NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1672 8.0549 120.3871 62.0369 35.0189 175.8180 8 K 4.0929 7.7660 114.4235 54.6966 32.2968 175.2659 9 E 3.9304 10.1175 127.8368 60.1285 31.5782 179.9545 10 L 4.2064 7.8361 118.5135 57.2794 42.0753 178.3140 11 L 4.1706 8.8808 119.0604 57.8907 43.2390 178.6205 12 E 3.6961 7.9067 118.2802 55.9719 28.0140 180.1708 13 A 3.0871 9.3293 124.8789 54.8985 19.1022 179.5114 14 G 3.7118 9.7517 102.2623 48.5723 0.0000 175.1464 15 V 4.2710 6.8723 107.9211 59.9759 33.4003 173.5661 16 H 4.9963 7.5798 110.8208 56.4389 33.2161 174.0460 17 F 4.9805 7.4258 117.3493 57.0521 37.5626 178.1855 18 G 3.4250 7.3877 104.9403 43.2643 0.0000 172.5812 19 H 4.6006 8.5144 121.3867 55.8176 33.5793 173.0904 20 E 3.2422 8.2374 115.4101 57.4889 27.2661 175.4689 21 R 4.5490 8.0965 118.7252 56.6041 31.1208 175.2278 22 K 3.8995 9.1944 121.5671 57.1327 29.2297 176.3568 23 R 4.7098 7.6270 113.0264 55.5037 31.6784 176.4779 24 W 5.0737 8.0901 112.9372 56.1654 28.6555 174.4920 25 N 4.1314 8.3378 117.5298 51.6938 39.5828 173.9226 26 P 2.9700 0.0000 0.0000 64.6627 31.1445 178.3933 27 K 3.9631 8.7398 118.9349 58.8095 32.3200 178.1035 28 F 3.7845 9.1623 121.0959 60.7646 39.5711 177.9302 29 A 4.0140 7.7129 122.3010 54.8729 18.9621 179.3125 30 R 3.9871 7.8499 111.9068 59.2332 29.0382 176.7603 31 Y 4.9956 8.3868 115.4411 57.5732 38.0730 174.2254 32 I 4.8809 8.2570 120.6493 59.5406 40.2922 174.4823 33 Y 4.3890 9.0020 129.7015 59.3204 39.1355 174.8361 34 A 4.2404 7.3643 119.5225 51.6321 22.0528 175.0530 35 E 5.0520 8.0388 120.7674 53.8910 28.6255 175.0678 36 R 4.2963 7.5350 121.1868 55.4621 32.0538 176.0921 37 N 4.0629 9.5220 117.1475 54.5273 37.3078 175.6681 38 G 3.8983 8.2344 103.0419 45.1084 0.0000 174.1853 39 I 4.3225 7.2709 120.9232 59.5229 38.7711 174.5589 40 H 4.4412 8.5933 121.5593 55.9935 29.7308 174.3251 41 I 4.4530 9.0976 126.2402 59.4178 38.8062 175.3788 42 I 4.4022 8.3209 127.7245 60.9807 39.3903 174.8883 43 D 4.7176 8.5639 127.0937 53.2803 41.3448 177.1218 44 L 4.7444 8.6178 128.7634 56.8812 41.3742 178.9754 45 Q 4.1147 8.6961 120.1891 58.3160 28.8431 177.5128 46 K 4.1340 7.7728 120.3639 57.7014 32.5276 178.1944 47 T 3.7432 7.5750 116.0835 67.3585 68.3570 175.2416 48 M 3.8920 8.5423 119.5465 59.2350 32.0735 178.0242 49 E 3.8785 7.9426 117.5796 59.7396 29.7386 179.8693 50 E 4.0540 8.2803 118.3954 59.2397 29.4998 179.1220 51 L 4.1385 8.1238 119.3385 58.0947 41.5043 178.9688 52 E 3.8863 8.5190 119.3394 59.7193 29.2943 178.9375 53 R 4.1513 7.7148 116.8468 59.3311 30.1133 178.6024 54 T 3.8471 8.3009 116.2035 66.5115 68.4342 176.9113 55 F 4.0363 9.0392 119.9138 59.9538 38.8249 177.8665 56 R 3.9357 7.6538 117.1631 59.0191 29.7086 178.2150 57 F 4.0838 7.6434 119.6395 61.8047 39.3561 177.0923 58 I 3.2839 7.7902 119.2240 64.0955 36.9348 177.6309 59 E 4.0434 8.3784 120.0393 59.8256 29.2993 178.6116 60 D 4.5354 8.2925 115.7135 55.6435 40.9674 177.2729 61 L 4.1357 8.2729 121.3796 57.1747 42.1726 176.9543 62 A 3.9686 7.8073 121.2966 54.4367 19.0349 177.8037 63 M 4.5257 7.9006 116.7875 53.6011 29.8378 176.6720 64 R 4.2177 7.8349 115.3309 56.1629 35.8080 172.3181 65 G 3.7783 9.4788 109.7386 46.1004 0.0000 172.8730 66 G 3.9790 8.0200 111.1102 43.8081 0.0000 171.6602 67 T 4.0568 8.5143 115.2619 62.1686 70.1432 173.1578 68 I 4.8988 8.2495 123.7980 59.3580 40.1147 174.9594 69 L 4.4620 8.6978 130.8875 54.9794 43.1780 175.8387 70 F 4.8565 9.9366 127.4516 56.7482 40.4203 175.0321 71 V 4.7662 8.3653 124.9633 61.0457 34.0486 174.7281 72 G 4.2773 8.1816 110.4660 46.2502 0.0000 173.0250 73 T 4.9415 9.0398 113.6694 61.3368 71.2262 174.0221 74 K 3.7341 8.4860 121.5260 57.9387 32.3757 177.5159 75 K 4.3834 8.4536 125.0705 59.4775 33.3065 177.8004 76 Q 3.8503 7.8963 116.6359 58.5608 28.7702 178.3016 77 A 4.6970 8.3654 118.1691 51.3241 19.2782 177.5478 78 Q 3.9588 8.3143 119.4105 58.6776 28.1723 179.8292 79 D 4.3403 7.3172 119.9989 56.1764 41.1020 179.0029 80 I 3.6272 7.8381 121.9850 63.5639 37.0193 178.5926 81 V 3.5481 8.5633 119.7729 66.1123 31.4583 177.5117 82 R 2.9310 6.9931 116.4740 60.2322 29.8134 177.5372 83 M 3.8515 8.1811 116.2480 58.1900 31.8459 178.1662 84 E 4.0277 7.2834 122.0660 59.9443 30.3627 179.5119 85 A 3.4274 8.0845 120.8521 55.1143 18.5256 179.5076 86 E 4.0016 8.2218 116.8950 59.3923 29.4110 179.2098 87 R 4.0265 8.2667 116.1683 57.8242 30.2003 176.3074 88 A 4.5305 7.4632 117.3014 51.3038 20.7722 176.0995 89 G 3.9421 8.8079 104.6968 46.8521 0.0000 173.8912 90 M 4.6763 7.7337 117.1453 52.2760 34.7286 174.3996 91 P 4.5452 0.0000 0.0000 63.0275 33.0161 174.9838 92 Y 5.9873 7.7983 119.4247 54.9788 42.6190 174.1855 93 V 4.6571 8.5575 118.6062 62.8245 33.6419 174.5819 94 N 4.7440 9.4271 126.0158 56.1692 40.3979 177.6018 95 Q 4.6928 7.8509 116.3103 55.6742 28.0701 179.9022 96 R 4.3613 8.6905 132.9293 54.5714 30.4840 174.3327 97 W 4.1521 8.9035 134.1396 57.0771 30.3733 175.3870 98 L 3.7922 7.8637 126.2872 54.1902 41.6176 177.5328 99 G 3.5506 8.1938 112.7366 46.8832 0.0000 173.8480 100 G 4.1234 11.3000 111.1617 43.9509 0.0000 174.6965 101 M 3.9151 6.7196 118.5001 57.2037 32.3775 175.7601 102 L 4.9002 7.8621 115.8920 57.0875 44.6868 178.4979 103 T 4.0548 9.2584 108.8630 64.1676 68.8442 174.7811 104 N 5.2101 8.1180 120.1538 52.5343 39.5354 175.9852 105 F 4.3079 8.6254 119.3607 61.4075 38.8991 176.1526 106 K 3.7058 8.2229 119.5327 59.3944 31.5221 178.2789 107 T 3.8418 7.9116 115.5090 65.9966 68.7984 176.6867 108 I 3.6304 7.6089 120.4867 62.8903 36.8728 178.5079 109 S 4.1010 7.2272 116.8698 61.6858 62.7667 176.1912 110 Q 3.9717 7.3942 120.4536 59.2505 28.5394 179.4964 111 R 4.0005 7.6093 117.6465 58.4825 29.8900 179.1866 112 V 3.6805 8.5595 119.6321 66.1805 31.6223 177.5937 113 H 4.1789 8.4262 113.8940 58.4099 28.6301 176.7255 114 R 4.2295 7.7880 119.7834 58.3524 30.2857 177.6180 115 L 3.6739 7.6032 120.3586 58.0488 42.0862 177.8179 116 E 4.5784 8.3088 113.8437 56.5393 30.0081 176.9433 117 E 4.3962 9.1386 121.6428 58.8021 30.1276 177.9960 118 L 3.9704 7.8464 118.4186 58.0466 41.7232 179.0412 119 E 4.1874 8.0519 118.7139 58.9547 29.3208 177.8066 120 A 4.6572 7.9966 120.6066 51.8649 19.1867 177.9020 121 L 4.6716 8.4065 120.2855 56.7159 47.5411 177.6546 122 F 4.4082 7.9760 120.8775 60.4838 39.4012 174.9868 123 A 4.5362 7.5881 122.4935 49.1837 18.2763 174.1989 124 S 4.6097 7.5288 114.9847 55.9678 65.7030 173.6962 125 P 4.3304 0.0000 0.0000 65.6869 30.3119 178.2876 126 E 4.9473 8.4348 117.6451 58.9918 29.5522 179.1847 127 I 3.4462 7.1937 117.6073 64.3683 36.9441 176.2633 128 E 3.4341 7.2541 116.8675 60.1900 29.7321 180.0310 129 E 3.9450 6.8113 114.4163 57.0277 30.4248 172.8068 130 R 4.0134 8.3653 124.8423 55.3625 27.4468 174.7470 131 P 4.2497 0.0000 0.0000 62.4537 33.1048 176.3450 132 K 3.7731 8.7624 119.9975 60.0014 31.9416 178.6477 133 K 3.9218 8.1438 117.8168 59.8057 31.9838 178.3648 134 E 3.9233 8.2226 117.6959 59.8136 29.5847 179.2800 135 Q 3.9880 8.0962 117.6048 59.3069 28.7513 179.5880 136 V 3.6350 8.5668 119.5699 66.1881 31.6561 177.3576 137 R 3.7999 8.6081 118.6498 59.5685 29.8068 178.0579 138 L 3.9893 8.6504 118.4792 58.2419 41.4941 179.3564 139 K 3.8200 7.9602 117.2640 60.3618 32.0634 178.4631 140 H 4.1106 8.3542 115.5036 59.1450 28.6905 177.3799 141 E 3.9068 8.0059 120.2121 59.3380 29.4837 178.6761 142 L 3.9054 8.5759 120.5951 58.4632 42.0280 177.9787 143 E 3.7943 9.2550 118.5405 60.2228 29.2953 179.7288 144 R 3.6213 8.3637 115.0244 59.5697 29.5398 178.6495 145 L 3.9271 7.8080 119.1985 57.5233 42.0162 179.3489 146 Q 4.0344 8.7534 119.4360 59.1913 28.8987 177.9406 147 K 3.8148 7.8715 119.5222 59.2428 32.2017 177.2135 148 Y 4.9875 7.9448 113.9156 57.8739 38.4372 175.8847 149 L 4.8304 7.4321 117.4725 54.0815 43.2084 177.5923 150 S 4.1299 8.2856 114.4551 62.2363 64.1329 176.7834 151 G 2.2640 8.0611 108.2108 45.9624 0.0000 172.0477 152 F 4.1307 5.4600 132.9811 58.5077 39.9136 173.0325 153 R 4.4375 7.9706 134.7461 57.2515 33.0316 176.0184 154 L 4.0420 7.7534 113.7925 55.1952 41.2767 176.4750 155 L 4.3889 7.5685 122.0449 53.0074 42.3849 175.4624 156 K 4.5293 8.2056 127.0197 55.4572 34.5286 172.1497 157 R 4.0205 8.9098 132.0218 56.2875 30.4054 174.9607 158 L 3.3397 7.5997 123.7161 53.0777 42.4391 175.3558 159 P 4.3897 0.0000 0.0000 63.4227 31.7484 175.7794 160 D 4.9189 8.1094 117.0153 53.7901 41.8372 176.9044 161 A 4.9009 6.9505 122.2276 51.6358 21.9977 175.3203 162 I 4.9232 7.9422 113.4894 58.9558 41.3620 174.1399 163 F 5.5643 8.9715 126.4466 56.6862 41.6367 174.1572 164 V 4.9921 9.1957 125.8541 61.2913 34.7800 177.0567 165 V 3.7315 8.3681 121.1418 62.4207 31.7194 178.7874 166 D 4.5026 9.3766 135.0000 53.4044 41.0831 173.3869 167 P 4.2441 0.0000 0.0000 66.2519 31.2400 178.2724 168 T 3.7858 8.0934 109.4425 63.9512 68.4739 175.5784 169 K 3.7716 7.3325 122.5618 58.1481 32.2737 176.9570 170 E 4.5075 8.1024 115.5037 55.7814 30.2463 177.4809 171 A 3.5945 8.5220 124.5311 55.5695 18.2635 180.3638 172 I 3.5496 7.8199 117.4859 64.4624 37.1641 178.3834 173 A 2.5800 8.3657 122.5478 54.5765 18.1002 179.7285 174 V 3.3878 7.4293 116.2365 66.0407 31.3238 178.1599 175 R 3.7740 8.5429 118.9473 59.8156 29.8118 177.6480 176 E 3.9653 8.1483 116.4532 59.4213 29.8070 178.9215 177 A 4.1551 8.3662 120.1882 55.5572 18.6419 179.5679 178 R 3.7205 7.8775 116.8680 59.5073 29.9408 178.4847 179 K 3.8468 7.9731 117.6716 58.1402 32.4090 177.0451 180 L 4.5786 7.4811 118.0126 54.1035 41.9719 176.7317 181 F 3.7960 7.3008 114.8493 58.3255 37.1051 175.3602 182 I 4.1251 7.1732 119.8810 60.3581 37.8313 174.2861 183 P 4.7120 0.0000 0.0000 62.5904 32.7828 175.3018 184 V 4.9795 9.2731 124.1318 61.0006 34.4197 174.1571 185 I 5.1393 8.7969 120.6439 58.5778 40.5239 174.3009 186 A 5.1656 8.3149 123.6758 51.2576 22.7283 175.3500 187 L 4.7498 8.7803 123.1053 54.3152 41.2139 176.1223 188 A 4.8974 8.4418 127.7788 50.7954 22.1711 174.7094 189 D 5.2120 8.4054 117.2902 52.4328 42.8270 176.3228 190 T 2.8446 8.1521 107.7396 63.3558 68.3203 174.8786 191 D 4.3307 7.8451 122.6549 56.3340 41.7218 176.8352 192 S 4.5842 7.6055 113.8901 57.0101 64.7670 172.9130 193 D 4.6753 8.3433 121.0381 51.4470 39.9091 174.0360 194 P 3.8880 0.0000 0.0000 65.6715 31.0333 181.3658 195 D 3.7575 6.4928 117.4044 54.5640 42.6282 176.8320 196 L 4.3972 7.2836 120.4209 56.0645 41.3393 177.2579 197 V 4.2251 7.5048 119.4859 62.0088 33.0071 174.3641 198 D 4.1494 8.6068 128.2292 57.3014 41.5085 176.5999 199 Y 4.4890 7.9260 116.2511 57.1024 41.2988 174.7532 200 I 4.5163 8.3275 125.1351 60.1931 38.9346 176.3636 201 I 4.7929 7.9831 123.2869 58.5158 37.2802 172.6777 202 P 4.9532 0.0000 0.0000 62.2223 31.8420 177.1850 203 G 4.4229 9.6987 118.7322 45.3177 0.0000 171.0854 204 N 3.6683 7.5950 117.6123 52.5507 38.6027 173.9884 205 D 4.8400 8.4510 124.6447 53.2245 39.9459 176.4958 206 D 4.5705 7.6203 118.4900 54.6117 43.5730 175.4587 207 A 3.9992 7.5934 119.9554 52.3441 18.5428 177.5193 208 I 3.4304 8.3945 125.2459 65.9391 37.1709 177.8719 209 R 3.7547 8.0212 117.8584 59.7414 29.8864 178.7023 210 S 4.1462 7.8471 111.7248 61.4930 62.5797 176.3105 211 I 3.7056 8.5527 123.1818 65.1721 36.7978 177.1733 212 Q 3.8204 8.7765 119.1751 59.0760 28.5337 178.3683 213 L 3.9172 8.2748 120.1269 58.4969 42.5691 179.8954 214 I 3.8438 7.9593 119.2694 64.5594 37.0799 178.4997 215 L 4.2794 8.5025 120.1982 58.2568 41.5512 178.6387 216 S 4.5981 9.1652 111.4924 61.6815 61.9337 175.8904 217 R 4.0436 7.7551 121.1391 59.4998 30.2742 178.5619 218 A 4.4966 8.1275 119.7141 55.3870 18.7521 179.3122 219 V 3.8002 8.8263 117.4284 66.9776 31.1718 177.1376 220 D 4.3267 8.3049 117.4136 57.7746 40.4674 178.7897 221 L 3.8804 8.3753 122.9889 58.5092 42.6979 179.3810 222 I 4.0005 8.1521 120.1226 63.9510 37.0151 178.3351 223 I 3.8229 8.9689 121.5295 64.3749 36.9066 177.9828 224 Q 4.2274 7.9663 116.3457 57.4206 29.1758 176.7888 225 A 4.6820 7.4578 120.4688 51.9529 19.5729 177.0319 226 R 4.3101 9.6910 120.2461 60.1203 32.2586 173.8875 227 G 2.9509 9.0612 108.4564 45.2779 0.0000 173.0031 228 G 4.1431 8.6043 122.9246 45.3643 0.0000 172.1245 229 V 3.7919 7.7073 117.4822 63.3983 32.8925 175.5723 230 V 4.1971 7.8034 117.2088 60.6364 33.7038 173.8021 231 E 4.5650 8.4729 122.2148 54.8028 32.0124 173.9409 232 P 4.7581 0.0000 0.0000 62.6809 33.2635 175.4861 233 S 4.7053 7.8610 117.8089 58.2276 63.9911 175.3728 234 P 4.6170 0.0000 0.0000 62.0599 32.0404 173.6823 235 S 4.4919 8.3313 111.7996 59.6236 64.6724 175.2063 236 Y 4.2044 9.0796 119.9960 57.7470 37.0683 177.1072 237 A 4.0983 7.4016 124.7750 55.3530 19.1264 178.7567 238 L 4.4680 8.1243 111.2047 56.9732 41.5766 175.4159 239 V 3.2056 7.2567 121.4203 63.8899 29.4697 174.1985 240 Q 3.9587 8.4077 131.7444 56.3537 28.6156 173.6980 *241 E 4.1630 7.9094 116.1139 56.0707 30.4602 177.5276 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 8.05 4.17 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 0.96 0.00 0.00 0.91 0.00 0.00 8 K 7.77 4.09 0.00 1.82 1.27 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.38 7.81 9 E 10.12 3.93 0.00 2.10 2.18 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 2.34 2.32 0.00 10 L 7.84 4.21 0.00 1.69 1.74 0.90 0.94 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 11 L 8.88 4.17 0.00 1.46 1.62 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.91 3.70 0.00 2.16 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 2.34 2.24 0.00 13 A 9.33 3.09 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 14 G 9.75 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 15 V 6.87 4.27 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 0.61 0.00 0.00 0.73 0.00 0.00 16 H 7.58 5.00 0.00 2.99 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.43 4.98 0.00 3.12 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 0.00 0.00 0.00 18 G 7.39 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 0.00 0.00 0.00 19 H 8.51 4.60 0.00 3.04 3.16 0.00 6.01 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.24 3.24 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 21 R 8.10 4.55 0.00 2.09 1.99 0.00 3.04 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 22 K 9.19 3.90 0.00 1.95 1.99 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.61 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.32 7.81 23 R 7.63 4.71 0.00 1.68 1.84 0.00 3.35 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 24 W 8.09 5.07 0.00 3.50 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.34 4.13 0.00 2.65 2.59 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 2.97 0.00 1.91 1.67 0.00 3.11 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 27 K 8.74 3.96 0.00 1.71 1.78 0.00 1.61 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.31 7.81 28 F 9.16 3.78 0.00 3.11 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 29 A 7.71 4.01 1.50 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 0.00 0.00 30 R 7.85 3.99 0.00 1.92 2.02 0.00 2.85 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 31 Y 8.39 5.00 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.26 4.88 2.20 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 1.26 1.11 1.16 0.00 0.00 33 Y 9.00 4.39 0.00 2.94 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 34 A 7.36 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.04 5.05 0.00 1.59 1.64 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 2.00 1.95 0.00 36 R 7.54 4.30 0.00 1.89 1.77 0.00 3.28 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 37 N 9.52 4.06 0.00 2.80 2.81 0.00 0.00 7.06 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 8.23 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 39 I 7.27 4.32 1.80 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 1.26 1.14 0.95 0.00 0.00 40 H 8.59 4.44 0.00 3.22 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.10 4.45 1.99 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.04 0.83 0.00 0.00 42 I 8.32 4.40 1.99 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 1.37 1.05 0.00 0.00 43 D 8.56 4.72 0.00 3.04 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.62 4.74 0.00 1.82 1.76 1.17 1.20 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 45 Q 8.70 4.11 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 46 K 7.77 4.13 0.00 2.33 1.70 0.00 2.07 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.31 1.59 7.81 47 T 7.58 3.74 4.39 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 1.34 0.00 0.00 48 M 8.54 3.89 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 49 E 7.94 3.88 0.00 2.23 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 2.34 2.61 0.00 50 E 8.28 4.05 0.00 2.08 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 2.04 2.06 0.00 51 L 8.12 4.14 0.00 1.96 2.09 1.03 1.50 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 52 E 8.52 3.89 0.00 2.04 2.21 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 2.36 2.37 0.00 53 R 7.71 4.15 0.00 2.02 2.12 0.00 3.18 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 54 T 8.30 3.85 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 55 F 9.04 4.04 0.00 3.16 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 56 R 7.65 3.94 0.00 2.14 2.03 0.00 3.36 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 57 F 7.64 4.08 0.00 2.36 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 58 I 7.79 3.28 1.74 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.58 0.75 0.00 0.00 59 E 8.38 4.04 0.00 2.20 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 0.00 2.31 2.39 0.00 60 D 8.29 4.54 0.00 2.69 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 61 L 8.27 4.14 0.00 0.82 1.37 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.81 3.97 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 63 M 7.90 4.53 0.00 2.13 2.13 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 2.57 2.67 0.00 64 R 7.83 4.22 0.00 1.77 1.95 0.00 3.37 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 65 G 9.48 3.78 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 0.00 0.00 0.00 66 G 8.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.51 4.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 I 8.25 4.90 2.16 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.68 0.79 0.00 0.00 69 L 8.70 4.46 0.00 1.90 1.66 1.17 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.94 4.86 0.00 3.29 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 71 V 8.37 4.77 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 0.97 0.00 0.00 72 G 8.18 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 73 T 9.04 4.94 4.45 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 1.35 0.00 0.00 74 K 8.49 3.73 0.00 1.96 2.07 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.47 7.81 75 K 8.45 4.38 0.00 1.81 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.48 7.81 76 Q 7.90 3.85 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.17 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 77 A 8.37 4.70 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 78 Q 8.31 3.96 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.36 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 79 D 7.32 4.34 0.00 2.86 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 80 I 7.84 3.63 1.85 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 1.50 0.72 0.90 0.00 0.00 81 V 8.56 3.55 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 1.17 0.00 0.00 0.97 0.00 0.00 82 R 6.99 2.93 0.00 1.72 1.96 0.00 3.08 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 83 M 8.18 3.85 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 84 E 7.28 4.03 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 2.46 2.54 0.00 85 A 8.08 3.43 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 86 E 8.22 4.00 0.00 2.05 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 2.64 2.65 0.00 87 R 8.27 4.03 0.00 1.89 2.05 0.00 3.36 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 88 A 7.46 4.53 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 89 G 8.81 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 90 M 7.73 4.68 0.00 2.38 1.77 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 91 P 0.00 4.55 0.00 2.13 1.91 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 92 Y 7.80 5.99 0.00 3.08 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 93 V 8.56 4.66 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 1.22 0.00 0.00 1.31 0.00 0.00 94 N 9.43 4.74 0.00 3.04 2.91 0.00 0.00 7.07 7.30 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 95 Q 7.85 4.69 0.00 2.37 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 96 R 8.69 4.36 0.00 1.51 1.78 0.00 3.36 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 97 W 8.90 4.15 0.00 3.23 3.26 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 98 L 7.86 3.79 0.00 1.24 1.24 0.64 0.53 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 99 G 8.19 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 11.30 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 6.72 3.92 0.00 1.33 1.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 102 L 7.86 4.90 0.00 2.24 1.77 1.49 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.26 4.05 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 1.34 0.00 0.00 104 N 8.12 5.21 0.00 2.80 2.77 0.00 0.00 6.76 7.06 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 0.00 105 F 8.63 4.31 0.00 3.22 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 0.00 106 K 8.22 3.71 0.00 1.93 1.85 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.42 7.81 107 T 7.91 3.84 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 108 I 7.61 3.63 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.49 0.00 0.00 109 S 7.23 4.10 0.00 3.52 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 0.00 110 Q 7.39 3.97 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 111 R 7.61 4.00 0.00 2.10 1.95 0.00 3.23 0.00 0.00 3.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 112 V 8.56 3.68 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 1.14 0.00 0.00 1.11 0.00 0.00 113 H 8.43 4.18 0.00 3.23 3.40 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.79 4.23 0.00 1.95 2.02 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 115 L 7.60 3.67 0.00 1.89 1.85 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.31 4.58 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 117 E 9.14 4.40 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 118 L 7.85 3.97 0.00 1.83 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.05 4.19 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 120 A 8.00 4.66 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 0.00 121 L 8.41 4.67 0.00 1.83 1.70 1.02 0.89 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 0.00 122 F 7.98 4.41 0.00 2.98 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 0.00 123 A 7.59 4.54 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 0.00 124 S 7.53 4.61 0.00 3.90 3.68 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 0.00 125 P 0.00 4.33 0.00 2.25 2.29 0.00 3.78 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 2.07 1.99 0.00 126 E 8.43 4.95 0.00 2.06 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 2.41 2.33 0.00 127 I 7.19 3.45 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.88 0.00 0.00 128 E 7.25 3.43 0.00 1.88 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 2.33 2.33 0.00 129 E 6.81 3.95 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 130 R 8.37 4.01 0.00 2.01 2.10 0.00 3.42 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 131 P 0.00 4.25 0.00 2.25 2.23 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 132 K 8.76 3.77 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.57 7.81 133 K 8.14 3.92 0.00 1.80 1.86 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.50 7.81 134 E 8.22 3.92 0.00 2.22 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 2.37 0.00 135 Q 8.10 3.99 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 136 V 8.57 3.64 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 0.95 0.00 0.00 137 R 8.61 3.80 0.00 2.00 2.06 0.00 3.33 0.00 0.00 3.17 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 138 L 8.65 3.99 0.00 1.70 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.96 3.82 0.00 2.09 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.65 1.72 7.81 140 H 8.35 4.11 0.00 3.31 3.39 0.00 5.82 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 8.01 3.91 0.00 2.08 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 2.31 2.32 0.00 142 L 8.58 3.91 0.00 1.69 1.75 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 143 E 9.25 3.79 0.00 2.03 1.86 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 2.43 2.37 0.00 144 R 8.36 3.62 0.00 1.90 2.07 0.00 2.82 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.68 0.00 145 L 7.81 3.93 0.00 1.89 1.81 0.97 1.30 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 0.00 146 Q 8.75 4.03 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 147 K 7.87 3.81 0.00 1.57 1.64 0.00 1.54 0.00 0.00 0.95 0.00 0.00 2.63 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.28 7.81 148 Y 7.94 4.99 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.43 4.83 0.00 1.87 1.70 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.29 4.13 0.00 4.14 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 0.00 151 G 8.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 5.46 4.13 0.00 3.11 2.99 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 0.00 153 R 7.97 4.44 0.00 2.06 2.09 0.00 3.36 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 154 L 7.75 4.04 0.00 1.57 1.65 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.57 4.39 0.00 1.41 1.10 0.49 0.51 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 0.00 156 K 8.21 4.53 0.00 1.72 1.66 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.51 7.81 157 R 8.91 4.02 0.00 2.02 2.01 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 158 L 7.60 3.34 0.00 1.55 1.48 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.39 0.00 2.05 2.12 0.00 3.58 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 160 D 8.11 4.92 0.00 2.52 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 0.00 161 A 6.95 4.90 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 7.94 4.92 1.91 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 1.11 0.89 0.95 0.00 0.00 163 F 8.97 5.56 0.00 2.46 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 0.00 0.00 0.00 164 V 9.20 4.99 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 1.20 0.00 0.00 0.83 0.00 0.00 165 V 8.37 3.73 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 0.57 0.00 0.00 0.90 0.00 0.00 166 D 9.38 4.50 0.00 2.85 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 4.24 0.00 2.25 2.33 0.00 3.77 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 168 T 8.09 3.79 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 1.21 0.00 0.00 169 K 7.33 3.77 0.00 1.86 2.01 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.60 7.81 170 E 8.10 4.51 0.00 1.97 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 171 A 8.52 3.59 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 0.00 172 I 7.82 3.55 2.11 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 1.67 0.71 1.08 0.00 0.00 173 A 8.37 2.58 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.43 3.39 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 0.96 0.00 0.00 0.83 0.00 0.00 175 R 8.54 3.77 0.00 1.89 2.13 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 176 E 8.15 3.97 0.00 2.48 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 0.00 2.55 2.87 0.00 177 A 8.37 4.16 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 0.00 178 R 7.88 3.72 0.00 1.99 2.05 0.00 3.00 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 179 K 7.97 3.85 0.00 1.72 1.95 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 180 L 7.48 4.58 0.00 1.90 1.69 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.30 3.80 0.00 3.27 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 0.00 182 I 7.17 4.13 2.03 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 1.36 0.65 0.97 0.00 0.00 183 P 0.00 4.71 0.00 2.36 2.05 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 184 V 9.27 4.98 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 0.98 0.00 0.00 0.99 0.00 0.00 185 I 8.80 5.14 1.61 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.50 0.98 0.00 0.00 186 A 8.31 5.17 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 0.00 187 L 8.78 4.75 0.00 1.72 1.63 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.44 4.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.41 5.21 0.00 2.62 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 0.00 190 T 8.15 2.84 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 1.03 0.00 0.00 191 D 7.85 4.33 0.00 2.72 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 0.00 192 S 7.61 4.58 0.00 4.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 D 8.34 4.68 0.00 2.74 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 0.00 194 P 0.00 3.89 0.00 2.02 1.93 0.00 3.60 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 1.86 1.63 0.00 195 D 6.49 3.76 0.00 2.81 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 0.00 196 L 7.28 4.40 0.00 1.66 1.69 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.50 4.23 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 0.87 0.00 0.00 1.01 0.00 0.00 198 D 8.61 4.15 0.00 2.62 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 0.00 0.00 0.00 199 Y 7.93 4.49 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 8.33 4.52 1.90 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 1.38 0.55 1.02 0.00 0.00 201 I 7.98 4.79 2.01 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 1.33 1.33 1.05 0.00 0.00 202 P 0.00 4.95 0.00 2.33 2.20 0.00 3.92 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.37 0.00 203 G 9.70 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 0.00 204 N 7.59 3.67 0.00 3.14 2.72 0.00 0.00 7.09 8.35 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 0.00 205 D 8.45 4.84 0.00 2.82 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 0.00 206 D 7.62 4.57 0.00 2.66 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 0.00 207 A 7.59 4.00 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 0.00 0.00 208 I 8.39 3.43 1.81 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 1.62 0.46 0.94 0.00 0.00 209 R 8.02 3.75 0.00 1.75 1.90 0.00 3.07 0.00 0.00 3.14 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 210 S 7.85 4.15 0.00 3.92 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 0.00 211 I 8.55 3.71 1.86 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 1.39 0.58 0.88 0.00 0.00 212 Q 8.78 3.82 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 213 L 8.27 3.92 0.00 1.75 1.84 0.82 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.96 3.84 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.90 1.18 0.00 0.00 215 L 8.50 4.28 0.00 1.77 1.84 0.97 0.76 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 0.00 216 S 9.17 4.60 0.00 4.08 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 0.00 217 R 7.76 4.04 0.00 1.99 1.92 0.00 3.29 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 218 A 8.13 4.50 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 0.00 0.00 0.00 0.00 0.00 219 V 8.83 3.80 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 1.14 0.00 0.00 1.19 0.00 0.00 220 D 8.30 4.33 0.00 3.09 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 0.00 221 L 8.38 3.88 0.00 2.05 2.04 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 222 I 8.15 4.00 1.96 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 1.87 1.06 0.94 0.00 0.00 223 I 8.97 3.82 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.32 0.91 0.00 0.00 224 Q 7.97 4.23 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.49 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 225 A 7.46 4.68 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 0.00 226 R 9.69 4.31 0.00 1.79 2.02 0.00 3.26 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 227 G 9.06 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 0.00 0.00 0.00 228 G 8.60 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 V 7.71 3.79 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 0.83 0.00 0.00 0.93 0.00 0.00 230 V 7.80 4.20 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 0.88 0.00 0.00 0.93 0.00 0.00 231 E 8.47 4.56 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 232 P 0.00 4.76 0.00 2.09 2.11 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 233 S 7.86 4.71 0.00 3.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 P 0.00 4.62 0.00 2.21 2.09 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 235 S 8.33 4.49 0.00 4.00 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 0.00 236 Y 9.08 4.20 0.00 2.93 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 0.00 237 A 7.40 4.10 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 8.12 4.47 0.00 1.72 1.70 0.93 0.59 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 0.00 239 V 7.26 3.21 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 0.77 0.00 0.00 0.69 0.00 0.00 240 Q 8.41 3.96 0.00 2.27 2.30 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 2.22 2.35 0.00 *241 E 7.91 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.