NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6025 8.1633 118.3463 55.3655 33.8234 173.1723 2 R 4.9766 8.7303 116.8937 54.1185 32.9939 173.8436 3 I 4.8697 9.6629 126.3258 59.3461 40.6648 174.0807 4 L 4.8228 8.7124 130.2437 54.1792 43.6025 175.2453 5 V 4.7694 8.9440 126.9187 61.4500 34.0925 174.2936 6 T 4.8819 9.0384 122.0235 60.8714 71.8035 170.9998 7 N 4.9485 8.2192 118.5729 52.4982 39.4359 173.2071 8 D 4.8185 8.7849 115.8943 55.0712 42.7044 177.1065 9 D 4.4630 8.1442 117.0809 54.5836 41.6588 177.1266 10 G 4.4588 7.9052 104.2039 45.6135 0.0000 174.3262 11 I 3.5732 7.9260 118.8858 63.2521 37.8492 175.8249 12 Y 4.9713 7.6676 115.2158 58.1606 38.5675 174.9826 13 S 4.5538 8.1074 116.7710 57.0498 63.3271 173.3383 14 P 4.5473 0.0000 0.0000 65.6479 31.1030 178.7092 15 G 3.1990 8.0264 105.4147 46.8439 0.0000 175.2195 16 L 4.1757 7.2527 122.9793 57.2604 42.0549 179.1213 17 W 4.0876 7.4502 117.8792 59.0627 29.0826 178.4055 18 A 3.9375 7.8714 121.4896 54.9520 17.7341 179.4253 19 L 3.6562 7.4811 118.1888 57.9674 41.9572 178.8842 20 A 3.5269 7.3285 119.8986 54.7831 18.4698 178.9937 21 E 4.3701 8.0683 117.5787 59.4838 29.8409 178.7697 22 A 4.0273 8.0138 120.5778 55.2858 18.6194 179.3591 23 A 4.2964 8.1692 118.6194 54.3604 18.2170 179.5674 24 S 4.5713 7.7445 113.4658 60.3691 63.2524 175.8997 25 Q 4.0869 8.0015 120.4775 57.1349 28.6815 176.1930 26 F 4.6601 7.7975 116.4246 56.4098 40.7625 174.6156 27 G 4.0523 7.2698 106.8084 45.9797 0.0000 171.7747 28 E 4.4441 8.8329 120.2220 55.7160 30.7144 176.7124 29 V 4.6724 7.9591 123.0225 59.6791 33.9930 174.7245 30 F 4.6047 8.4742 123.3819 55.3565 41.9585 174.3378 31 V 4.6968 8.3445 122.8622 61.4280 33.8911 174.8427 32 A 5.3111 8.8570 128.5306 50.7447 20.5860 174.8499 33 A 4.7893 8.8658 122.9193 50.0123 22.6747 173.9706 34 P 5.7169 0.0000 0.0000 61.6169 32.2308 175.9071 35 D 4.6637 8.7639 123.9060 53.9184 40.2322 176.5148 *47 I 3.8119 7.5907 119.1429 62.0530 38.2095 174.6644 48 A 3.7210 8.6059 123.4894 52.9905 15.0374 175.8270 49 H 4.9737 7.6661 113.2766 53.0253 31.9048 172.5833 50 P 4.4605 0.0000 0.0000 62.6125 32.1619 176.0162 51 V 4.3355 7.8804 119.0951 61.5907 34.5324 174.1949 52 R 4.5352 8.4339 125.5372 54.9345 32.4205 175.2242 53 A 5.0741 7.6107 122.9630 50.8609 22.3924 175.0800 54 Y 5.1875 9.0949 119.9405 55.0534 41.9599 173.4677 55 P 4.1733 0.0000 0.0000 63.8089 31.6243 174.9373 56 H 5.0912 8.7749 122.4331 53.7598 33.0284 171.1634 57 P 4.4246 0.0000 0.0000 61.2514 32.6265 174.0309 *63 P 3.8154 0.0000 0.0000 62.6608 31.2953 175.4471 64 H 4.6923 8.0271 122.3725 53.8768 32.0674 173.3796 65 F 4.8861 7.8978 123.3246 54.8024 42.7955 173.0311 66 P 4.7195 0.0000 0.0000 63.1714 32.6280 175.0449 67 A 5.8155 8.1125 121.5993 52.6934 22.8659 174.6812 68 Y 5.1472 8.5293 115.5551 56.3965 42.8642 174.2784 69 R 4.9082 9.3963 124.0584 55.0484 32.3050 175.0326 70 V 4.6135 9.0194 126.4036 60.3550 33.9885 176.0218 71 R 4.4916 8.4306 132.8257 54.9152 27.0912 174.4597 72 G 4.0436 7.1653 107.5942 44.2954 0.0000 171.6735 73 T 4.3381 8.4290 110.8299 60.2685 71.3735 173.6529 74 P 4.2521 0.0000 0.0000 65.6166 31.0655 178.8095 75 A 4.0266 7.9510 119.2117 55.2908 18.2672 179.2893 76 D 4.3744 7.8899 117.5133 57.6786 40.8970 178.6964 77 C 4.1322 8.2688 117.3294 62.7010 28.0921 176.4445 78 V 3.6153 7.7951 119.0604 65.9921 31.1380 177.8812 79 A 4.1077 7.9345 120.3665 55.2371 18.1776 179.6866 80 L 3.8985 8.3073 117.7636 57.9183 41.6936 179.7265 81 G 3.8217 8.5519 105.9721 48.2077 0.0000 175.6315 82 L 3.9678 7.8688 120.0995 57.4775 41.6298 178.7590 83 H 4.2448 7.6036 117.5045 58.8916 29.9085 177.0979 84 L 3.7525 8.1542 120.1817 57.0145 42.0787 178.6629 85 F 4.5027 8.2225 117.0928 58.9016 39.1596 176.3550 86 G 3.5777 7.7894 109.3104 45.9206 0.0000 171.2791 87 P 4.4633 0.0000 0.0000 63.1518 31.7974 175.7667 88 V 4.6698 7.8944 111.2168 60.2476 35.4994 175.0315 89 D 4.8710 8.8411 121.2196 54.9370 42.2550 176.5801 90 L 4.7653 7.7260 119.6761 53.6743 45.9479 173.8940 91 V 4.9615 8.7569 125.4841 61.1134 34.2858 174.1349 92 L 5.4408 8.8926 127.0334 52.9985 45.3646 175.3194 93 S 4.9485 9.6408 117.4211 56.8563 65.8834 173.2288 94 G 3.7099 8.4309 112.7910 43.8514 0.0000 172.0479 95 V 4.3046 8.1604 121.2395 62.5010 32.0064 176.0659 96 N 4.8186 9.9409 126.3764 53.1833 39.0731 176.0160 97 L 4.2495 8.3244 121.1667 55.9046 42.3470 177.1957 *111 V 3.7300 7.5438 117.7816 62.1546 32.4719 175.2160 112 A 4.1742 8.3426 128.6183 51.4710 20.2222 177.5014 113 A 3.8906 8.7137 125.7375 55.4828 18.3794 180.0692 114 A 3.9685 8.0410 118.2962 55.4622 18.4935 179.8034 115 K 3.9287 8.0174 116.3353 59.5055 31.9311 179.0808 116 Q 3.7645 8.3562 119.1989 59.1132 29.4135 178.0846 117 G 4.0309 8.6575 107.0365 48.3966 0.0000 174.8942 118 Y 4.4775 8.2237 123.6257 59.7567 38.5836 177.9107 119 L 4.0753 8.2461 119.2769 56.8789 41.7146 178.3144 120 F 5.0340 7.5208 115.5385 57.3654 39.2479 176.5315 121 G 3.8352 7.9901 107.8672 44.7325 0.0000 173.7796 122 L 4.5071 7.3802 119.2965 53.6239 44.0714 176.2730 123 S 4.5747 8.3182 116.1908 58.7611 64.3231 173.1310 124 A 5.6967 8.5753 121.7892 52.1460 22.9715 175.2511 125 A 5.7955 8.8865 119.9030 50.3636 23.2349 174.8695 126 A 5.2956 8.6562 121.3367 50.1538 22.1463 175.2540 127 F 5.3154 9.8336 121.2396 55.6493 42.0797 174.7738 128 S 5.0907 9.2132 117.8533 56.6812 66.8647 173.3957 129 V 4.7805 9.0155 122.7297 58.2074 32.8954 173.7712 130 P 4.1391 0.0000 0.0000 62.4059 31.1150 175.4313 *134 E 4.0488 8.4269 123.8127 55.5186 30.4901 175.1208 135 V 4.0372 8.1000 124.2415 59.8926 32.6757 174.2129 136 P 4.0098 0.0000 0.0000 62.4262 31.9074 176.1511 137 D 4.5300 8.1307 120.8951 53.1325 41.4782 176.5913 138 F 4.5500 8.3409 124.8896 58.1471 38.9305 177.0690 139 A 4.2914 8.6077 122.2641 55.0137 18.8375 179.9547 140 G 3.7255 8.3817 102.2904 47.5723 0.0000 175.2478 141 L 4.5477 7.9421 120.6057 56.6843 41.8313 178.8412 142 R 4.0056 7.8566 119.7629 59.2873 29.8616 176.5955 143 P 4.2179 0.0000 0.0000 65.5653 31.0406 178.2757 144 W 4.2536 8.5728 119.3541 59.2967 28.9759 178.5757 145 L 4.2264 8.1177 118.6690 57.7804 41.1131 179.1892 146 L 4.2012 8.0995 118.8634 58.1016 41.5374 179.6400 147 R 3.8570 8.2406 118.6409 59.6160 29.8290 178.7771 148 T 3.5896 8.2754 115.6752 66.4865 68.4811 176.5145 149 L 3.8591 8.2620 121.3059 57.8944 41.3516 179.2600 150 E 3.8525 7.8601 117.2344 60.0744 29.8149 179.5371 151 T 3.9690 7.3986 115.4381 66.3011 68.3838 176.9296 152 L 3.8343 7.9720 121.2916 57.7489 41.5671 179.2943 153 L 4.3020 7.9353 116.3849 56.4325 41.5902 178.4610 154 R 4.4175 7.3642 116.5862 55.3492 30.9911 176.4987 155 L 4.2403 7.0850 119.3348 53.8090 42.3857 176.7261 156 E 4.1277 8.5821 121.5501 56.7307 29.9212 177.2375 157 R 4.6134 8.5272 122.8879 54.9931 31.4083 174.2616 158 P 5.4120 0.0000 0.0000 61.6197 33.0976 174.6579 159 F 5.2643 8.0556 114.5909 55.4233 42.3066 173.0034 160 L 5.1014 8.4149 120.2279 53.5784 45.1968 174.8975 161 V 4.9432 9.1443 126.1079 61.1845 35.3649 173.3764 162 N 5.0601 9.3842 126.9172 52.2009 40.7163 173.4319 163 V 4.6215 8.9713 127.6465 61.1370 33.8570 173.8165 164 N 5.4682 9.3491 126.1256 51.5027 41.3674 173.5878 165 L 4.9914 8.5437 123.9834 52.1768 44.8583 174.9574 166 P 4.5759 0.0000 0.0000 61.5590 32.6987 176.3104 167 L 4.0167 8.2496 118.3895 57.2557 41.5653 177.9583 168 R 4.3849 7.2445 116.7809 53.1520 30.5900 173.0358 169 P 4.2177 0.0000 0.0000 62.1148 32.1969 177.2293 170 K 4.4780 7.5406 115.5315 55.5489 33.7841 175.8012 171 G 4.4228 6.1107 106.1732 47.0361 0.0000 171.6243 172 F 5.4665 9.1349 121.0428 56.4872 42.5076 173.9412 173 L 4.6632 7.9913 124.7849 52.5417 45.6576 175.6914 174 W 4.7922 8.6904 123.6102 56.7061 29.9975 175.5726 175 T 4.8821 9.1608 113.9221 60.3675 72.7280 172.6043 176 R 4.8459 8.2221 117.9052 54.2117 32.5896 175.4990 177 Q 4.4836 8.4877 118.8357 56.1431 29.7273 177.3416 178 S 4.4188 8.7262 119.0167 56.6949 60.9720 174.5594 179 V 3.7768 7.9051 125.4148 65.2566 31.5181 177.6544 180 R 4.0339 7.9975 118.2911 57.9334 30.0078 176.4351 181 A 4.4329 7.5075 119.7172 53.0489 18.3813 177.3736 182 Y 4.8428 7.4564 114.4170 58.8691 40.0365 175.3573 183 E 4.5254 7.8394 120.5541 56.1204 29.7744 176.6161 184 G 4.4709 7.9317 104.2740 46.1970 0.0000 174.4043 185 V 4.5209 8.4886 114.2969 60.2895 34.1398 175.2148 186 V 5.0691 8.2926 116.0027 60.2221 33.2774 175.3730 187 I 4.7243 9.0299 127.1787 58.5655 39.3663 173.8111 188 P 4.5115 0.0000 0.0000 63.3791 32.2579 175.2807 189 G 3.7111 7.0696 106.5512 45.9979 0.0000 171.9491 190 E 5.1208 8.4571 118.5981 54.2249 33.4027 175.6543 191 D 4.9661 9.6179 123.1137 52.1830 41.0058 176.1511 192 P 4.2514 0.0000 0.0000 66.1639 31.6270 176.4376 193 M 4.3443 8.1922 116.5875 54.9757 31.8910 176.8783 194 G 3.8871 8.6471 106.1368 45.8115 0.0000 174.2022 195 R 4.4061 8.3798 120.7409 54.5803 31.0777 174.7701 196 P 4.7305 0.0000 0.0000 63.0236 32.4929 175.0525 197 F 4.5207 7.2336 114.0663 56.7248 41.5640 171.9004 198 Y 4.9206 8.6536 116.5742 55.9717 40.6091 175.5579 199 W 4.7732 9.4803 124.6985 56.2749 30.7752 175.0256 200 F 5.5138 9.3787 127.3295 56.8186 40.1972 174.3385 201 A 4.9724 8.8836 128.2350 49.1012 22.2106 173.9659 202 P 4.4365 0.0000 0.0000 62.3210 32.2386 175.8738 203 R 4.2467 8.1084 117.6485 54.4555 30.9819 175.1135 204 P 4.2489 0.0000 0.0000 62.9423 31.6394 177.1658 205 L 4.1557 8.4612 120.9041 57.6356 40.4999 178.9225 206 K 3.9320 7.8752 120.2443 59.1039 32.2798 176.6603 207 E 4.2319 8.3861 117.6011 55.7171 29.6781 175.9070 208 A 3.9942 7.6750 121.1840 53.2912 18.7202 177.2351 209 E 4.1198 8.7751 124.2268 55.3542 30.5169 175.6191 210 E 2.5400 8.2528 127.1471 57.3496 30.0830 176.7077 211 G 3.8474 8.6040 113.7235 45.3604 0.0000 172.5258 212 T 4.9692 7.3667 108.9942 59.1092 72.7000 174.4150 213 D 4.9117 8.4672 124.5747 56.5462 39.2199 179.5361 214 R 3.8485 7.9189 119.4471 58.5997 30.1389 178.1507 215 W 3.9293 8.0540 128.0372 60.1170 30.7260 177.7749 216 A 4.0980 8.3947 120.8890 55.4660 18.0232 179.8477 217 V 3.7246 8.1003 117.6502 65.3913 31.2899 178.0793 218 A 3.8732 7.4308 119.3939 54.9600 18.2471 178.7455 219 Q 4.0248 7.3307 113.5170 55.6563 28.8463 176.8338 220 G 3.5568 7.5596 107.9311 45.6469 0.0000 173.0468 221 F 4.9799 8.1514 118.2181 55.0732 41.7444 175.6345 222 V 3.7880 8.6659 122.7872 63.0036 32.9198 174.5787 223 S 4.9045 9.4306 122.5757 56.2479 65.1713 172.3764 224 A 4.9115 8.2062 128.1772 50.4368 21.7533 174.6808 225 T 5.3439 9.2198 120.2715 60.5455 71.0812 172.1374 226 P 4.9931 0.0000 0.0000 62.5407 32.3429 175.5694 227 L 4.8605 8.6286 123.0586 52.8622 45.1966 175.8551 228 R 4.4373 8.0738 119.0022 54.8948 33.2839 175.4546 229 L 4.3137 8.3848 127.1954 54.0533 41.0049 177.8765 230 D 4.5201 7.4896 116.9007 53.0103 43.2859 174.0069 231 L 4.4438 8.4809 125.8450 54.9212 41.9416 177.3418 232 T 3.8675 7.9811 117.2496 63.6852 68.9745 174.0996 233 D 4.6287 8.4128 126.1811 52.3355 40.6269 175.9457 234 E 3.9787 8.6625 128.1146 59.0951 29.9671 179.2136 235 T 4.0248 7.5849 107.8907 64.6209 68.7051 175.1101 236 R 4.2441 7.8521 118.2580 56.5317 30.4037 176.4313 237 L 4.3426 8.0935 124.3516 54.8064 42.0525 176.1439 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 8.16 4.60 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 2 R 8.73 4.98 0.00 1.92 2.25 0.00 3.18 0.00 0.00 3.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 3 I 9.66 4.87 1.80 0.00 0.00 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 1.15 0.89 0.93 0.00 0.00 4 L 8.71 4.82 0.00 1.89 1.62 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.94 4.77 1.79 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 0.57 0.00 0.00 0.73 0.00 0.00 6 T 9.04 4.88 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 7 N 8.22 4.95 0.00 2.63 2.73 0.00 0.00 5.84 8.06 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 8 D 8.78 4.82 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.14 4.46 0.00 2.65 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 10 G 7.91 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.93 3.57 1.64 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 -0.13 0.00 0.00 12 Y 7.67 4.97 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.11 4.55 0.00 3.91 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 14 P 0.00 4.55 0.00 2.32 2.20 0.00 3.78 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 15 G 8.03 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 0.00 0.00 0.00 16 L 7.25 4.18 0.00 1.61 1.31 0.49 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17 W 7.45 4.09 0.00 3.41 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.87 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.48 3.66 0.00 1.64 1.49 0.72 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.33 3.53 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.07 4.37 0.00 2.40 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 0.00 2.40 2.44 0.00 22 A 8.01 4.03 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 23 A 8.17 4.30 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 24 S 7.74 4.57 0.00 4.26 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.00 4.09 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.67 2.47 0.00 26 F 7.80 4.66 0.00 3.04 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 27 G 7.27 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 28 E 8.83 4.44 0.00 1.98 1.49 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 2.30 2.26 0.00 29 V 7.96 4.67 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 0.91 0.00 0.00 0.55 0.00 0.00 30 F 8.47 4.60 0.00 2.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.34 4.70 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 0.67 0.00 0.00 0.53 0.00 0.00 32 A 8.86 5.31 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 33 A 8.87 4.79 1.12 0.00 0.00 0.00 0.00 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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 2.12 2.16 0.00 75 A 7.95 4.03 1.37 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 0.00 0.00 0.00 76 D 7.89 4.37 0.00 2.96 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 77 C 8.27 4.13 0.00 3.21 3.16 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 78 V 7.80 3.62 2.34 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 1.20 0.00 0.00 1.08 0.00 0.00 79 A 7.93 4.11 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 80 L 8.31 3.90 0.00 1.82 1.60 0.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.55 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.87 3.97 0.00 1.71 1.68 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.38 3.73 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 0.00 0.00 0.00 141 L 7.94 4.55 0.00 1.79 1.91 0.67 1.29 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 0.00 142 R 7.86 4.01 0.00 2.09 2.15 0.00 3.23 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 143 P 0.00 4.22 0.00 1.88 2.14 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 144 W 8.57 4.25 0.00 3.64 3.37 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 0.00 145 L 8.12 4.23 0.00 1.99 1.71 1.25 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.10 4.20 0.00 1.99 1.86 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.24 3.86 0.00 1.74 1.91 0.00 3.40 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 148 T 8.28 3.59 4.69 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 1.37 0.00 0.00 149 L 8.26 3.86 0.00 1.57 0.55 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.86 3.85 0.00 2.19 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 2.50 2.85 0.00 151 T 7.40 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 152 L 7.97 3.83 0.00 1.80 1.67 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.94 4.30 0.00 1.60 1.77 0.98 0.62 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 0.00 154 R 7.36 4.42 0.00 1.94 1.99 0.00 3.18 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 155 L 7.08 4.24 0.00 1.36 1.46 0.43 0.88 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 0.00 156 E 8.58 4.13 0.00 2.00 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 2.32 2.29 0.00 157 R 8.53 4.61 0.00 1.87 1.91 0.00 3.27 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.73 0.00 158 P 0.00 5.41 0.00 1.97 1.95 0.00 3.38 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.71 0.00 159 F 8.06 5.26 0.00 3.07 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 0.00 160 L 8.41 5.10 0.00 0.65 0.90 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 161 V 9.14 4.94 2.30 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 1.00 0.00 0.00 1.18 0.00 0.00 162 N 9.38 5.06 0.00 2.78 2.65 0.00 0.00 6.38 7.62 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 0.00 163 V 8.97 4.62 1.06 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 0.54 0.00 0.00 0.46 0.00 0.00 164 N 9.35 5.47 0.00 2.53 2.62 0.00 0.00 6.40 6.57 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 0.00 165 L 8.54 4.99 0.00 1.65 1.49 1.13 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.58 0.00 1.96 2.03 0.00 3.56 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 167 L 8.25 4.02 0.00 1.55 1.67 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.24 4.38 0.00 1.60 1.74 0.00 3.32 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 169 P 0.00 4.22 0.00 0.52 1.39 0.00 3.39 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.22 0.00 170 K 7.54 4.48 0.00 1.71 1.60 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.52 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.72 0.75 7.81 171 G 6.11 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 0.00 0.00 0.00 0.00 172 F 9.13 5.47 0.00 3.15 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.99 4.66 0.00 1.35 1.30 0.51 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 174 W 8.69 4.79 0.00 3.16 3.01 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 0.00 175 T 9.16 4.88 4.32 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 1.18 0.00 0.00 176 R 8.22 4.85 0.00 1.84 2.06 0.00 2.75 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 177 Q 8.49 4.48 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.37 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 178 S 8.73 4.42 0.00 3.78 3.75 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 0.00 179 V 7.91 3.78 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 180 R 8.00 4.03 0.00 1.85 1.88 0.00 3.38 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 181 A 7.51 4.43 1.03 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 0.00 0.00 182 Y 7.46 4.84 0.00 3.09 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 0.00 183 E 7.84 4.53 0.00 2.05 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 0.00 2.37 2.32 0.00 184 G 7.93 4.47 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 0.00 185 V 8.49 4.52 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 0.96 0.00 0.00 1.01 0.00 0.00 186 V 8.29 5.07 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 0.47 0.00 0.00 0.78 0.00 0.00 187 I 9.03 4.72 2.14 0.00 0.00 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 1.38 0.93 1.05 0.00 0.00 188 P 0.00 4.51 0.00 1.99 2.19 0.00 3.93 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 2.03 2.05 0.00 189 G 7.07 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 0.00 190 E 8.46 5.12 0.00 1.77 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 2.01 2.10 0.00 191 D 9.62 4.97 0.00 2.68 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 0.00 192 P 0.00 4.25 0.00 2.22 2.25 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 193 M 8.19 4.34 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 194 G 8.65 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 0.00 195 R 8.38 4.41 0.00 2.29 1.88 0.00 3.13 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 196 P 0.00 4.73 0.00 1.82 1.88 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 197 F 7.23 4.52 0.00 2.91 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 0.00 198 Y 8.65 4.92 0.00 2.91 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 0.00 199 W 9.48 4.77 0.00 3.53 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 0.00 200 F 9.38 5.51 0.00 3.04 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 0.00 201 A 8.88 4.97 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 0.00 202 P 0.00 4.44 0.00 2.10 1.99 0.00 3.71 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 1.92 1.92 0.00 203 R 8.11 4.25 0.00 1.79 1.88 0.00 3.40 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 204 P 0.00 4.25 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 205 L 8.46 4.16 0.00 1.77 1.90 0.83 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 206 K 7.88 3.93 0.00 1.71 1.87 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.36 7.81 207 E 8.39 4.23 0.00 1.90 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 2.30 2.30 0.00 208 A 7.67 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 E 8.78 4.12 0.00 2.05 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 0.00 2.33 2.28 0.00 210 E 8.25 2.54 0.00 1.36 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 1.47 1.47 0.00 211 G 8.60 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 T 7.37 4.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 213 D 8.47 4.91 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 R 7.92 3.85 0.00 1.83 1.95 0.00 3.05 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 215 W 8.05 3.93 0.00 3.55 3.32 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 0.00 216 A 8.39 4.10 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 0.00 217 V 8.10 3.72 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 1.07 0.00 0.00 0.97 0.00 0.00 218 A 7.43 3.87 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 0.00 219 Q 7.33 4.02 0.00 1.64 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.09 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 220 G 7.56 3.56 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 0.00 0.00 0.00 221 F 8.15 4.98 0.00 2.97 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 0.00 222 V 8.67 3.79 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 0.89 0.00 0.00 0.92 0.00 0.00 223 S 9.43 4.90 0.00 3.74 3.63 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 0.00 224 A 8.21 4.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 T 9.22 5.34 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 1.29 0.00 0.00 226 P 0.00 4.99 0.00 2.01 1.99 0.00 4.00 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 1.95 1.85 0.00 227 L 8.63 4.86 0.00 1.39 1.54 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 228 R 8.07 4.44 0.00 1.67 1.71 0.00 3.23 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 229 L 8.38 4.31 0.00 1.74 1.68 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 230 D 7.49 4.52 0.00 2.58 2.52 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 0.00 231 L 8.48 4.44 0.00 1.67 1.67 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 232 T 7.98 3.87 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 233 D 8.41 4.63 0.00 2.70 2.57 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 0.00 234 E 8.66 3.98 0.00 2.08 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 2.38 2.37 0.00 235 T 7.58 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 236 R 7.85 4.24 0.00 2.04 2.01 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 237 L 8.09 4.34 0.00 1.82 1.52 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.