NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9971 7.9133 120.3874 62.7488 32.9883 176.5089 8 K 3.9976 7.1470 119.8873 56.1006 31.6107 175.1615 9 E 3.9242 9.0528 121.9745 59.9969 30.0454 178.9059 10 L 4.1393 7.8135 119.8646 57.0805 42.0007 178.5007 11 L 3.8828 7.9809 118.5878 58.2307 41.5372 179.9135 12 E 3.8637 8.1633 116.5700 59.3585 29.6426 179.0706 13 A 3.6994 8.3291 119.7681 55.8758 18.8584 180.4258 14 G 4.0606 7.6734 107.5480 43.4960 0.0000 175.7055 15 V 4.1161 8.0551 109.9726 60.3041 30.2855 176.4749 16 H 4.9584 7.3139 122.9686 53.4639 30.2493 172.6238 17 F 4.6237 8.6695 113.1618 58.0562 40.6181 169.7966 18 G 3.2683 8.6603 114.7317 46.0002 0.0000 172.2260 19 H 4.5603 8.2490 119.7169 54.9896 33.0561 172.3952 20 E 3.3628 8.1168 117.4912 57.0898 27.3768 174.7772 21 R 4.4370 8.3844 119.6215 56.2211 30.4790 177.3653 22 K 3.4015 8.3011 116.5448 56.7349 32.5514 173.3067 23 R 4.1921 7.8944 132.2132 56.2892 31.3642 176.3384 24 W 4.7694 8.7339 123.0274 55.1150 27.9841 178.7172 25 N 3.9686 8.1657 123.3548 52.0979 40.2297 172.3509 26 P 3.3754 0.0000 0.0000 65.2702 31.3996 178.6745 27 K 3.9150 8.3007 118.1692 58.8376 32.1537 176.6127 28 F 4.3620 7.9614 120.9612 57.7396 41.1594 177.3679 29 A 4.4146 8.2163 126.8658 52.8741 17.6601 182.0489 30 R 3.2453 8.4574 113.6958 59.7811 32.0787 176.3453 31 Y 4.5832 7.9229 120.2125 57.0994 36.8307 174.5418 32 I 4.2984 7.8050 122.3549 60.8907 40.8899 173.2433 33 Y 4.0805 10.0210 127.7028 59.1694 38.1084 175.7208 34 A 4.2252 7.1948 118.9761 52.4845 22.2003 173.8947 35 E 4.7119 8.5254 118.1497 54.7874 31.4061 175.0910 36 R 4.4546 8.4156 123.2848 55.6598 33.5286 176.6305 37 N 3.7031 7.8425 118.2124 53.5817 35.6237 172.9891 38 G 3.9640 7.8715 114.5125 44.6538 0.0000 171.8954 39 I 4.1547 7.5019 116.9130 60.3323 37.8965 175.0711 40 H 4.4624 8.1360 119.4253 55.9003 30.0962 175.2952 41 I 4.1667 9.1771 125.2015 59.6698 37.1966 175.2209 42 I 4.0124 8.1112 127.2310 61.1081 38.9334 175.7900 43 D 5.2019 8.7688 127.4374 52.0756 39.5924 176.3316 44 L 4.4768 7.9444 122.0740 57.5876 40.5894 179.0858 45 Q 4.0131 8.2925 119.7264 57.1537 29.1724 178.0940 46 K 4.3987 8.7354 119.6833 59.9849 32.7897 178.1780 47 T 3.7809 7.8212 116.1150 67.2167 68.4251 175.4158 48 M 3.9859 9.1421 120.5295 59.0268 32.2890 177.7924 49 E 4.4062 8.1438 119.1453 59.6838 29.6279 178.4867 50 E 4.1499 9.3439 119.6449 57.7880 29.3766 179.3640 51 L 3.9990 9.0401 119.1621 59.0110 42.0713 178.8241 52 E 3.5860 9.1527 114.7775 60.1825 29.5621 178.6445 53 R 4.0143 7.7756 116.1318 60.4803 30.6749 178.1870 54 T 3.8628 8.0442 114.4279 67.7287 67.7440 176.1382 55 F 3.9370 8.4288 119.1143 60.4270 38.9389 177.8883 56 R 4.1315 7.8138 118.1750 59.4640 29.8942 178.6705 57 F 4.2401 8.2123 119.7702 61.7719 39.4051 176.6070 58 I 3.3034 8.1738 119.4068 65.0469 36.8710 177.3616 59 E 3.8498 9.8218 119.5438 59.7659 29.3893 178.5511 60 D 4.3863 8.2824 117.9122 57.7526 41.5351 177.9999 61 L 3.8834 8.5479 121.3647 57.1038 41.6763 178.4247 62 A 3.9623 8.4460 120.9740 55.2046 18.9993 180.1276 63 M 4.2662 7.7208 114.1791 54.3368 30.1874 176.7464 64 R 4.3522 7.7341 107.8909 57.2649 31.5847 175.8864 65 G 3.9048 8.2560 106.1600 45.3444 0.0000 174.8228 66 G 3.6529 7.7699 108.4376 46.4959 0.0000 172.7464 67 T 4.5072 8.0688 121.3038 61.8368 70.9283 173.5780 68 I 4.6622 8.3160 127.7036 59.2763 38.7701 175.4295 69 L 4.3865 8.7173 130.6860 55.3190 42.7172 176.0263 70 F 5.0144 10.0014 127.6805 56.4900 39.8602 175.2614 71 V 4.8697 8.9421 124.2394 61.3973 35.4693 174.6026 72 G 4.3009 8.3317 110.5371 45.8041 0.0000 174.2298 73 T 4.6515 8.2433 122.6611 59.6255 68.0803 174.8488 74 K 4.4656 7.3558 122.0866 56.6329 34.4734 177.9791 75 K 4.0951 7.4046 120.4149 58.4182 34.9145 176.1953 76 Q 4.3752 8.1082 121.6805 54.7158 27.6538 176.0104 77 A 4.7177 7.3669 122.8132 52.0178 23.1346 178.0442 78 Q 4.7459 8.0428 116.8420 56.8783 28.8301 178.9017 79 D 4.4095 8.7570 120.9118 58.3285 41.8297 179.4505 80 I 3.5202 7.8632 118.9617 64.0301 37.7452 177.0009 81 V 3.6287 8.2211 118.3697 64.0522 31.3216 177.6141 82 R 3.4157 8.4011 118.4716 57.9394 30.2235 177.6230 83 M 3.9708 8.4117 118.3916 57.1208 31.1100 179.7110 84 E 3.5307 8.3102 125.4215 59.0298 30.8334 177.6601 85 A 3.6861 7.2159 120.0429 55.5511 18.5158 179.4436 86 E 3.9615 8.4464 116.9291 58.9115 30.5792 177.9494 87 R 4.3831 7.6682 119.1301 52.5755 28.4961 176.5373 88 A 5.3382 8.3536 134.0023 51.9942 19.0905 177.2381 89 G 3.8938 7.4213 103.5394 46.9328 0.0000 173.3528 90 M 4.5462 7.5712 119.6555 52.5847 33.4867 174.6833 91 P 4.6437 0.0000 0.0000 63.1781 32.8843 174.7195 92 Y 5.9448 8.5617 119.9008 56.3906 41.2666 173.7643 93 V 4.6168 8.6564 119.3143 61.5694 35.1007 175.2800 94 N 4.8713 9.0765 122.3318 53.1591 40.4611 174.5101 95 Q 4.7591 7.8883 116.9056 53.9147 30.4981 175.3191 96 R 3.9119 8.7282 117.9489 56.5091 30.1833 176.8598 97 W 4.5999 8.8152 132.8314 57.6981 31.2425 174.5054 98 L 4.4526 6.7014 120.3582 52.1958 44.1651 176.9103 99 G 3.3617 8.4126 109.5778 46.0581 0.0000 175.0746 100 G 3.7284 7.6422 106.8512 47.0093 0.0000 177.2509 101 M 3.7942 7.5642 124.3772 58.3571 32.0957 179.2563 102 L 4.3624 7.6812 118.8667 56.9491 41.9584 179.2911 103 T 3.6867 8.2104 116.0140 67.2024 69.6072 174.5403 104 N 4.6924 8.3594 123.0858 52.5811 38.0048 175.7871 105 F 4.7503 8.2851 122.9807 59.7108 39.2924 176.4989 106 K 4.4530 7.7174 117.4469 59.4754 33.1156 178.1138 107 T 4.0131 7.5774 115.7646 65.9003 68.2789 176.3690 108 I 3.7832 8.4645 119.7750 62.6556 38.3744 177.1570 109 S 4.1993 7.1843 115.3644 61.1556 62.8074 175.9546 110 Q 3.9867 7.4194 119.8638 58.8084 28.2339 179.6090 111 R 3.9064 7.7216 118.5160 59.1463 30.5578 178.5458 112 V 3.2178 7.8913 117.4465 66.6733 31.1782 177.1333 113 H 4.2071 8.2490 117.9290 59.0772 29.8496 177.0781 114 R 4.7258 7.9208 121.6308 58.7366 29.7939 177.3215 115 L 3.8807 8.7297 121.2366 58.9996 41.6818 178.6523 116 E 4.0153 8.2508 116.5841 59.1927 29.6650 178.7239 117 E 4.0894 8.0814 119.7680 59.7987 29.5625 179.3202 118 L 4.0283 8.1637 118.6070 57.5112 41.6039 179.1731 119 E 3.8785 8.0589 118.8806 59.6654 29.9873 178.8505 120 A 4.0925 9.1649 122.0063 54.8796 18.3143 178.9782 121 L 3.9612 7.7751 118.2614 57.1735 42.3343 178.9597 122 F 4.5967 7.9508 119.4018 61.2697 39.8337 176.4802 123 A 4.0954 7.4968 119.5919 52.5724 18.7281 176.7249 124 S 4.7636 7.5325 112.7475 57.1134 65.8381 170.9049 125 P 4.5971 0.0000 0.0000 63.5917 31.2124 176.5976 126 E 4.4849 8.1301 116.1906 57.6147 30.3157 176.7677 127 I 4.2064 7.4014 119.4296 60.9839 37.7713 176.7677 128 E 4.1250 8.1885 121.8899 58.9435 30.2020 176.5048 129 E 4.3053 7.1191 119.6102 54.5252 30.7619 175.2991 130 R 3.7235 8.5896 127.7696 55.8524 26.6030 173.4945 131 P 4.2381 0.0000 0.0000 61.7402 32.3746 177.3019 132 K 3.7011 8.9103 120.6825 59.7370 31.6695 177.7814 133 K 3.6846 6.9517 115.6960 60.4140 32.7337 178.0810 134 E 4.0356 8.1967 120.1267 59.3680 30.2101 178.7492 135 Q 4.2144 7.6100 119.3011 57.5898 28.1068 177.6208 136 V 3.9264 8.1051 128.1151 66.6337 32.5194 176.5499 137 R 4.0406 8.2387 119.5854 58.4610 29.6220 177.7671 138 L 4.0366 8.2850 118.2872 57.9388 41.8124 179.7173 139 K 3.9013 8.6807 119.4379 59.1564 31.9953 178.4562 140 H 4.0748 8.5509 119.5209 58.9216 29.6916 176.2836 141 E 3.8610 7.8252 121.2993 59.6549 28.9881 178.4504 142 L 3.6570 7.2420 116.7804 59.2233 41.9461 177.8292 143 E 3.7600 8.3586 117.1042 59.8148 29.0877 179.1802 144 R 3.6432 7.8062 115.5072 59.6453 29.7849 178.2608 145 L 3.8999 8.6736 121.8516 58.4387 41.7906 178.9973 146 Q 3.9593 9.0290 118.9421 58.5704 28.9864 178.0226 147 K 3.8829 7.8518 120.7085 59.7231 32.3022 177.9311 148 Y 4.4608 7.5671 115.3047 59.9630 38.8738 176.3553 149 L 4.4532 7.8898 119.9038 54.7087 40.9976 177.7916 150 S 4.2779 7.5102 116.7110 60.6586 64.0980 176.1813 151 G 3.3079 7.2150 107.4565 45.1940 0.0000 172.5088 152 F 4.4451 7.7241 122.1668 57.2632 38.2902 173.8555 153 R 4.8896 8.0028 127.4354 55.8725 37.7400 179.6108 154 L 3.7086 6.4467 111.4385 52.9121 44.6085 180.3311 155 L 3.9392 8.7540 126.7182 56.3882 42.0690 177.9875 156 K 4.5780 8.2726 125.5357 54.2300 30.9691 174.1819 157 R 4.1876 6.8923 117.4195 55.8192 33.0621 172.6311 158 L 4.2167 8.0515 118.5759 52.3017 42.3466 174.2330 159 P 4.1372 0.0000 0.0000 63.0190 31.2210 176.9513 160 D 4.5786 8.2847 120.5166 54.2248 40.6549 176.2755 161 A 4.8407 7.9646 124.6781 52.1985 23.4479 176.1395 162 I 5.1074 7.6706 111.2415 59.5401 41.4324 173.8871 163 F 5.5891 9.2229 126.3831 56.2301 42.3847 174.1433 164 V 5.3624 6.2460 120.4163 61.9375 35.0900 175.7842 165 V 4.2401 8.6009 120.2397 61.8857 32.6428 178.8412 166 D 5.3507 9.4207 132.3927 52.2461 42.1587 172.6297 167 P 3.8027 0.0000 0.0000 65.7532 30.1130 181.9184 168 T 2.8659 5.7900 101.6794 60.5295 73.3937 175.2563 169 K 3.6345 8.3154 126.4601 58.4420 32.9286 176.6574 170 E 4.3485 9.5772 115.1586 55.6057 30.1853 177.2551 171 A 3.5248 8.5806 124.2094 55.0438 18.1421 179.7866 172 I 3.3260 7.7391 117.7873 64.6270 36.9765 178.0776 173 A 2.9820 8.1410 122.1715 54.6895 18.0718 179.4993 174 V 3.2889 7.4384 116.3283 66.9229 31.3615 177.0750 175 R 4.0705 9.4876 119.8732 57.0152 29.3579 179.0817 176 E 3.8987 7.9612 120.5498 59.7821 30.4778 178.6673 177 A 4.1052 9.5745 122.7923 53.2091 17.9616 179.9247 178 R 3.6805 8.2105 118.8403 58.4443 31.3246 178.5080 179 K 3.9963 8.1072 119.6981 59.1715 32.2042 178.0438 180 L 4.2583 8.5130 118.9258 55.2494 42.4753 180.0206 181 F 3.7683 7.6401 121.1652 58.9277 39.0092 176.4260 182 I 3.6771 8.3407 120.1075 60.7724 37.5729 173.8761 183 P 4.6279 0.0000 0.0000 62.8938 32.9573 175.3191 184 V 4.6621 8.5393 120.8418 61.1949 34.8377 174.1808 185 I 5.2681 8.6803 119.9837 58.4395 40.9407 174.0354 186 A 3.7283 8.0702 125.2414 50.7927 22.9296 174.6439 187 L 5.0241 8.6228 122.3099 53.7678 43.1328 174.8532 188 A 5.3659 8.3219 131.8350 50.9240 22.6671 172.6140 189 D 4.6586 8.1363 113.0557 52.9644 41.4587 174.7251 190 T 2.4800 8.0467 107.8079 64.0809 69.0517 174.4362 191 D 4.2033 7.9164 121.4657 55.4010 40.7435 176.7032 192 S 4.1378 5.8155 112.9065 58.9529 64.4247 173.7909 193 D 5.0106 8.3371 122.7531 50.8860 41.6101 176.1848 194 P 4.5338 0.0000 0.0000 60.0112 30.2884 176.0541 195 D 4.4354 8.6180 114.4298 55.7377 39.5815 175.5271 196 L 4.4397 7.4439 116.7393 55.8339 40.5220 177.5845 197 V 4.1803 7.6204 120.0896 61.9406 32.3983 173.9339 198 D 4.1731 8.6437 127.2585 56.7276 41.7205 176.0251 199 Y 4.5297 8.3947 116.3510 55.8181 40.4742 174.8082 200 I 4.0885 8.0693 124.9609 61.0855 38.1873 176.8216 201 I 4.7132 8.3134 126.3801 58.1576 37.3321 173.3243 202 P 4.6335 0.0000 0.0000 62.3126 31.7014 177.6046 203 G 4.0970 8.9910 103.8299 45.3173 0.0000 172.1190 204 N 4.0757 8.0751 117.5160 53.6306 39.7095 174.2169 205 D 4.5862 7.9266 117.3694 54.2335 42.1209 175.5323 206 D 4.7529 8.0444 118.9607 54.2702 43.4327 175.8988 207 A 4.7450 7.5386 121.8385 50.0245 21.1061 177.3889 208 I 4.0042 8.3135 122.1272 62.6655 38.5228 178.4373 209 R 4.0608 8.3699 119.3041 57.8325 29.0420 178.2513 210 S 4.3189 9.4942 123.3580 63.0600 62.7658 173.0430 211 I 3.6974 7.7374 120.7149 64.6457 36.0949 177.6539 212 Q 3.7519 8.6716 117.2558 60.2839 29.2350 179.8259 213 L 3.4393 7.8480 116.3477 58.9295 42.9201 179.4335 214 I 3.7485 8.2402 118.8220 64.5311 37.4697 178.0068 215 L 4.1639 8.6296 120.9286 58.6673 42.0539 178.8940 216 S 4.1438 9.4284 113.0534 61.2879 62.3176 176.1284 217 R 3.9313 8.4287 120.7555 58.6026 30.0097 178.0795 218 A 4.4523 7.5915 118.8600 53.8033 19.4679 178.9121 219 V 3.4033 8.0687 115.2935 64.5977 31.7405 176.9716 220 D 4.5517 7.6305 117.5588 57.0084 41.5118 178.0751 221 L 4.1377 7.3310 118.8307 57.3052 41.7797 178.6270 222 I 3.8586 7.7272 118.7196 64.4060 38.1691 177.3558 223 I 3.6817 7.4960 118.8174 62.6974 37.1106 177.0885 224 Q 4.1912 8.3462 119.5945 57.2675 28.7385 175.9072 225 A 4.7533 7.2079 120.7485 52.5342 19.4827 177.0203 226 R 4.3426 8.7351 119.9279 56.9027 32.1544 175.6394 227 G 3.9228 9.0505 106.6416 46.1848 0.0000 174.2425 228 G 3.7642 8.8410 113.9779 45.5447 0.0000 174.8813 229 V 3.6620 7.2885 117.4044 62.8989 30.5115 175.7169 230 V 3.8817 7.6843 119.0575 60.1582 32.5131 175.5554 231 E 4.2984 8.2912 118.7144 55.1784 30.3609 174.6780 232 P 4.3178 0.0000 0.0000 62.4758 31.9760 176.9109 233 S 4.5127 8.3263 116.6437 56.9971 64.4014 172.9315 234 P 4.8631 0.0000 0.0000 64.4754 30.6426 179.5106 235 S 3.8369 8.2876 116.9146 62.4158 63.8770 174.7878 236 Y 4.3381 7.8993 120.6963 56.0624 35.9295 175.9972 237 A 4.2821 8.0283 122.3617 52.7312 18.9796 179.0486 238 L 5.6484 8.0607 129.4204 57.7189 41.0228 176.5433 239 V 3.1265 6.7700 117.8643 64.1388 28.4733 173.4002 240 Q 4.0660 8.4325 130.6404 56.2341 28.5312 173.6815 *241 E 4.1630 7.8777 116.0256 56.0703 30.4602 177.5110 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 7 V 7.91 4.00 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 0.93 0.00 0.00 0.91 0.00 0.00 8 K 7.15 4.00 0.00 1.86 1.65 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.45 7.81 9 E 9.05 3.92 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 10 L 7.81 4.14 0.00 1.67 1.67 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.98 3.88 0.00 1.89 1.62 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.16 3.86 0.00 1.91 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 2.30 2.38 0.00 13 A 8.33 3.70 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 0.00 0.00 14 G 7.67 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.06 4.12 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 0.75 0.00 0.00 0.81 0.00 0.00 16 H 7.31 4.96 0.00 3.16 3.28 0.00 5.93 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 17 F 8.67 4.62 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.66 3.27 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 0.00 0.00 0.00 0.00 19 H 8.25 4.56 0.00 2.96 3.10 0.00 6.10 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.12 3.36 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 21 R 8.38 4.44 0.00 1.88 1.88 0.00 3.16 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 22 K 8.30 3.40 0.00 1.88 1.79 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.34 7.81 23 R 7.89 4.19 0.00 1.80 2.09 0.00 3.18 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 24 W 8.73 4.77 0.00 3.38 1.88 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 25 N 8.17 3.97 0.00 2.63 2.82 0.00 0.00 6.64 7.71 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 26 P 0.00 3.38 0.00 2.02 1.82 0.00 3.20 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 27 K 8.30 3.92 0.00 1.89 1.83 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.25 7.81 28 F 7.96 4.36 0.00 3.12 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 29 A 8.22 4.41 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.46 3.25 0.00 2.23 2.33 0.00 2.95 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.00 31 Y 7.92 4.58 0.00 2.71 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 32 I 7.81 4.30 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.60 1.10 0.00 0.00 33 Y 10.02 4.08 0.00 3.26 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 34 A 7.19 4.23 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 35 E 8.53 4.71 0.00 1.70 1.69 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 2.06 2.00 0.00 36 R 8.42 4.45 0.00 1.75 1.67 0.00 3.37 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 37 N 7.84 3.70 0.00 2.75 2.85 0.00 0.00 7.24 7.98 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 38 G 7.87 3.96 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 0.00 0.00 0.00 39 I 7.50 4.15 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.84 0.00 0.00 40 H 8.14 4.46 0.00 3.02 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.18 4.17 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.70 0.87 0.00 0.00 42 I 8.11 4.01 1.93 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 1.40 1.02 0.95 0.00 0.00 43 D 8.77 5.20 0.00 3.12 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.94 4.48 0.00 1.75 1.90 0.70 0.55 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 45 Q 8.29 4.01 0.00 2.39 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 46 K 8.74 4.40 0.00 1.68 1.57 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 47 T 7.82 3.78 4.41 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 1.29 0.00 0.00 48 M 9.14 3.99 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 49 E 8.14 4.41 0.00 2.24 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 2.42 2.36 0.00 50 E 9.34 4.15 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 51 L 9.04 4.00 0.00 1.99 2.35 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.15 3.59 0.00 2.18 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 2.40 2.43 0.00 53 R 7.78 4.01 0.00 2.06 2.04 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 54 T 8.04 3.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 55 F 8.43 3.94 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.81 4.13 0.00 2.17 2.10 0.00 3.36 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 57 F 8.21 4.24 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 58 I 8.17 3.30 1.98 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 0.95 0.00 0.00 59 E 9.82 3.85 0.00 2.12 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 2.32 2.34 0.00 60 D 8.28 4.39 0.00 2.86 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 61 L 8.55 3.88 0.00 0.98 1.37 0.76 0.82 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 62 A 8.45 3.96 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 63 M 7.72 4.27 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.74 0.00 64 R 7.73 4.35 0.00 1.99 1.95 0.00 3.05 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.41 0.00 65 G 8.26 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 66 G 7.77 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 67 T 8.07 4.51 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 1.20 0.00 0.00 68 I 8.32 4.66 2.02 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 1.25 0.58 1.35 0.00 0.00 69 L 8.72 4.39 0.00 1.85 1.73 1.22 0.96 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 70 F 10.00 5.01 0.00 3.10 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 71 V 8.94 4.87 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 1.06 0.00 0.00 1.20 0.00 0.00 72 G 8.33 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 0.00 0.00 0.00 0.00 73 T 8.24 4.65 4.56 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 1.47 0.00 0.00 74 K 7.36 4.47 0.00 1.96 1.98 0.00 1.54 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.42 1.42 7.81 75 K 7.40 4.10 0.00 1.83 1.63 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.49 7.81 76 Q 8.11 4.38 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 77 A 7.37 4.72 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 78 Q 8.04 4.75 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.50 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 79 D 8.76 4.41 0.00 2.73 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 80 I 7.86 3.52 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.24 0.96 0.00 0.00 81 V 8.22 3.63 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 1.16 0.00 0.00 1.06 0.00 0.00 82 R 8.40 3.42 0.00 1.85 2.01 0.00 3.42 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 83 M 8.41 3.97 0.00 1.84 1.82 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 2.57 2.90 0.00 84 E 8.31 3.53 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 85 A 7.22 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.45 3.96 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 87 R 7.67 4.38 0.00 1.85 1.81 0.00 3.26 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 88 A 8.35 5.34 1.22 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 89 G 7.42 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 90 M 7.57 4.55 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.77 0.00 91 P 0.00 4.64 0.00 2.08 1.88 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 92 Y 8.56 5.94 0.00 3.58 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 93 V 8.66 4.62 2.32 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 1.18 0.00 0.00 1.21 0.00 0.00 94 N 9.08 4.87 0.00 3.02 2.94 0.00 0.00 7.10 7.74 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 95 Q 7.89 4.76 0.00 2.34 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 96 R 8.73 3.91 0.00 1.75 1.95 0.00 3.52 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 1.72 1.79 0.00 97 W 8.82 4.60 0.00 3.16 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 98 L 6.70 4.45 0.00 0.97 1.06 0.58 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.41 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.64 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 0.00 101 M 7.56 3.79 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 102 L 7.68 4.36 0.00 1.99 1.72 1.34 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.21 3.69 4.29 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 1.23 0.00 0.00 104 N 8.36 4.69 0.00 2.62 2.84 0.00 0.00 7.31 6.79 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 0.00 105 F 8.29 4.75 0.00 3.41 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 0.00 106 K 7.72 4.45 0.00 1.94 1.74 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 107 T 7.58 4.01 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 1.21 0.00 0.00 108 I 8.46 3.78 2.08 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.87 0.00 0.00 109 S 7.18 4.20 0.00 3.71 3.57 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 0.00 110 Q 7.42 3.99 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 111 R 7.72 3.91 0.00 1.74 1.92 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 112 V 7.89 3.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.11 0.00 0.00 113 H 8.25 4.21 0.00 3.40 3.44 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.92 4.73 0.00 2.03 2.07 0.00 3.35 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 115 L 8.73 3.88 0.00 1.76 1.98 0.98 -0.01 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 0.00 116 E 8.25 4.02 0.00 2.37 2.20 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 2.43 2.29 0.00 117 E 8.08 4.09 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 118 L 8.16 4.03 0.00 1.83 1.67 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.06 3.88 0.00 2.20 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 2.39 2.43 0.00 120 A 9.16 4.09 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 0.00 121 L 7.78 3.96 0.00 1.74 2.00 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.95 4.60 0.00 3.01 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 0.00 123 A 7.50 4.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.53 4.76 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.60 0.00 2.20 2.09 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 126 E 8.13 4.48 0.00 1.97 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 2.23 2.29 0.00 127 I 7.40 4.21 1.86 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 1.47 1.44 0.95 0.00 0.00 128 E 8.19 4.13 0.00 1.89 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 2.30 2.43 0.00 129 E 7.12 4.31 0.00 1.99 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 0.00 2.23 2.25 0.00 130 R 8.59 3.72 0.00 1.98 2.01 0.00 3.26 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 131 P 0.00 4.24 0.00 2.21 2.22 0.00 3.73 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 2.09 2.01 0.00 132 K 8.91 3.70 0.00 1.81 1.89 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.51 7.81 133 K 6.95 3.68 0.00 1.68 1.73 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 134 E 8.20 4.04 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 135 Q 7.61 4.21 0.00 2.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 136 V 8.11 3.93 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 0.84 0.00 0.00 0.99 0.00 0.00 137 R 8.24 4.04 0.00 2.16 1.72 0.00 3.32 0.00 0.00 3.16 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 138 L 8.29 4.04 0.00 1.87 1.72 0.97 0.51 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 0.00 139 K 8.68 3.90 0.00 1.88 1.75 0.00 1.47 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.18 1.53 7.81 140 H 8.55 4.07 0.00 3.50 3.26 0.00 5.86 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 0.00 141 E 7.83 3.86 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 142 L 7.24 3.66 0.00 1.72 1.70 0.82 0.84 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 0.00 143 E 8.36 3.76 0.00 2.13 1.68 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 2.16 2.23 0.00 144 R 7.81 3.64 0.00 1.97 2.13 0.00 3.04 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 145 L 8.67 3.90 0.00 1.71 1.82 0.92 -0.27 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 0.00 146 Q 9.03 3.96 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 147 K 7.85 3.88 0.00 1.54 1.45 0.00 1.58 0.00 0.00 1.14 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.76 1.21 7.81 148 Y 7.57 4.46 0.00 2.95 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 0.00 149 L 7.89 4.45 0.00 1.81 1.85 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.51 4.28 0.00 3.77 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 0.00 151 G 7.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.72 4.45 0.00 3.05 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 0.00 153 R 8.00 4.89 0.00 1.84 1.83 0.00 3.43 0.00 0.00 3.27 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 154 L 6.45 3.71 0.00 1.63 0.74 1.00 0.98 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 0.00 155 L 8.75 3.94 0.00 1.54 1.56 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.27 4.58 0.00 1.81 1.94 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.47 7.81 157 R 6.89 4.19 0.00 1.68 1.71 0.00 3.20 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 158 L 8.05 4.22 0.00 1.60 1.54 0.83 0.96 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 0.00 159 P 0.00 4.14 0.00 2.21 2.23 0.00 3.58 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 2.18 2.13 0.00 160 D 8.28 4.58 0.00 2.88 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 0.00 161 A 7.96 4.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.67 5.11 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 1.01 0.00 0.00 163 F 9.22 5.59 0.00 2.70 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 0.00 164 V 6.25 5.36 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 0.95 0.00 0.00 0.79 0.00 0.00 165 V 8.60 4.24 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 0.80 0.00 0.00 0.91 0.00 0.00 166 D 9.42 5.35 0.00 2.81 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 0.00 167 P 0.00 3.80 0.00 2.17 1.90 0.00 3.70 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 2.04 1.94 0.00 168 T 5.79 2.87 4.20 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 1.22 0.00 0.00 169 K 8.32 3.63 0.00 1.71 1.89 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.46 7.81 170 E 9.58 4.35 0.00 1.84 1.54 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 2.13 2.18 0.00 171 A 8.58 3.52 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 0.00 172 I 7.74 3.33 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.45 1.28 0.00 0.00 173 A 8.14 2.98 0.08 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 0.00 174 V 7.44 3.29 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 1.05 0.00 0.00 0.79 0.00 0.00 175 R 9.49 4.07 0.00 1.82 2.05 0.00 3.23 0.00 0.00 3.19 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 176 E 7.96 3.90 0.00 2.72 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 2.52 2.86 0.00 177 A 9.57 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.21 3.68 0.00 1.86 2.08 0.00 3.31 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 179 K 8.11 4.00 0.00 1.85 1.94 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 180 L 8.51 4.26 0.00 1.81 1.70 1.03 1.24 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 0.00 181 F 7.64 3.77 0.00 3.28 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 I 8.34 3.68 1.95 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 0.81 1.06 0.00 0.00 183 P 0.00 4.63 0.00 2.39 2.15 0.00 3.72 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 2.49 2.21 0.00 184 V 8.54 4.66 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 1.06 0.00 0.00 0.94 0.00 0.00 185 I 8.68 5.27 2.05 0.00 0.00 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 1.41 2.12 1.27 0.00 0.00 186 A 8.07 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.62 5.02 0.00 1.78 1.57 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.32 5.37 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.14 4.66 0.00 2.65 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 0.00 190 T 8.05 2.48 4.09 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 1.07 0.00 0.00 191 D 7.92 4.20 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 5.82 4.14 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 0.00 193 D 8.34 5.01 0.00 2.72 2.61 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 0.00 194 P 0.00 4.53 0.00 1.96 1.44 0.00 3.84 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 1.79 1.56 0.00 195 D 8.62 4.44 0.00 2.87 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 0.00 196 L 7.44 4.44 0.00 1.68 1.70 0.86 0.51 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 0.00 197 V 7.62 4.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 198 D 8.64 4.17 0.00 2.72 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 8.39 4.53 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 0.00 200 I 8.07 4.09 2.28 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 1.13 0.00 0.00 201 I 8.31 4.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 1.06 0.00 0.00 202 P 0.00 4.63 0.00 2.30 2.55 0.00 3.56 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.82 0.00 203 G 8.99 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 0.00 0.00 0.00 0.00 204 N 8.08 4.08 0.00 2.71 2.80 0.00 0.00 6.80 8.47 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 0.00 205 D 7.93 4.59 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.04 4.75 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 7.54 4.75 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 0.00 208 I 8.31 4.00 1.87 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 1.54 0.96 0.89 0.00 0.00 209 R 8.37 4.06 0.00 1.87 1.86 0.00 3.32 0.00 0.00 3.10 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 210 S 9.49 4.32 0.00 3.91 3.97 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 0.00 211 I 7.74 3.70 1.99 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 1.45 0.93 0.97 0.00 0.00 212 Q 8.67 3.75 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 213 L 7.85 3.44 0.00 1.77 1.74 0.65 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 214 I 8.24 3.75 2.12 0.00 0.00 1.00 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 1.38 1.16 0.00 0.00 215 L 8.63 4.16 0.00 1.71 2.03 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 216 S 9.43 4.14 0.00 3.88 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 0.00 217 R 8.43 3.93 0.00 1.84 1.92 0.00 3.27 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 218 A 7.59 4.45 1.54 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 0.00 219 V 8.07 3.40 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 0.57 0.00 0.00 0.65 0.00 0.00 220 D 7.63 4.55 0.00 2.87 2.61 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 0.00 221 L 7.33 4.14 0.00 1.60 1.81 1.15 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 222 I 7.73 3.86 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.78 0.00 0.00 223 I 7.50 3.68 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 0.87 0.00 0.00 224 Q 8.35 4.19 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.33 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 225 A 7.21 4.75 1.19 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 0.00 226 R 8.74 4.34 0.00 1.64 2.06 0.00 3.21 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 227 G 9.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.84 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 0.00 229 V 7.29 3.66 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 0.80 0.00 0.00 0.90 0.00 0.00 230 V 7.68 3.88 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 0.83 0.00 0.00 0.90 0.00 0.00 231 E 8.29 4.30 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 232 P 0.00 4.32 0.00 2.09 2.05 0.00 3.68 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 2.04 2.07 0.00 233 S 8.33 4.51 0.00 3.96 3.96 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 0.00 234 P 0.00 4.86 0.00 2.27 2.33 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 235 S 8.29 3.84 0.00 3.55 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 0.00 236 Y 7.90 4.34 0.00 3.14 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 0.00 237 A 8.03 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 L 8.06 5.65 0.00 1.95 1.90 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 239 V 6.77 3.13 2.45 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 0.95 0.00 0.00 0.90 0.00 0.00 240 Q 8.43 4.07 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 *241 E 7.88 4.16 0.00 1.77 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.