8.3105 123.1110 53.9118 41.2577 176.1172 23 M 4.7316 8.1163 123.2164 52.8621 33.5972 174.6717 24 P 4.6131 0.0000 0.0000 62.0796 32.4056 177.7827 25 R 3.6295 8.5960 121.2116 59.5806 29.8238 177.8449 26 G 3.8934 7.7773 102.9990 45.8304 0.0000 174.1011 27 Q 4.0148 7.8630 124.0182 59.7119 29.0877 178.9385 28 S 4.0168 8.1453 115.5195 58.9617 62.3788 176.2073 *36 Q 4.1914 8.0336 118.9356 55.4371 29.2425 177.9705 37 M 4.3311 8.4209 120.2824 53.6881 32.4041 175.5807 38 N 4.4993 8.6095 118.8845 53.6870 39.6183 173.8285 39 I 4.5824 8.6899 126.6451 59.8374 38.8611 175.1937 40 N 4.7654 9.2203 125.2175 51.3926 41.5403 174.8286 41 L 3.1406 8.1874 125.7698 58.0280 42.0713 178.0929 42 Y 4.0420 7.8252 119.4397 60.8559 38.4687 177.8937 43 D 4.1591 8.5416 118.7425 57.5349 41.3229 177.8587 44 H 4.1695 8.3907 118.6331 59.3926 29.6465 177.2176 45 A 4.0806 8.0739 121.3714 54.6670 18.2728 179.0426 46 R 4.2107 7.4728 114.5484 56.2784 30.8413 177.4399 47 G 3.6470 7.1319 110.2322 46.5603 0.0000 172.8021 48 T 3.7348 7.8921 114.2017 62.0355 68.9061 174.5622 *50 T 3.9803 8.0132 118.7523 63.1965 68.1883 174.9694 51 G 3.9807 9.2198 117.3092 45.5239 0.0000 172.4713 52 F 4.7049 7.5186 116.4549 55.0890 42.8384 174.8394 53 V 3.6884 8.5416 124.3663 62.6841 32.1403 175.6660 54 R 3.8917 8.5041 124.1278 57.4267 30.3590 177.2148 55 H 5.3062 8.6995 116.0522 56.0905 29.6207 172.6284 56 D 4.7735 7.9964 119.6778 53.9535 42.8999 174.9332 57 D 4.4623 8.8755 117.2834 54.5935 38.2893 175.7796 58 G 4.0411 8.6808 105.9822 45.3084 0.0000 172.8069 59 Y 5.2399 7.7586 115.2328 55.9624 42.5507 174.6120 60 V 4.7693 8.5738 120.6264 61.3408 34.3399 174.7017 61 S 5.0859 8.9457 123.3639 58.0327 63.7160 172.8848 62 T 5.0023 8.8934 114.2705 60.5006 72.8261 172.6391 63 S 5.2666 9.4989 118.3199 56.9624 65.6013 175.2719 64 I 4.4134 8.4793 114.1367 61.4682 38.2851 176.1051 65 S 4.5311 7.5180 115.5573 55.9329 66.9186 174.4995 66 L 3.2814 7.3027 124.4101 57.9191 41.8142 179.0733 67 R 3.8078 7.7005 118.1329 59.7268 30.0040 178.4552 68 S 4.1074 8.0955 114.4581 61.5992 62.8139 176.6338 69 A 4.0970 8.1213 123.4804 55.3144 18.0712 179.2192 70 H 4.2875 8.6210 117.1830 59.4814 29.8520 177.5191 71 L 3.9490 8.0993 120.8853 57.7831 41.4176 179.7096 72 V 3.7049 8.0913 118.3655 65.9217 31.4033 178.3264 73 G 3.5323 8.3412 105.5526 47.9557 0.0000 175.7471 74 Q 3.9835 8.4426 120.3239 58.6739 28.4032 179.0586 75 T 3.8784 7.3919 116.5994 66.4885 68.6537 176.3013 76 I 4.1324 7.5015 119.7729 62.2176 37.9018 176.7684 77 L 4.5973 7.9603 118.3015 53.9651 42.1070 176.2557 78 S 4.4627 7.8364 113.8469 59.8905 63.2268 174.7023 79 G 3.8985 9.0631 111.5857 45.4742 0.0000 172.7603 80 H 4.5960 7.8482 117.7578 54.4624 29.3167 175.5546 81 S 3.8605 8.6061 120.2444 60.7968 64.0890 174.3262 82 T 4.9114 7.6097 116.0214 61.7863 72.0328 172.8638 83 Y 4.8976 8.2668 123.1142 55.9500 42.3836 173.0787 84 Y 4.9291 9.0781 115.3980 56.2130 42.3107 175.2537 85 I 5.0213 8.6664 122.9639 59.9562 39.8913 174.5069 86 Y 4.9100 9.3386 126.3847 57.5543 39.5570 174.8409 87 V 4.5867 9.1784 124.4644 61.3949 33.5713 174.4280 88 I 4.9406 8.4368 128.6734 59.1939 40.3303 175.2089 89 A 4.5571 8.7886 129.2188 51.8111 19.1608 177.2981 90 T 4.2387 8.0189 110.2331 61.8878 69.9766 173.7458 91 A 4.6333 8.1336 123.8070 50.4903 22.8461 174.8616 92 P 4.3793 0.0000 0.0000 63.3712 31.0974 177.1690 93 N 4.5201 7.6163 115.6715 53.5838 38.6860 173.9943 94 M 4.9835 7.4619 120.3605 53.8836 34.5704 174.7481 95 F 5.0676 9.1349 121.8606 55.3800 43.0350 174.2792 96 N 4.7491 8.8401 121.7721 53.0416 39.0556 175.6283 97 V 3.6481 8.8199 127.1976 66.1094 32.2614 177.9220 98 N 4.4415 8.3882 116.8999 56.5185 38.0704 177.0000 99 D 4.4684 8.2312 119.5735 57.2321 41.0128 178.6353 100 V 4.0303 7.8319 117.8821 65.7036 32.0366 177.4790 101 L 4.6727 8.7776 117.5256 54.6859 42.2727 178.2096 102 G 3.8944 8.9322 108.7939 46.4657 0.0000 176.6636 103 A 3.9547 8.8031 125.6954 54.2636 18.2426 177.6413 104 Y 4.5493 7.5042 112.1591 57.5605 38.2622 175.7156 105 S 4.2813 8.0395 116.6022 57.8288 62.5468 172.5079 106 P 4.3899 0.0000 0.0000 65.4731 32.2277 176.3727 107 H 4.9571 7.7477 115.3351 53.5088 29.4653 172.0900 108 P 4.4900 0.0000 0.0000 65.6639 31.9956 179.3710 109 D 4.4864 8.0386 117.6758 56.8055 40.9082 177.2741 110 E 4.0440 8.1109 117.7906 57.2959 29.9695 176.6070 111 Q 3.3977 7.6256 116.7740 56.8173 27.0847 173.8012 112 E 4.5740 7.7872 115.9872 56.1709 31.8554 177.3634 113 V 4.8856 8.6579 122.5402 61.3135 34.4642 174.3600 114 S 5.3344 9.2918 123.7688 56.6991 66.4584 172.8977 115 A 5.0258 9.0360 126.5875 50.2892 20.3871 176.1041 116 L 3.1681 8.8450 126.8411 56.5004 42.2384 177.3860 117 G 3.7223 8.7686 115.9244 45.0418 0.0000 173.2271 118 G 3.7490 7.9859 105.6164 44.4696 0.0000 172.6074 119 I 4.3576 8.1391 119.5016 58.5470 38.2893 174.0095 120 P 4.8119 0.0000 0.0000 62.5198 32.2165 176.9906 121 Y 4.3449 8.9285 123.1469 61.0350 39.0713 179.0785 122 S 4.7523 8.2100 112.7303 60.2749 63.5007 175.1280 123 Q 3.0827 8.1141 121.3716 56.4472 29.0636 174.8105 124 I 4.5710 7.3802 118.9549 60.7014 37.3893 175.0321 125 Y 2.9030 8.9945 128.7172 58.5402 39.0551 175.8459 126 G 3.5543 7.1884 105.2760 45.7974 0.0000 170.5487 127 W 5.5519 6.8393 114.4164 55.5757 31.7076 173.4332 128 Y 5.0463 9.2950 122.2001 57.3604 40.1472 175.5754 129 R 4.3652 8.6186 122.4186 55.7681 31.9039 175.4789 130 V 4.3344 8.3436 125.8985 61.3361 33.9735 174.5730 *131 H 4.9353 8.5955 127.2868 53.3845 30.6792 170.9402 132 F 3.8862 9.1124 124.7262 57.6731 36.8740 177.0244 133 G 4.1603 8.3776 107.2565 44.4623 0.0000 173.9126 134 V 4.0373 7.4609 120.7403 60.7203 31.9328 174.7928 135 L 4.0390 8.3573 130.1281 54.9393 42.2634 175.5914 136 D 4.5361 8.7033 129.3510 54.2871 41.7192 176.8485 *137 E 4.0857 8.7096 122.0361 57.6790 30.1815 173.7474 138 Q 4.1333 8.4839 119.3118 56.2061 29.0527 174.7315 139 L 3.7016 8.2666 128.4190 54.4689 43.0726 175.3631 140 H 4.4183 8.5148 124.4018 54.8843 30.1619 174.6796 141 R 4.0695 7.9792 122.0858 54.8003 31.7894 175.3461 142 N 4.3807 7.9446 122.2499 52.5514 39.4903 176.3702 143 R 4.0417 8.8766 125.7707 58.8188 30.8411 177.9499 144 G 3.7955 8.2300 105.8170 46.9461 0.0000 172.9934 145 Y 5.0857 7.5743 121.0359 56.9688 39.5325 174.8951 146 R 4.2989 7.5043 123.1975 53.7155 32.2669 175.7536 147 D 4.2314 8.2362 124.5132 56.6228 41.2012 178.0346 148 R 3.8919 7.8214 116.9428 59.3153 29.9960 177.8698 149 Y 4.0780 7.8456 118.6601 61.1401 38.8653 177.6798 150 Y 4.0844 7.9054 117.0578 60.4411 37.6921 177.6782 151 S 4.6410 8.3987 116.8624 59.5349 62.8228 174.7821 152 N 4.6299 7.5155 117.9505 52.9439 39.1561 174.0045 153 L 4.7486 6.9323 118.4366 53.7375 44.6964 174.5891 154 D 5.1387 8.0867 119.2296 52.0313 45.1497 175.1286 155 I 4.5904 8.5015 112.7046 60.2871 38.4254 175.7364 156 A 4.2377 8.0350 125.4255 50.9528 18.8620 176.2141 157 P 4.3117 0.0000 0.0000 62.2371 32.3524 177.3548 158 A 3.8334 8.6249 121.5982 55.3517 17.9022 179.9795 159 A 3.4998 7.6672 117.8277 54.9216 18.5148 178.6270 160 D 4.7159 8.0721 115.6457 55.6232 41.3964 177.7358 161 G 3.4721 7.9586 105.9038 45.1399 0.0000 175.1406 162 Y 4.6657 7.5728 118.9620 61.4127 37.7215 178.6631 163 G 4.0758 8.2809 104.0298 46.1520 0.0000 174.4297 164 L 4.6262 7.8344 120.3817 54.5321 41.9884 177.8039 165 A 3.7326 7.9141 124.2366 53.3671 17.8621 180.0174 166 G 3.8300 8.1456 102.7522 45.2998 0.0000 173.4612 167 F 3.7801 6.8564 117.2743 56.5781 39.4938 173.5837 168 P 4.6354 0.0000 0.0000 61.7755 32.2213 175.7185 169 P 4.3532 0.0000 0.0000 65.9558 31.0849 177.6572 170 E 4.3039 8.0920 113.7267 56.6995 30.2691 176.0090 171 H 4.0354 8.3256 121.8923 55.6362 30.5893 176.2822 172 R 3.7912 8.0192 122.4941 58.8270 29.6468 178.4831 173 A 3.6447 7.1218 121.4650 54.6886 18.1603 179.3067 174 W 4.6005 7.6498 117.2951 59.7783 29.1713 178.2831 175 R 4.6878 7.8889 115.1808 55.7242 29.5084 180.9087 176 E 4.9567 8.2997 117.6711 55.2730 32.8317 175.2520 177 E 4.3649 8.4975 120.2411 55.6071 30.3314 176.0823 178 P 4.2035 0.0000 0.0000 63.8768 31.6921 178.3887 179 W 4.3599 7.5946 119.1235 59.6260 28.7795 177.4926 180 I 4.3379 8.0681 120.0800 63.8777 37.4023 176.7534 181 H 4.6910 7.6651 113.6985 56.9061 28.5875 175.3445 182 H 5.0049 8.6585 116.9188 54.8436 30.5966 172.9203 183 A 3.8529 8.1998 123.5050 51.3127 18.8186 176.3688 184 P 4.2615 0.0000 0.0000 61.4982 32.0771 174.1366 185 P 4.3178 0.0000 0.0000 64.6604 31.4851 175.9507 186 G 4.0208 8.9067 111.2900 45.7535 0.0000 174.4659 187 C 4.0303 7.5203 117.3218 57.3974 40.4698 174.1421 188 G 3.7567 8.3374 111.8751 46.6334 0.0000 174.1683 *198 T 4.2099 7.5544 113.3147 61.3629 69.2962 175.9841 199 C 4.1169 8.1914 120.4223 60.7233 41.4417 175.0113 200 D 4.2761 8.2026 122.2446 57.7796 40.4268 179.1638 201 E 4.0028 8.0735 118.6122 61.1319 29.7906 182.4001 202 K 4.3324 8.0576 121.0814 58.6368 32.1213 179.5900 203 T 3.8598 8.1360 116.4693 66.6722 68.3173 176.2897 204 Q 3.9830 8.0916 121.4986 59.3351 28.7793 178.5190 205 S 4.1443 8.1698 115.2351 61.3173 62.9589 176.4153 206 L 4.1629 8.3090 123.0340 57.5230 41.3546 179.6286 207 G 3.6112 8.2271 105.7421 47.8212 0.0000 175.9044 208 V 3.6520 8.1133 121.1460 65.4934 31.5055 178.0675 209 K 3.9572 8.3105 119.4294 59.4394 32.0746 178.4276 210 F 4.0261 8.4723 121.0613 61.3576 39.2822 176.9116 211 L 4.1503 8.3678 119.9037 58.1426 41.9198 178.2605 212 D 4.3476 8.3276 118.0969 57.5576 40.9465 178.1956 213 E 3.9152 8.0850 117.8302 59.3447 29.7313 178.4733 214 Y 3.9303 8.0058 119.5893 60.8717 38.8643 178.1708 215 Q 3.9518 8.6072 119.2645 58.8851 28.7342 178.8757 216 S 4.0187 7.9370 116.4185 61.5198 62.7866 176.9367 217 K 3.8526 7.5993 121.0944 59.2404 31.6777 179.6938 218 V 3.2804 7.1573 118.0608 65.5929 31.4448 178.0044 219 K 2.9724 7.9067 118.5805 59.0898 31.8644 179.0826 220 R 3.7454 7.6464 118.7878 59.4090 30.0167 178.3015 221 Q 3.5747 7.5261 118.9882 59.1363 28.9826 178.2506 222 I 3.3415 7.3123 120.8697 64.3876 36.9243 178.6355 223 F 4.3224 7.6501 117.3484 60.2258 38.9380 177.8293 224 S 4.3791 8.1468 115.4561 61.4583 62.7553 176.6724 225 G 3.7055 7.8894 108.2700 48.2018 0.0000 175.2259 226 Y 4.5574 7.9886 117.5892 59.8674 37.5952 177.5760 227 Q 4.7879 8.0462 118.3414 55.4931 29.1400 176.4463 228 S 4.6120 7.7727 113.5083 58.5665 63.3593 174.6697 229 D 4.5267 7.8865 120.6039 55.0654 39.9263 176.9184 230 I 3.6334 7.2425 121.3479 61.4621 37.3043 174.8267 231 D 4.7974 8.4048 124.4685 52.4808 42.6351 175.3624 232 T 4.0134 8.6081 124.3603 67.0140 68.8256 176.3926 233 H 4.0557 8.5095 121.7131 59.9062 29.8728 176.6958 234 N 4.5547 8.1600 114.9316 53.9738 37.7084 176.9578 235 R 4.2631 7.6625 116.9249 56.7824 29.5861 175.1756 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 N 8.51 4.82 0.00 2.96 3.06 0.00 0.00 5.82 7.19 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 2 D 8.41 4.63 0.00 2.88 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 3 D 9.24 4.55 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.56 4.66 0.00 1.35 1.14 0.00 1.35 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.22 0.99 7.81 5 L 8.73 5.00 0.00 1.45 1.55 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.93 5.40 0.00 2.99 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 7 R 9.23 4.97 0.00 2.00 1.91 0.00 3.36 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 8 A 8.93 5.07 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 9 D 9.27 4.73 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.73 4.28 0.00 3.83 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.16 4.05 0.00 1.99 1.95 0.00 3.32 0.00 0.00 3.49 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 12 P 0.00 4.00 0.00 2.06 2.20 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 13 P 0.00 3.65 0.00 1.56 0.49 0.00 2.68 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 0.99 0.44 0.00 14 D 7.74 4.24 0.00 2.60 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 15 E 7.94 3.86 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 16 I 7.61 3.56 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.04 0.88 0.00 0.00 17 K 8.07 2.96 0.00 1.56 1.75 0.00 1.53 0.00 0.00 1.35 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.55 1.41 7.81 18 Q 7.73 3.89 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 19 S 8.00 4.45 0.00 3.87 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 20 G 7.28 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 6.93 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 22 L 8.31 4.26 0.00 1.65 1.59 0.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.12 4.73 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 24 P 0.00 4.61 0.00 2.14 1.97 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 25 R 8.60 3.63 0.00 1.07 1.88 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.00 26 G 7.78 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 27 Q 7.86 4.01 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.49 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 28 S 8.15 4.02 0.00 3.67 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 Q 8.03 4.19 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 37 M 8.42 4.33 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 38 N 8.61 4.50 0.00 2.79 2.75 0.00 0.00 6.70 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 39 I 8.69 4.58 1.88 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 1.11 0.97 0.78 0.00 0.00 40 N 9.22 4.77 0.00 2.73 2.69 0.00 0.00 6.47 6.99 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 41 L 8.19 3.14 0.00 1.32 1.50 0.13 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.83 4.04 0.00 2.80 2.95 0.00 0.00 0.00 0.00 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 0.00 119 I 8.14 4.36 1.87 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 1.31 0.77 0.91 0.00 0.00 120 P 0.00 4.81 0.00 2.33 2.09 0.00 3.95 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 121 Y 8.93 4.34 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.21 4.75 0.00 4.28 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 0.00 123 Q 8.11 3.08 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.92 0.00 0.00 0.00 0.00 0.00 2.18 1.73 0.00 124 I 7.38 4.57 2.06 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 0.87 1.32 0.00 0.00 125 Y 8.99 2.90 0.00 2.31 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 0.00 126 G 7.19 3.55 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 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8.36 4.04 0.00 1.29 1.44 0.58 0.91 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 0.00 136 D 8.70 4.54 0.00 2.66 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 *137 E 8.71 4.09 0.00 2.03 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 2.23 1.86 0.00 138 Q 8.48 4.13 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.16 0.00 139 L 8.27 3.70 0.00 1.30 1.34 0.23 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.51 4.42 0.00 2.49 2.87 0.00 5.85 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 0.00 141 R 7.98 4.07 0.00 1.38 1.38 0.00 3.36 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.30 0.00 142 N 7.94 4.38 0.00 2.41 2.62 0.00 0.00 7.12 7.52 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 0.00 143 R 8.88 4.04 0.00 1.93 2.04 0.00 3.28 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 144 G 8.23 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 0.00 0.00 0.00 145 Y 7.57 5.09 0.00 3.10 2.91 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 0.00 146 R 7.50 4.30 0.00 1.77 1.70 0.00 3.27 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 147 D 8.24 4.23 0.00 3.00 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 0.00 148 R 7.82 3.89 0.00 1.82 1.98 0.00 3.27 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 1.65 1.69 0.00 149 Y 7.85 4.08 0.00 2.82 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 0.00 150 Y 7.91 4.08 0.00 3.23 3.05 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 0.00 151 S 8.40 4.64 0.00 3.98 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 0.00 152 N 7.52 4.63 0.00 2.73 2.78 0.00 0.00 6.96 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 0.00 153 L 6.93 4.75 0.00 1.75 1.48 0.23 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.09 5.14 0.00 2.48 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 0.00 155 I 8.50 4.59 1.94 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 1.20 0.99 0.88 0.00 0.00 156 A 8.03 4.24 0.90 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 0.00 157 P 0.00 4.31 0.00 2.21 2.18 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.97 0.00 158 A 8.62 3.83 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 0.00 159 A 7.67 3.50 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 0.00 160 D 8.07 4.72 0.00 3.05 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 0.00 161 G 7.96 3.47 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 0.00 162 Y 7.57 4.67 0.00 2.94 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.28 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 0.00 164 L 7.83 4.63 0.00 1.46 1.50 0.45 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.91 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.15 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 0.00 0.00 0.00 167 F 6.86 3.78 0.00 2.07 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 0.00 0.00 0.00 168 P 0.00 4.64 0.00 2.46 2.06 0.00 3.55 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 169 P 0.00 4.35 0.00 2.23 2.31 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 170 E 8.09 4.30 0.00 2.09 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 0.00 2.24 2.22 0.00 171 H 8.33 4.04 0.00 3.07 2.71 0.00 5.59 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 0.00 172 R 8.02 3.79 0.00 1.98 1.98 0.00 3.15 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.21 0.00 173 A 7.12 3.64 -1.12 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 0.00 0.00 174 W 7.65 4.60 0.00 3.31 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 0.00 175 R 7.89 4.69 0.00 1.83 1.80 0.00 3.20 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 176 E 8.30 4.96 0.00 2.37 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 2.27 2.44 0.00 177 E 8.50 4.36 0.00 1.87 1.75 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 2.24 2.28 0.00 178 P 0.00 4.20 0.00 1.05 1.57 0.00 2.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 179 W 7.59 4.36 0.00 3.72 3.35 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 0.00 180 I 8.07 4.34 2.03 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 1.55 2.00 0.65 0.00 0.00 181 H 7.67 4.69 0.00 2.95 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 H 8.66 5.00 0.00 3.50 3.46 0.00 5.82 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 0.00 183 A 8.20 3.85 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 0.00 184 P 0.00 4.26 0.00 1.93 1.87 0.00 2.33 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.15 0.00 185 P 0.00 4.32 0.00 1.98 1.98 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 186 G 8.91 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 C 7.52 4.03 0.00 1.93 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 0.00 188 G 8.34 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 *198 T 7.55 4.21 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 1.20 0.00 0.00 199 C 8.19 4.12 0.00 2.98 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 0.00 200 D 8.20 4.28 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.07 4.00 0.00 1.97 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 2.31 1.97 0.00 202 K 8.06 4.33 0.00 1.95 1.83 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.21 7.81 203 T 8.14 3.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 204 Q 8.09 3.98 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 205 S 8.17 4.14 0.00 4.12 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 0.00 206 L 8.31 4.16 0.00 1.98 1.81 0.94 0.83 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 0.00 207 G 8.23 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 V 8.11 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 1.01 0.00 0.00 1.04 0.00 0.00 209 K 8.31 3.96 0.00 2.13 2.04 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.32 7.81 210 F 8.47 4.03 0.00 3.30 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 0.00 211 L 8.37 4.15 0.00 1.92 1.86 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.33 4.35 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.08 3.92 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 214 Y 8.01 3.93 0.00 2.91 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 0.00 215 Q 8.61 3.95 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 216 S 7.94 4.02 0.00 3.98 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 0.00 217 K 7.60 3.85 0.00 1.59 1.69 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.28 7.81 218 V 7.16 3.28 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 1.08 0.00 0.00 0.71 0.00 0.00 219 K 7.91 2.97 0.00 1.81 1.58 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.93 1.34 7.81 220 R 7.65 3.75 0.00 1.83 1.94 0.00 3.03 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 221 Q 7.53 3.57 0.00 1.35 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 222 I 7.31 3.34 1.25 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 1.36 0.49 0.41 0.00 0.00 223 F 7.65 4.32 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 S 8.15 4.38 0.00 3.88 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 0.00 225 G 7.89 3.71 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 0.00 0.00 0.00 226 Y 7.99 4.56 0.00 3.11 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 0.00 227 Q 8.05 4.79 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 228 S 7.77 4.61 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 D 7.89 4.53 0.00 2.81 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 0.00 230 I 7.24 3.63 1.88 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 1.18 0.61 0.91 0.00 0.00 231 D 8.40 4.80 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 T 8.61 4.01 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 1.22 0.00 0.00 233 H 8.51 4.06 0.00 3.10 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 N 8.16 4.55 0.00 2.78 2.73 0.00 0.00 6.86 8.63 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 0.00 235 R 7.66 4.26 0.00 1.85 1.86 0.00 3.06 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.