NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 V 4.1451 7.9127 120.3831 62.6915 32.9332 173.6723 17 V 4.1223 8.9453 127.7023 61.7078 32.7268 174.3636 18 G 3.6455 8.6675 114.7911 46.5874 0.0000 173.2802 19 G 4.1933 7.6485 108.5224 44.9173 0.0000 173.1011 20 E 4.9142 8.2582 118.8609 54.3847 34.6313 174.9435 21 D 5.0447 8.7244 120.8159 54.5842 41.5300 176.4848 22 A 4.5844 8.8768 125.0193 51.4297 20.1809 176.9374 23 K 4.5160 8.5500 118.3379 53.8758 34.0088 175.0440 24 P 4.2716 0.0000 0.0000 64.4383 31.5355 177.2650 25 G 3.7611 9.0189 109.5446 45.7309 0.0000 174.2584 26 Q 3.5599 7.8811 121.1575 58.0153 29.5707 176.2720 27 F 3.5230 7.0755 115.6560 54.2459 39.2044 173.4199 28 P 4.4102 0.0000 0.0000 63.6997 31.8275 178.6841 29 W 5.1161 6.1494 115.2989 56.6428 29.1361 175.7635 30 Q 4.7181 7.4605 121.7632 56.4501 29.0290 175.4684 31 V 5.0206 9.2001 118.6490 59.7250 36.7602 174.4873 32 V 4.6989 8.4292 120.5061 59.9556 34.9442 174.4213 33 L 5.0909 8.2804 121.3026 53.0452 44.3844 175.4133 34 N 5.4647 8.8190 120.9074 50.6797 42.2914 174.2389 35 G 4.3084 8.8234 113.2551 46.3960 0.0000 176.7707 36 K 3.9041 8.6009 126.1876 58.7366 32.1738 176.6057 *38 V 4.5117 7.4403 116.5613 62.5841 32.3450 173.7869 39 D 4.6871 8.6567 124.8790 54.8345 42.2297 175.5273 40 A 3.7819 8.4821 126.1547 53.1840 16.1389 177.6359 41 F 4.6363 8.1508 116.3142 59.8142 39.9061 175.5016 42 C 4.9463 6.6928 115.3802 56.9262 45.0013 172.5500 43 G 4.3366 8.7855 108.6536 45.2451 0.0000 172.1837 44 G 4.7944 8.0578 105.3513 46.4399 0.0000 172.7493 45 S 5.5263 8.8376 115.6337 56.4161 67.2044 174.0249 46 I 4.2248 8.9524 125.1062 61.7010 37.3208 177.1472 47 V 3.7135 9.0556 128.5234 65.0069 31.9191 174.9450 48 N 4.8768 7.8037 114.1432 51.9462 39.6308 174.0137 49 E 3.9878 8.9783 116.5428 59.2394 29.6660 178.9200 50 K 4.3810 8.7593 115.5551 55.7071 33.6830 175.4576 51 W 5.4169 8.2803 118.9988 54.7679 33.1842 174.3851 52 I 5.2109 9.0814 124.0118 59.5041 40.3647 174.7343 53 V 4.8926 8.9260 125.7031 60.8268 34.1873 175.0179 54 T 4.8859 8.9242 116.6951 61.6488 71.1476 171.3787 55 A 4.7972 8.4613 122.8605 50.6014 20.5549 178.4406 56 A 3.7873 8.2137 125.4161 55.2074 18.4663 179.1819 57 H 4.5791 8.1000 109.9335 57.7168 28.6489 175.6860 58 C 4.6747 7.8225 117.1761 58.3952 41.0373 174.0597 59 V 4.5148 7.3986 112.0171 58.8908 31.3697 175.5537 60 E 3.9940 8.1418 117.5187 56.5013 30.1540 177.8340 61 T 3.8136 8.6706 111.7490 62.7614 69.9690 170.1464 61A G 3.9135 10.0808 116.3753 44.5815 0.0000 174.8825 61B V 3.3889 8.3645 109.9725 59.7362 33.4600 175.9078 62 K 4.2726 8.3591 124.7439 56.2575 32.9984 176.0419 63 I 5.0533 8.0980 124.4559 59.9423 41.5953 174.2457 64 T 4.9249 9.0905 121.5184 61.7476 72.3809 173.0260 65 V 4.7824 8.6471 124.2648 61.0643 34.8039 174.4354 65A V 4.7372 8.6305 126.7263 61.2345 34.1281 174.6363 66 A 5.0925 8.3219 130.0404 49.0184 22.0000 177.0091 66 G 4.7325 8.4119 115.0404 41.6184 0.0000 174.1091 70 E 4.7091 8.2893 119.6387 54.9344 31.1840 173.6879 71 H 4.8993 8.8960 123.1035 57.1564 32.1022 172.2105 72 N 5.4595 8.7101 121.7794 51.5236 39.5904 175.1082 73 I 3.5213 8.9062 128.7323 63.7679 37.2491 176.9879 74 E 4.3638 8.4251 115.6717 56.0192 30.0390 174.8766 75 E 4.6770 7.9048 118.9447 54.8864 32.4828 174.7699 76 T 4.5948 8.1862 115.5139 62.3952 70.3873 174.1516 77 E 4.2672 9.4399 126.0536 55.8166 30.3868 176.1338 78 H 4.0923 8.1130 114.4874 57.0790 25.9301 174.9729 79 T 4.4904 7.7425 107.0874 61.0489 69.8028 173.9464 80 E 4.5165 8.0996 122.2162 56.6584 30.5009 176.3677 81 Q 4.4525 8.4754 121.4433 54.2476 31.8877 174.6025 82 K 4.7747 8.6751 123.8983 55.1531 33.7328 176.4351 83 R 4.7447 8.9242 122.4698 54.6337 34.9953 174.0199 84 N 5.0079 8.7533 117.8559 52.1600 41.1442 174.4609 85 V 4.5136 7.9098 122.3611 61.8836 31.7009 175.5917 86 I 4.2026 8.3122 122.3102 62.0498 38.9434 176.1719 87 R 4.7041 7.6323 122.3235 54.5907 33.7315 173.5528 88 I 4.9483 8.5205 125.7526 59.7575 40.1996 175.3160 89 I 4.6946 9.3686 128.6736 58.6798 38.5973 173.0676 90 P 4.8559 0.0000 0.0000 62.1402 32.7461 175.8028 91 H 3.7385 8.8184 121.8920 56.7566 30.1590 176.0263 92 H 4.3024 8.2217 119.5915 58.0856 28.8193 175.7437 93 N 4.6627 7.7091 115.8546 52.8674 39.1603 174.5400 94 F 4.5694 7.8064 121.2418 59.5083 39.8467 174.2050 95 N 3.7621 7.7612 122.4362 54.1128 35.8753 175.5499 96 A 3.9646 7.9459 123.0774 54.3215 18.6067 178.8451 97 A 4.5680 7.4437 117.7943 49.6918 19.9655 176.1488 98 I 3.4284 8.2324 123.2313 62.7952 38.5272 175.3851 98A N 3.5904 8.2015 123.7633 54.5236 36.1560 175.0210 98B T 3.6602 6.4758 104.8116 61.0260 70.5287 175.0383 99 Y 3.9487 7.2270 116.4356 58.2561 35.0991 168.6558 100 N 4.5036 7.6474 118.2326 54.9020 39.5007 174.1785 101 H 4.4191 8.5812 118.6933 56.6860 26.1037 175.9196 102 D 4.5633 8.0654 119.2221 52.9346 39.3259 174.2947 103 I 4.7454 7.1406 120.6236 59.4055 42.0256 172.5684 104 A 5.4704 9.4438 128.7616 50.9069 23.4242 174.7947 105 L 5.4207 9.2127 118.7217 52.9948 45.6446 175.8676 106 L 5.1625 9.3728 122.6691 52.9611 45.0215 174.9151 107 E 3.7168 8.6621 125.1481 54.2281 31.2143 174.9223 108 L 4.8122 8.2314 127.4103 53.9440 42.4542 176.8041 109 D 4.4753 8.7896 122.8247 55.8515 39.9161 176.7988 110 E 4.6719 7.8261 116.8984 52.8240 32.9340 173.6068 111 P 4.5871 0.0000 0.0000 63.4365 31.7947 175.8290 112 L 4.3879 8.4759 121.5920 54.3861 43.0461 176.7191 113 V 4.1727 8.7801 122.7273 61.2628 32.0391 175.9137 114 L 4.4062 8.5534 128.9822 55.0269 42.4331 176.2631 115 N 4.6926 8.7579 118.4177 52.4080 40.0994 175.0443 116 S 3.9561 8.7098 113.5310 61.3552 62.7024 174.9790 117 Y 4.4612 8.5107 115.7980 57.6981 38.9267 176.1538 118 V 4.5054 8.0234 119.6922 60.8645 32.3527 173.0136 119 T 5.0388 8.7476 121.4336 60.5100 72.5861 171.9306 120 P 4.9767 0.0000 0.0000 62.8590 32.3115 175.4717 121 I 3.9452 8.2757 122.1146 59.9699 39.5247 175.1084 122 C 4.2983 7.5201 124.1394 59.1951 29.6425 173.2436 123 I 4.7457 8.1143 121.8343 59.4528 38.9889 175.4788 124 A 4.5015 8.9310 129.2557 51.2089 19.8455 176.2174 125 D 4.7571 8.2768 119.1683 52.1629 42.2289 176.9085 126 K 3.8536 8.5513 119.3672 59.8831 31.9989 177.5981 126A E 3.7038 8.1103 118.5124 59.7849 29.5811 178.3672 126B Y 3.2506 8.8100 116.6140 60.6055 37.7735 178.2441 127 T 3.8695 8.2260 117.4205 66.6068 68.5485 176.1233 128 N 4.1467 7.8833 118.7751 56.5318 38.6783 177.0838 129 I 3.4020 6.8022 120.1241 64.2317 37.5432 178.0703 130 F 3.5271 7.7520 118.9550 60.0650 38.5501 177.5355 131 L 3.8093 7.8798 120.0653 57.9471 41.7414 178.8696 132 K 4.0189 7.6451 115.9626 58.1790 31.9646 178.6728 133 F 4.7697 7.6193 117.9782 58.7240 38.9750 176.3541 134 G 3.8729 9.6508 106.8426 45.1299 0.0000 172.4560 135 S 4.8287 7.7107 113.5137 56.8561 65.4032 173.2400 136 G 4.1066 8.8202 113.2274 45.1008 0.0000 170.2322 137 Y 5.4660 9.1769 117.0573 56.2023 40.9353 175.8640 138 V 5.3435 9.2054 115.7223 58.9108 35.5860 174.8078 139 S 4.8603 8.3498 116.4957 56.5339 66.3196 173.2085 140 G 3.7975 7.2304 108.2138 46.1959 0.0000 172.5836 141 W 4.5649 8.4481 116.8746 56.4998 30.2722 177.8210 142 G 3.9919 8.4824 109.8851 45.9821 0.0000 173.2195 143 R 4.7208 8.3491 119.2201 56.0863 30.3052 177.8505 144 V 4.5617 8.2311 115.2394 60.5571 32.1874 176.0260 145 F 4.7731 7.4021 118.0902 56.5435 42.8350 172.6225 143 H 5.1108 8.5391 116.9201 55.0863 28.4052 175.6505 144 K 4.7617 8.4911 116.4394 54.5571 32.3874 176.3260 145 G 4.1131 7.4321 106.5902 43.9435 0.0000 171.7225 150 R 4.3040 8.4337 115.3534 56.2558 30.3528 176.7003 151 S 4.7923 8.5701 115.9122 58.0884 64.1638 173.7664 152 A 4.3706 8.3452 123.8405 51.9665 19.0122 177.6926 153 L 4.3993 8.7202 120.1178 56.3109 43.5896 176.8340 154 V 4.7785 7.6593 117.8169 60.6321 33.1991 175.5396 155 L 2.6967 8.4459 129.3040 55.8854 42.8733 175.8661 156 Q 5.2964 8.2761 124.4229 54.4956 31.9596 174.1100 157 Y 5.2491 8.6585 118.6139 55.7938 42.0883 173.6054 158 L 4.6988 8.9883 121.5009 53.8924 46.2198 174.0219 159 R 4.6811 8.6847 126.0518 55.4660 31.3936 175.7352 160 V 4.3786 8.7523 119.5004 58.8119 35.7116 173.3365 161 P 4.8083 0.0000 0.0000 61.8941 32.9984 175.3563 162 L 4.2657 8.4545 124.4318 55.2568 42.8274 176.1052 163 V 4.3583 7.9695 124.8341 60.4296 33.5952 175.2444 164 D 4.3912 8.5471 126.9374 53.3382 40.1323 176.9315 165 R 3.8316 8.9309 122.2832 59.8880 30.0716 178.5272 166 A 4.0062 7.9820 119.6943 55.4740 18.1482 179.6477 167 T 3.8554 8.1635 113.5264 66.9498 68.8267 175.5482 168 C 4.2259 8.3058 120.4278 60.0250 41.8038 175.3849 169 L 3.9800 8.7083 120.3281 58.3183 41.2125 179.7171 170 R 3.9975 7.8286 115.0792 57.7923 30.2795 178.2905 171 S 4.4532 8.0932 113.3853 59.4949 63.6351 173.7368 172 T 4.7294 6.8083 115.3577 60.5611 70.3871 173.6164 173 K 4.1076 8.2955 124.9762 58.5740 32.5553 178.0303 174 F 4.6320 7.6931 117.1287 57.3840 39.4620 174.9922 175 T 4.2802 8.4995 119.8062 63.2839 69.0412 174.5533 176 I 4.5802 8.4245 126.9271 59.8451 38.6483 175.7129 177 T 4.4373 8.3187 116.4811 60.2352 70.3030 174.8898 178 N 4.7447 8.6351 116.1553 54.0741 37.3574 174.8569 179 N 5.0737 8.3061 115.9590 53.5659 39.9054 173.8817 180 M 5.6437 8.1145 117.5217 54.0073 36.5726 174.2282 181 F 5.0731 8.6864 113.8924 56.1194 42.0775 172.4947 182 C 5.5348 8.9250 116.4700 55.7913 43.0408 172.6983 183 A 5.0313 8.4903 122.0381 50.1917 22.7420 176.9752 184 G 4.2771 6.9771 108.7554 44.8063 0.0000 171.5923 184A F 4.9104 8.2366 117.5334 55.5932 41.0277 176.9221 185 H 4.4357 8.8633 120.9292 58.9800 28.6940 176.9219 186 E 4.0508 8.4005 116.1276 55.9585 30.1652 177.8702 187 G 3.7625 8.3646 108.9847 45.2875 0.0000 173.3163 188 G 4.0234 9.1936 106.9759 44.9015 0.0000 174.0653 188A R 4.8568 7.0421 117.5384 54.5670 33.0381 174.6053 189 D 4.6481 8.6168 121.7822 53.6699 45.6836 175.0629 190 S 4.7281 8.7636 117.4772 58.3670 65.0585 172.7296 191 C 4.6862 9.5906 118.5930 55.5506 46.4574 172.2617 192 Q 4.2260 8.5855 118.9486 58.1279 28.4333 177.3591 193 G 4.2173 9.1835 110.3147 45.2112 0.0000 174.7493 194 D 4.5062 8.3642 118.8870 55.6378 41.5378 176.7780 195 S 4.4660 7.9420 115.5131 60.3796 63.4939 174.7610 196 G 4.2483 8.5226 111.6309 46.6686 0.0000 174.1054 197 G 4.2179 7.7920 106.6326 45.6536 0.0000 171.2624 198 P 5.3919 0.0000 0.0000 62.1305 33.9975 174.1700 199 H 5.2662 9.1119 121.5879 54.8387 31.8157 173.4837 200 V 5.1049 9.0817 119.2968 59.8657 35.7429 174.7225 201 T 4.8513 8.8588 120.3851 61.7620 71.2658 172.8461 202 E 4.5369 8.9674 127.6785 55.2762 30.8838 175.8840 203 V 4.0843 8.8851 128.2209 61.6214 31.9748 174.3035 204 E 3.7683 9.6870 128.6110 57.0546 26.5609 175.5632 205 G 4.0162 8.1125 105.6469 45.3899 0.0000 171.9005 206 T 4.4288 7.5839 116.9494 61.8933 69.8322 174.3103 207 S 4.7682 8.3361 123.3482 58.1128 64.3958 173.3158 208 F 4.6907 9.2316 122.8132 55.2182 42.2953 174.5162 209 L 4.5453 8.6333 125.5338 55.4440 41.9400 176.2831 210 T 4.6276 9.1456 117.0689 62.2355 71.5512 173.9624 211 G 4.6309 8.0018 107.9154 45.6306 0.0000 171.6325 212 I 5.3067 8.5207 119.8383 59.0301 41.0127 175.6192 213 I 3.6515 8.7648 128.2166 62.2114 37.3965 174.7439 214 S 4.7102 8.1592 119.7529 58.5057 64.3395 173.6875 215 W 4.6127 6.8932 113.7038 56.2895 31.8106 171.9244 216 G 3.8617 8.1613 105.9165 46.7860 0.0000 172.4000 217 E 4.6288 8.7965 119.6319 54.7080 30.2917 175.3667 217 E 4.6288 8.7965 119.6319 54.7080 30.2917 175.3667 220 C 4.9310 7.6459 114.5359 57.1969 39.6426 173.8256 221 A 4.3541 8.7470 124.2386 53.2781 16.7401 176.4594 221A M 4.5430 7.2786 118.0699 55.2317 33.0206 176.2086 222 K 3.9896 8.4814 124.4712 58.2141 32.6068 176.8559 223 G 3.9362 8.3140 114.8353 44.8378 0.0000 173.1637 224 K 4.4879 7.3077 117.8290 54.6239 34.9827 174.5161 225 Y 4.8933 7.9427 117.3503 55.9915 42.5927 175.1609 226 G 3.8064 8.9980 108.0512 46.1745 0.0000 172.7535 227 I 4.6576 7.8071 124.1831 59.2796 39.6075 174.4046 228 Y 4.7573 8.2833 123.7215 55.9899 41.9182 175.0212 229 T 4.5229 8.8295 120.1243 63.2721 70.0459 174.3319 230 K 4.5465 9.2069 128.4891 55.5484 31.4209 177.1897 231 V 3.9811 8.4803 127.0402 65.7871 31.8043 178.3005 232 S 4.2809 8.3599 114.1319 61.7685 62.5140 176.3143 233 R 3.9626 7.7403 119.0594 57.4984 30.1479 177.1706 234 Y 4.8045 8.0779 115.4960 57.3839 39.0256 177.3858 235 V 3.7717 7.9071 120.8270 66.2142 31.5978 177.5155 236 N 4.4175 8.2311 115.8221 56.0008 38.4878 177.0137 237 W 4.2440 8.3780 129.3720 60.4702 30.9004 177.9947 238 I 3.2584 8.2564 119.7954 64.2307 35.5423 178.5978 239 K 3.8601 8.0770 119.2904 59.2838 31.6380 178.9708 240 E 3.9685 7.9494 118.5225 59.3439 29.6469 178.7755 241 K 3.7944 7.3453 117.0675 58.1972 32.0903 178.3800 242 T 2.5891 6.6791 107.9610 59.5106 69.1019 174.8332 243 K 3.7748 6.4855 121.7681 57.3201 32.4793 176.5499 244 L 4.4493 8.3608 123.7631 54.3157 42.7682 176.7514 245 T 4.1749 8.4008 115.6403 62.2328 67.4947 173.6050 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 16 V 7.91 4.15 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 1.01 0.00 0.00 0.89 0.00 0.00 17 V 8.95 4.12 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 0.94 0.00 0.00 0.94 0.00 0.00 18 G 8.67 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.26 4.91 0.00 1.66 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 21 D 8.72 5.04 0.00 2.63 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 22 A 8.88 4.58 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 23 K 8.55 4.52 0.00 1.72 1.66 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.34 7.81 24 P 0.00 4.27 0.00 2.07 1.98 0.00 3.68 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.61 0.00 25 G 9.02 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 26 Q 7.88 3.56 0.00 1.73 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.14 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 27 F 7.08 3.52 0.00 2.79 2.40 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 28 P 0.00 4.41 0.00 2.17 2.20 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 29 W 6.15 5.12 0.00 3.64 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.46 4.72 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.11 2.65 0.00 31 V 9.20 5.02 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 0.90 0.00 0.00 1.03 0.00 0.00 32 V 8.43 4.70 1.17 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 0.42 0.00 0.00 0.64 0.00 0.00 33 L 8.28 5.09 0.00 0.63 1.14 0.74 0.41 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 34 N 8.82 5.46 0.00 2.62 2.70 0.00 0.00 6.39 7.18 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 35 G 8.82 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.60 3.90 0.00 1.62 1.77 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.37 7.81 *38 V 7.44 4.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.90 0.00 0.00 39 D 8.66 4.69 0.00 2.69 2.54 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 40 A 8.48 3.78 1.21 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 0.00 0.00 41 F 8.15 4.64 0.00 3.17 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 42 C 6.69 4.95 0.00 2.22 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 43 G 8.79 4.34 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 0.00 44 G 8.06 4.79 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 45 S 8.84 5.53 0.00 3.85 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 46 I 8.95 4.22 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 1.07 0.00 0.00 47 V 9.06 3.71 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.02 0.00 0.00 48 N 7.80 4.88 0.00 3.02 2.96 0.00 0.00 6.17 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 49 E 8.98 3.99 0.00 2.14 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 2.44 2.46 0.00 50 K 8.76 4.38 0.00 1.84 1.50 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.54 7.81 51 W 8.28 5.42 0.00 3.19 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 52 I 9.08 5.21 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 1.04 0.00 0.00 53 V 8.93 4.89 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.14 0.00 0.00 54 T 8.92 4.89 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 1.24 0.00 0.00 55 A 8.46 4.80 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 56 A 8.21 3.79 0.23 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 57 H 8.10 4.58 0.00 3.43 3.65 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.82 4.67 0.00 3.17 3.42 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 59 V 7.40 4.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.01 0.00 0.00 60 E 8.14 3.99 0.00 2.11 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 2.27 2.33 0.00 61 T 8.67 3.81 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 61A G 10.08 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61B V 8.36 3.39 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 0.65 0.00 0.00 0.91 0.00 0.00 62 K 8.36 4.27 0.00 1.71 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 I 8.10 5.05 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 1.02 0.00 0.00 64 T 9.09 4.92 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 1.24 0.00 0.00 65 V 8.65 4.78 2.05 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 1.02 0.00 0.00 0.91 0.00 0.00 65A V 8.63 4.74 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.83 0.00 0.00 66 A 8.32 5.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.41 4.73 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 70 E 8.29 4.71 0.00 1.78 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 1.47 1.78 0.00 71 H 8.90 4.90 0.00 3.22 3.47 0.00 5.68 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 72 N 8.71 5.46 0.00 2.82 2.89 0.00 0.00 7.33 7.42 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 73 I 8.91 3.52 1.88 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.18 0.84 0.00 0.00 74 E 8.43 4.36 0.00 2.06 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 2.42 2.26 0.00 75 E 7.90 4.68 0.00 2.04 1.94 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 2.23 2.24 0.00 76 T 8.19 4.59 4.10 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 0.94 0.00 0.00 77 E 9.44 4.27 0.00 1.76 1.81 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 2.22 2.26 0.00 78 H 8.11 4.09 0.00 3.25 3.35 0.00 5.64 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 79 T 7.74 4.49 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 0.35 0.00 0.00 80 E 8.10 4.52 0.00 1.79 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 2.22 2.53 0.00 81 Q 8.48 4.45 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 82 K 8.68 4.77 0.00 1.60 1.70 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.40 7.81 83 R 8.92 4.74 0.00 1.62 1.70 0.00 3.48 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 84 N 8.75 5.01 0.00 2.76 2.69 0.00 0.00 6.83 7.44 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 85 V 7.91 4.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 86 I 8.31 4.20 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.85 0.00 0.00 87 R 7.63 4.70 0.00 1.82 1.71 0.00 3.24 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 88 I 8.52 4.95 1.93 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 1.39 0.82 0.99 0.00 0.00 89 I 9.37 4.69 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 1.14 0.00 0.00 90 P 0.00 4.86 0.00 2.18 2.10 0.00 3.94 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 2.12 2.08 0.00 91 H 8.82 3.74 0.00 2.52 3.00 0.00 5.79 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.22 4.30 0.00 3.27 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.71 4.66 0.00 2.45 2.66 0.00 0.00 6.80 8.13 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 94 F 7.81 4.57 0.00 3.11 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 95 N 7.76 3.76 0.00 2.68 2.70 0.00 0.00 6.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.95 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.44 4.57 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 98 I 8.23 3.43 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.19 0.81 0.00 0.00 98A N 8.20 3.59 0.00 2.59 2.49 0.00 0.00 6.91 7.54 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 98B T 6.48 3.66 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 99 Y 7.23 3.95 0.00 2.74 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 0.00 100 N 7.65 4.50 0.00 2.59 2.67 0.00 0.00 7.10 9.22 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 0.00 101 H 8.58 4.42 0.00 3.49 3.26 0.00 5.80 0.00 0.00 0.00 0.00 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.07 4.56 0.00 3.19 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.14 4.75 1.48 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.02 0.00 0.00 104 A 9.44 5.47 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 0.00 105 L 9.21 5.42 0.00 1.64 1.81 -0.37 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.37 5.16 0.00 1.51 1.51 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.66 3.72 0.00 1.16 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 1.72 1.47 0.00 108 L 8.23 4.81 0.00 1.37 1.47 0.94 0.99 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 0.00 109 D 8.79 4.48 0.00 2.63 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 0.00 110 E 7.83 4.67 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 111 P 0.00 4.59 0.00 2.07 2.07 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 112 L 8.48 4.39 0.00 1.57 1.65 0.96 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 0.00 113 V 8.78 4.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 114 L 8.55 4.41 0.00 1.70 1.68 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.76 4.69 0.00 2.94 2.95 0.00 0.00 6.83 7.16 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 0.00 116 S 8.71 3.96 0.00 3.44 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.51 4.46 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.02 4.51 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.05 0.00 0.00 119 T 8.75 5.04 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 1.33 0.00 0.00 120 P 0.00 4.98 0.00 1.96 2.16 0.00 3.73 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 2.07 2.15 0.00 121 I 8.28 3.95 1.56 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 0.89 0.26 0.92 0.00 0.00 122 C 7.52 4.30 0.00 1.72 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.11 4.75 1.93 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 1.40 0.61 1.02 0.00 0.00 124 A 8.93 4.50 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 0.00 125 D 8.28 4.76 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 0.00 126 K 8.55 3.85 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.67 7.81 126A E 8.11 3.70 0.00 1.95 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 1.81 2.10 0.00 126B Y 8.81 3.25 0.00 2.91 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 0.00 0.00 0.00 127 T 8.23 3.87 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 128 N 7.88 4.15 0.00 2.82 2.77 0.00 0.00 7.25 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 0.00 129 I 6.80 3.40 1.22 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 0.55 0.00 0.00 130 F 7.75 3.53 0.00 2.92 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 0.00 131 L 7.88 3.81 0.00 1.66 1.54 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.65 4.02 0.00 1.81 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.47 7.81 133 F 7.62 4.77 0.00 3.16 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 0.00 134 G 9.65 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.71 4.83 0.00 3.76 3.64 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 0.00 136 G 8.82 4.11 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 0.00 0.00 0.00 137 Y 9.18 5.47 0.00 3.13 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 0.00 138 V 9.21 5.34 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 1.11 0.00 0.00 1.10 0.00 0.00 139 S 8.35 4.86 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.23 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 0.00 141 W 8.45 4.56 0.00 3.28 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.48 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 0.00 143 R 8.35 4.72 0.00 1.75 2.14 0.00 3.19 0.00 0.00 3.44 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 144 V 8.23 4.56 1.63 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 0.72 0.00 0.00 0.70 0.00 0.00 145 F 7.40 4.77 0.00 3.10 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 0.00 143 H 8.54 5.11 0.00 3.18 3.54 0.00 8.57 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.49 4.76 0.00 1.86 1.64 0.00 1.01 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.23 7.81 145 G 7.43 4.11 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 0.00 0.00 0.00 150 R 8.43 4.30 0.00 1.90 2.02 0.00 3.11 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 151 S 8.57 4.79 0.00 3.84 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 0.00 152 A 8.35 4.37 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 0.00 153 L 8.72 4.40 0.00 1.68 1.77 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.66 4.78 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 0.68 0.00 0.00 0.97 0.00 0.00 155 L 8.45 2.70 0.00 1.17 1.26 -0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.28 5.30 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 157 Y 8.66 5.25 0.00 2.69 2.39 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 0.00 158 L 8.99 4.70 0.00 1.67 1.50 0.96 1.31 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 0.00 159 R 8.68 4.68 0.00 1.83 1.88 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 160 V 8.75 4.38 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 0.81 0.00 0.00 0.88 0.00 0.00 161 P 0.00 4.81 0.00 1.89 1.93 0.00 2.58 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.28 0.00 162 L 8.45 4.27 0.00 1.49 1.49 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.97 4.36 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.34 0.00 0.00 164 D 8.55 4.39 0.00 2.83 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 0.00 165 R 8.93 3.83 0.00 1.89 1.99 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 166 A 7.98 4.01 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 0.00 167 T 8.16 3.86 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 1.33 0.00 0.00 168 C 8.31 4.23 0.00 3.06 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 0.00 169 L 8.71 3.98 0.00 2.02 1.78 0.98 1.18 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 0.00 170 R 7.83 4.00 0.00 1.97 2.03 0.00 3.18 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 171 S 8.09 4.45 0.00 4.35 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 0.00 172 T 6.81 4.73 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 173 K 8.30 4.11 0.00 1.34 1.63 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.26 7.81 174 F 7.69 4.63 0.00 3.40 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 8.50 4.28 4.30 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 1.28 0.00 0.00 176 I 8.42 4.58 1.99 0.00 0.00 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 1.66 0.98 1.01 0.00 0.00 177 T 8.32 4.44 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 1.26 0.00 0.00 178 N 8.64 4.74 0.00 2.86 2.98 0.00 0.00 5.87 8.04 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 0.00 179 N 8.31 5.07 0.00 2.95 3.06 0.00 0.00 6.73 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 0.00 180 M 8.11 5.64 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 181 F 8.69 5.07 0.00 3.03 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 0.00 182 C 8.93 5.53 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.49 5.03 1.11 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 0.00 0.00 184 G 6.98 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 0.00 0.00 0.00 0.00 184A F 8.24 4.91 0.00 3.12 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 0.00 185 H 8.86 4.44 0.00 3.32 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.40 4.05 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 187 G 8.36 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 0.00 188 G 9.19 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 188A R 7.04 4.86 0.00 1.44 1.86 0.00 2.52 0.00 0.00 2.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.33 0.00 189 D 8.62 4.65 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.76 4.73 0.00 3.93 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 0.00 191 C 9.59 4.69 0.00 2.88 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 0.00 192 Q 8.59 4.23 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.33 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 193 G 9.18 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 0.00 0.00 0.00 0.00 194 D 8.36 4.51 0.00 2.85 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 0.00 195 S 7.94 4.47 0.00 3.88 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 0.00 196 G 8.52 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 0.00 0.00 0.00 0.00 197 G 7.79 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 0.00 0.00 0.00 0.00 198 P 0.00 5.39 0.00 2.27 2.33 0.00 3.89 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 2.23 2.32 0.00 199 H 9.11 5.27 0.00 3.35 3.48 0.00 5.72 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 9.08 5.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.30 0.00 0.00 201 T 8.86 4.85 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 1.36 0.00 0.00 202 E 8.97 4.54 0.00 2.18 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 2.32 2.37 0.00 203 V 8.89 4.08 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 0.89 0.00 0.00 -0.05 0.00 0.00 204 E 9.69 3.77 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 205 G 8.11 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 0.00 206 T 7.58 4.43 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 207 S 8.34 4.77 0.00 2.97 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 0.00 208 F 9.23 4.69 0.00 2.79 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 0.00 209 L 8.63 4.55 0.00 1.63 1.67 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 210 T 9.15 4.63 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 1.35 0.00 0.00 211 G 8.00 4.63 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 0.00 212 I 8.52 5.31 1.92 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 1.33 0.79 0.94 0.00 0.00 213 I 8.76 3.65 2.02 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 1.43 1.21 0.81 0.00 0.00 214 S 8.16 4.71 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 6.89 4.61 0.00 3.23 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 0.00 216 G 8.16 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 0.00 217 E 8.80 4.63 0.00 2.06 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 2.68 2.73 0.00 217 E 8.80 4.63 0.00 2.06 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 2.68 2.73 0.00 220 C 7.65 4.93 0.00 2.92 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 0.00 221 A 8.75 4.35 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 221A M 7.28 4.54 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 222 K 8.48 3.99 0.00 1.82 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.67 7.81 223 G 8.31 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 0.00 224 K 7.31 4.49 0.00 1.75 1.62 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.49 7.81 225 Y 7.94 4.89 0.00 2.80 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 0.00 226 G 9.00 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 0.00 227 I 7.81 4.66 0.56 0.00 0.00 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 0.15 -0.36 0.53 0.00 0.00 228 Y 8.28 4.76 0.00 1.43 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 0.00 0.00 0.00 0.00 229 T 8.83 4.52 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 1.21 0.00 0.00 230 K 9.21 4.55 0.00 2.09 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.55 1.54 7.81 231 V 8.48 3.98 2.38 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 1.03 0.00 0.00 1.09 0.00 0.00 232 S 8.36 4.28 0.00 4.18 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 0.00 233 R 7.74 3.96 0.00 1.19 1.47 0.00 3.14 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 234 Y 8.08 4.80 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 V 7.91 3.77 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.15 0.00 0.00 236 N 8.23 4.42 0.00 2.94 2.92 0.00 0.00 6.78 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 0.00 237 W 8.38 4.24 0.00 3.51 3.62 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 0.00 238 I 8.26 3.26 2.07 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.37 0.86 0.00 0.00 239 K 8.08 3.86 0.00 1.79 1.81 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 240 E 7.95 3.97 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 241 K 7.35 3.79 0.00 0.90 1.09 0.00 1.56 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.92 0.60 7.81 242 T 6.68 2.59 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 243 K 6.49 3.77 0.00 1.86 1.77 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.62 7.81 244 L 8.36 4.45 0.00 1.67 1.64 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 245 T 8.40 4.17 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.