NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0014 8.0549 120.3868 62.7171 33.1204 176.1759 8 K 3.5508 7.7798 118.5265 57.6342 31.8049 176.8295 9 E 3.2957 8.1770 115.2744 56.9605 31.4674 179.5146 10 L 3.7464 7.5761 119.9642 58.2694 42.4415 178.7720 11 L 3.8719 7.9339 118.6645 58.6555 41.6204 179.1741 12 E 3.8265 8.1307 116.8154 59.7007 29.3658 179.1977 13 A 3.4014 8.1466 121.6067 55.7514 18.4170 178.7491 14 G 3.6920 7.7371 104.4280 45.9484 0.0000 174.4875 15 V 4.5625 7.1160 111.7207 59.7366 34.3421 173.8047 16 H 5.0607 8.3244 114.0723 53.7602 30.1652 173.1892 17 F 4.7791 8.7386 112.1549 56.7639 40.5641 169.9075 18 G 4.2746 9.0633 118.6079 43.2986 0.0000 171.2103 19 H 4.8345 8.1801 127.4579 55.2047 33.8731 174.2161 20 E 3.9560 8.5824 115.0487 54.8637 30.7360 175.3374 21 R 4.6585 8.1439 118.2349 55.3208 32.7513 175.3932 22 K 3.9393 9.1838 118.9458 57.2364 30.6600 175.4061 23 R 4.8254 7.7046 116.6884 54.8467 30.3178 173.7458 24 W 5.0257 8.2975 118.3515 55.6227 30.2455 175.1425 25 N 4.3488 8.4412 115.4864 51.4038 41.1875 174.2993 26 P 2.9700 0.0000 0.0000 65.2150 31.7322 177.6908 27 K 3.8954 8.6814 119.1856 59.5706 31.9750 179.2005 28 F 4.0311 7.9711 116.4548 58.7869 38.4860 176.2982 29 A 4.5496 8.2299 123.1536 53.4919 18.4366 179.7551 30 R 4.0667 7.5995 111.4596 57.7372 29.9769 176.2886 31 Y 4.7441 6.6901 116.5435 55.4277 37.5506 173.7336 32 I 4.3748 7.6114 123.0835 60.9946 40.9879 172.7685 33 Y 4.3358 9.5810 130.0008 59.2024 39.0754 174.5881 34 A 4.1946 7.2394 119.2474 52.0590 21.7925 174.3573 35 E 5.0209 8.2648 118.3850 53.7277 29.5385 174.0218 36 R 4.1025 8.0952 123.2710 55.8970 30.8877 175.9866 37 N 4.0749 9.7863 119.3715 53.7142 37.8470 172.6658 38 G 3.6279 7.4972 107.6937 45.6809 0.0000 175.2594 39 I 3.9152 7.4627 122.8657 60.9337 38.9107 174.5769 40 H 4.6766 8.3979 121.6065 55.3755 29.9758 174.9495 41 I 3.9800 9.4181 127.1041 59.5611 37.0839 174.9583 42 I 4.0909 8.1986 127.1414 61.0903 39.0584 175.1146 43 D 4.6074 9.0368 128.1542 53.5702 40.7687 176.5977 44 L 4.5695 8.5841 129.7218 57.1163 41.5992 178.7702 45 Q 3.8928 8.2200 119.3191 59.4585 28.9288 179.0640 46 K 4.6859 8.7086 121.6109 59.5890 32.1660 178.3144 47 T 3.6290 7.9265 115.2509 67.5385 68.3652 175.4630 48 M 3.7417 8.7284 118.9750 58.9570 32.5615 178.2686 49 E 3.9348 7.9597 117.6996 59.8597 29.8716 179.8254 50 E 4.0351 8.0387 117.8526 59.1867 29.4105 179.0312 51 L 4.0170 8.0710 119.4877 58.1848 41.8490 178.5462 52 E 3.8624 8.9091 115.5364 59.5556 29.1883 179.0092 53 R 3.9140 6.7760 116.5589 60.1424 31.0565 177.4532 54 T 3.8819 8.2193 115.7300 66.6853 67.7374 176.4732 55 F 4.0373 8.5322 119.6910 60.5530 38.9434 177.7439 56 R 4.0477 8.5189 118.2576 59.5180 29.7357 178.4366 57 F 4.3185 7.8773 118.3888 61.4523 39.3260 176.5971 58 I 3.4200 7.6864 119.5475 64.4678 37.0442 177.8768 59 E 4.1118 9.4207 119.8924 59.3106 29.3345 177.8977 60 D 4.5146 8.5830 114.8656 55.2686 41.3255 175.8191 61 L 4.3266 7.4745 119.1372 56.7471 44.1801 178.1662 62 A 4.0432 8.9316 121.2684 54.3193 18.3077 177.6392 63 M 4.4288 7.8586 111.3973 55.1642 31.9364 176.4982 64 R 4.4858 7.7086 116.5321 55.8926 30.1791 175.7829 65 G 3.9093 8.2557 103.0268 47.9588 0.0000 174.5640 66 G 4.1162 7.8607 106.0227 43.4168 0.0000 172.9845 67 T 4.5110 8.3465 113.6784 60.8547 70.8086 173.6413 68 I 4.8046 8.4392 123.5922 59.4377 41.0930 174.5876 69 L 5.0951 8.3874 126.8898 53.6707 44.3257 175.2845 70 F 5.6631 9.3338 125.0451 56.0040 40.9986 175.3337 71 V 4.9865 8.1566 120.4267 61.9163 35.6514 174.2007 72 G 4.1673 9.2725 112.9373 46.2360 0.0000 173.0765 73 T 4.8101 8.5667 116.0848 60.6801 69.4790 174.7918 74 K 4.5281 7.5863 121.9256 55.1931 34.6671 177.2262 75 K 3.9430 8.7148 123.2959 59.8961 32.2703 178.5661 76 Q 4.4559 7.9989 115.8701 55.9252 28.2234 175.5679 77 A 4.6301 7.9448 121.9925 52.0118 22.7210 178.4430 78 Q 4.0759 7.8356 118.1249 57.3471 28.2203 179.7379 79 D 4.0971 7.6040 119.3107 55.9359 42.4990 179.3901 80 I 3.5859 7.9839 113.8038 63.3281 37.8003 178.0479 81 V 3.4766 7.8446 121.0689 65.3555 30.5693 177.9472 82 R 3.6100 8.1611 118.6597 59.9946 29.9585 177.5134 83 M 4.0709 8.4964 118.8293 56.5346 31.5767 178.2107 84 E 3.6948 8.0049 122.5558 59.2306 30.4169 179.4552 85 A 3.6015 7.0885 120.2824 54.9398 18.5717 179.4846 86 E 3.9061 7.1239 114.7944 58.9396 29.8080 178.2049 87 R 4.2715 7.8111 118.0210 56.2501 31.4457 175.7543 88 A 4.2246 8.1048 121.4622 51.0819 22.4479 178.4700 89 G 3.8867 8.0778 103.3576 46.0529 0.0000 173.3143 90 M 4.4931 7.3925 118.6414 53.5157 33.0232 174.7565 91 P 4.8250 0.0000 0.0000 63.5215 33.0454 174.0454 92 Y 5.9729 8.4294 117.8868 57.8411 41.4163 173.5891 93 V 4.3342 8.2547 118.5153 61.5999 34.0174 174.8475 94 N 5.1543 9.1049 125.0513 53.2923 41.7189 175.2063 95 Q 4.6069 7.7761 121.5164 55.8996 27.8409 177.4859 96 R 4.1625 8.8384 127.9990 56.0952 29.4890 176.5807 97 W 4.1356 8.6292 134.1751 56.5561 28.6371 175.0311 98 L 3.6027 7.4758 123.0400 54.1182 41.9333 177.2740 99 G 3.6537 8.1802 110.3971 46.1427 0.0000 174.0444 100 G 3.8407 10.9914 113.1933 45.9196 0.0000 174.9960 101 M 3.9730 6.9749 118.9983 57.0216 32.2161 178.3979 102 L 4.0423 8.6199 122.7729 58.8485 42.3214 179.4626 103 T 4.1763 9.0763 114.7260 65.8465 68.7442 174.5935 104 N 4.7969 8.8040 121.6556 51.3291 39.2939 175.8163 105 F 4.4185 8.2067 119.4527 61.4606 38.9323 175.4736 106 K 3.7323 8.2442 118.0227 60.2659 31.7931 178.5226 107 T 4.5355 7.6386 115.2350 65.7127 68.8178 176.7404 108 I 3.8157 8.0130 122.2577 64.2179 37.1071 178.2176 109 S 3.9607 8.8090 117.3339 62.4570 62.5606 177.2361 110 Q 3.8646 7.5303 119.2384 58.9791 28.2645 180.2894 111 R 3.9745 8.3049 119.5214 58.8851 30.0240 178.6658 112 V 3.6161 8.0268 118.5498 66.7675 31.3643 177.8098 113 H 4.2209 8.2458 115.0152 58.9093 28.4116 177.6299 114 R 3.9284 7.7800 120.4668 59.2076 29.7439 177.7085 115 L 4.0390 8.2415 121.5023 57.9433 41.9890 178.4443 116 E 3.8997 8.2085 117.1545 59.6586 29.0668 178.7640 117 E 3.9209 8.2488 119.3981 59.1887 29.4428 179.0213 118 L 4.1320 7.5431 117.7972 56.7162 42.2959 178.2742 119 E 3.9296 8.5317 118.5148 59.2689 29.7324 178.5960 120 A 4.3050 8.4026 120.7963 54.6269 18.9180 178.9969 121 L 4.1211 7.2676 116.1679 56.9312 42.1372 178.3940 122 F 4.6127 8.4946 120.4369 60.5684 39.6164 175.0713 123 A 3.9242 7.0963 127.0710 51.2227 17.9308 176.0457 124 S 4.4988 7.5000 114.1614 58.0615 65.2134 175.1236 125 P 4.4682 0.0000 0.0000 64.2803 31.9023 177.7184 126 E 4.1708 7.9163 119.1287 58.3045 29.4492 178.7079 127 I 3.9545 7.1893 118.5193 63.4014 37.5186 176.8430 128 E 4.0852 8.0393 121.1581 58.6505 30.1914 176.7063 129 E 4.5113 7.3806 119.3795 56.1360 29.6667 171.8399 130 R 3.9342 8.7674 132.2361 56.1243 30.4531 174.9997 131 P 4.5077 0.0000 0.0000 62.2404 33.6531 177.2154 132 K 3.9424 8.5901 119.0142 59.2382 31.9779 178.9189 133 K 3.8740 8.0620 118.6466 59.7418 32.0597 178.7489 134 E 4.0390 8.0785 117.9198 59.3350 29.3476 178.7654 135 Q 4.1579 8.1493 118.1342 59.0059 28.6393 179.5220 136 V 3.6693 7.7356 118.4368 65.5458 31.6128 177.4203 137 R 3.8834 7.9715 118.2726 59.8476 29.7651 178.0753 138 L 4.3998 8.7949 118.4594 57.8246 41.8508 179.5951 139 K 3.9038 7.7288 117.6535 60.1255 32.2404 178.7404 140 H 4.1195 8.5345 118.1662 59.3408 29.4347 176.8035 141 E 3.9653 9.1933 121.9302 58.8294 28.8198 178.3183 142 L 4.1219 8.1445 120.3238 57.3143 42.3095 177.8394 143 E 3.9812 7.7540 117.9037 59.6252 29.7355 179.5643 144 R 3.8415 7.7118 115.0951 59.0047 29.6264 178.0540 145 L 3.9146 7.4354 120.7479 58.2159 41.8196 178.9957 146 Q 4.0013 8.9674 117.9079 58.4371 29.0393 177.4696 147 K 3.9090 8.0536 120.0779 58.3436 32.1883 177.1836 148 Y 4.7667 7.4566 114.9676 58.1459 39.9889 176.7542 149 L 4.6026 7.6450 117.4777 54.5651 42.0393 177.9889 150 S 4.3148 8.1531 116.3257 60.9411 63.0204 175.0479 151 G 3.2860 7.6160 106.7023 44.4288 0.0000 171.7759 152 F 4.9120 8.5103 122.2114 55.7347 38.0663 173.4909 153 R 4.3998 7.3432 120.2200 54.1617 37.7400 181.4860 154 L 2.8068 7.1849 116.9868 54.6130 43.8036 176.0323 155 L 4.4586 8.3033 122.9570 54.2522 43.9259 177.8339 156 K 4.5434 8.4060 125.9989 54.8544 31.6661 176.8410 157 R 4.7327 7.5014 116.4062 54.8123 33.3990 174.1713 158 L 3.6027 8.2356 124.3278 54.2127 42.1804 175.2941 159 P 4.5279 0.0000 0.0000 62.7500 31.9376 176.3605 160 D 4.5996 7.9826 117.9657 54.5413 41.4098 175.9579 161 A 4.7470 7.3310 120.0723 51.9456 22.8143 174.9023 162 I 4.6868 8.0603 111.2856 59.9551 41.2381 173.8601 163 F 5.9389 8.4693 128.5460 56.2431 41.5601 174.4370 164 V 4.7836 8.1304 122.5866 62.0057 35.3207 176.0544 165 V 3.8957 8.4195 122.9117 62.0068 31.9212 179.0662 166 D 4.4551 9.3588 135.0000 53.6069 40.7515 173.5013 167 P 4.1637 0.0000 0.0000 66.4603 30.8602 178.0053 168 T 3.9271 7.3320 109.7182 64.1339 68.3930 175.6290 169 K 4.1328 7.8424 121.3070 58.3468 32.4794 177.2973 170 E 4.5405 8.3191 118.1537 55.5045 30.3054 177.7110 171 A 3.8972 8.0443 123.8518 55.4932 18.0574 180.1595 172 I 3.5667 7.6662 117.5155 64.5382 37.1286 177.9040 173 A 2.5800 7.4155 121.2771 54.6713 17.9418 179.6486 174 V 3.3319 7.1891 115.7102 66.6531 31.6581 177.3913 175 R 3.7454 8.8036 118.4177 59.5763 29.8344 177.9885 176 E 3.9875 8.7224 118.7483 59.2841 29.5031 179.4118 177 A 4.0014 8.2446 120.7887 55.5757 18.4798 179.6385 178 R 3.8722 8.3353 117.1230 59.4699 29.8671 178.6479 179 K 3.7560 7.9826 118.5872 58.5933 32.2374 177.8213 180 L 4.4949 7.4094 116.2672 52.8436 42.5455 175.6062 181 F 3.7412 7.1909 119.5634 57.7699 35.9797 173.6811 182 I 4.4167 8.1675 123.6546 59.2541 40.5398 173.1949 183 P 4.3566 0.0000 0.0000 62.5521 32.3749 175.1861 184 V 4.7629 8.7029 125.6795 61.0738 33.4751 174.4515 185 I 5.2204 8.4355 121.0396 59.3301 40.7258 174.2547 186 A 5.1494 8.7891 123.9661 51.6686 23.3776 175.4377 187 L 5.4003 9.8896 123.4353 53.4804 41.9130 175.4070 188 A 4.9361 8.5774 127.6351 50.1678 21.2482 175.6048 189 D 4.7615 8.0919 120.3120 52.3138 41.7876 176.8962 190 T 2.4902 8.1330 107.4020 63.6466 69.2883 173.6450 191 D 4.7104 7.0368 122.7310 53.5611 41.3854 175.6024 192 S 4.5377 7.2365 111.5270 57.4198 67.0055 173.8391 193 D 4.8594 8.3721 122.4456 50.8187 40.1845 173.8422 194 P 4.0239 0.0000 0.0000 62.7747 30.9223 181.9808 195 D 3.7082 6.8615 117.3105 55.0266 43.4922 176.2834 196 L 4.2914 7.5251 120.4486 56.0010 40.5262 176.8867 197 V 4.3338 7.8682 119.0745 61.9422 33.5805 174.6521 198 D 4.1251 8.6214 128.0372 56.6409 40.9985 176.7329 199 Y 4.2977 8.6773 124.9077 56.3687 39.0730 173.8807 200 I 4.4826 8.1444 125.1795 60.7299 38.3563 176.2753 201 I 4.3913 9.2795 130.6230 58.8352 37.3776 172.0838 202 P 5.2150 0.0000 0.0000 61.8110 31.8345 176.2925 203 G 4.6296 9.3731 119.2652 46.3717 0.0000 171.2287 204 N 3.7303 7.3620 120.1019 51.2864 40.0698 173.7921 205 D 4.8782 8.1939 123.1014 53.2130 40.7288 175.7521 206 D 4.5821 7.7818 118.0657 55.8931 43.0841 176.1274 207 A 4.0606 7.9775 124.3809 52.1795 17.9313 177.6535 208 I 3.7112 8.5088 124.4133 65.3172 36.4754 178.1666 209 R 3.8914 8.0745 118.5703 59.7372 29.9355 178.6635 210 S 4.2775 8.1230 112.1731 61.2801 62.4022 176.0262 211 I 3.6779 7.7779 122.1343 64.6785 36.7695 177.4174 212 Q 3.8989 8.3356 120.3392 59.8979 28.9180 177.8303 213 L 4.0719 7.7372 119.1124 59.2267 41.8047 179.0965 214 I 3.9278 8.1302 121.0669 64.2950 37.3994 177.9399 215 L 4.4503 8.2815 121.3390 58.4953 42.0059 177.6266 216 S 4.9769 9.1914 115.5549 60.0892 61.9717 175.5165 217 R 3.8928 8.2529 121.9763 58.5979 30.5106 178.7635 218 A 4.5446 7.8507 121.3169 55.2448 18.7384 179.7442 219 V 3.5954 8.0652 116.7712 66.2617 31.5171 177.4952 220 D 4.3575 8.2115 118.0913 57.7520 39.7531 178.4799 221 L 3.4867 7.7654 120.3733 58.5979 41.7042 179.3038 222 I 4.0827 7.6372 118.9219 64.0020 37.4111 177.8031 223 I 4.0347 7.9068 120.6213 63.5696 37.0654 177.6641 224 Q 3.9839 8.7403 120.7697 58.1091 30.0348 177.8777 225 A 4.5746 6.7644 123.1229 48.7859 16.0403 175.0453 226 R 4.3311 7.8123 129.3564 54.5655 33.2791 173.5138 227 G 3.8336 7.5756 108.3322 46.0967 0.0000 171.8645 228 G 3.1185 8.7067 115.7855 44.9036 0.0000 174.0042 229 V 3.6451 7.8250 121.0418 63.0302 32.2037 174.9157 230 V 4.4735 7.8905 122.1347 60.1926 34.4576 174.7648 231 E 4.3171 8.5477 119.2818 55.4253 30.7309 173.9236 232 P 4.4063 0.0000 0.0000 62.8348 31.8041 175.5758 233 S 4.6218 8.0712 113.8422 55.5968 64.9397 171.6819 234 P 4.2946 0.0000 0.0000 63.6828 30.2587 175.5862 235 S 4.4337 8.7199 118.0263 59.7996 64.3741 174.4979 236 Y 4.4843 7.8744 117.2077 56.6886 38.8401 174.1550 237 A 4.5844 8.1419 125.1373 53.2654 24.7315 176.8648 238 L 4.5072 7.6292 112.9741 56.0456 41.5694 176.3343 239 V 3.8041 7.9962 120.2586 64.4683 28.6824 174.2319 240 Q 3.5833 8.1358 130.5170 57.4506 29.0262 173.6336 *241 E 4.1630 7.9877 115.9393 56.0700 30.4602 177.5002 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 4.00 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 0.96 0.00 0.00 0.90 0.00 0.00 8 K 7.78 3.55 0.00 1.87 1.63 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.42 7.81 9 E 8.18 3.30 0.00 1.94 1.70 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 2.36 2.37 0.00 10 L 7.58 3.75 0.00 1.66 1.66 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.93 3.87 0.00 1.70 1.59 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.13 3.83 0.00 1.99 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 2.38 2.34 0.00 13 A 8.15 3.40 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.74 3.69 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 0.00 0.00 0.00 15 V 7.12 4.56 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 0.69 0.00 0.00 0.83 0.00 0.00 16 H 8.32 5.06 0.00 3.10 3.28 0.00 5.89 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 8.74 4.78 0.00 3.14 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 9.06 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 0.00 0.00 0.00 0.00 19 H 8.18 4.83 0.00 3.07 2.61 0.00 5.97 0.00 0.00 0.00 0.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.58 3.96 0.00 1.88 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 2.42 2.29 0.00 21 R 8.14 4.66 0.00 1.97 1.96 0.00 2.97 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 22 K 9.18 3.94 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 23 R 7.70 4.83 0.00 1.69 1.82 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 24 W 8.30 5.03 0.00 3.54 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.44 4.35 0.00 2.53 2.56 0.00 0.00 6.68 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 1.92 1.55 0.00 3.36 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 27 K 8.68 3.90 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.40 7.81 28 F 7.97 4.03 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.23 4.55 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.07 0.00 1.79 1.91 0.00 2.63 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 31 Y 6.69 4.74 0.00 1.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.37 2.14 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 1.37 0.45 1.14 0.00 0.00 33 Y 9.58 4.34 0.00 2.89 3.13 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 34 A 7.24 4.19 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.26 5.02 0.00 1.59 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 2.04 2.14 0.00 36 R 8.10 4.10 0.00 1.90 1.81 0.00 3.38 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 37 N 9.79 4.07 0.00 2.76 2.79 0.00 0.00 7.30 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 7.50 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.46 3.92 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.96 0.00 0.00 40 H 8.40 4.68 0.00 3.34 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.42 3.98 1.99 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 1.04 0.54 0.84 0.00 0.00 42 I 8.20 4.09 2.10 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 1.39 0.97 1.10 0.00 0.00 43 D 9.04 4.61 0.00 3.06 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 44 L 8.58 4.57 0.00 1.75 1.70 1.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.22 3.89 0.00 2.02 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 46 K 8.71 4.69 0.00 2.17 1.80 0.00 1.88 0.00 0.00 2.06 0.00 0.00 3.25 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.55 7.81 47 T 7.93 3.63 4.36 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 1.32 0.00 0.00 48 M 8.73 3.74 0.00 2.22 2.03 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 2.61 2.64 0.00 49 E 7.96 3.93 0.00 2.31 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 2.35 2.55 0.00 50 E 8.04 4.04 0.00 2.05 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 0.00 2.07 1.93 0.00 51 L 8.07 4.02 0.00 2.01 2.09 1.08 1.22 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 52 E 8.91 3.86 0.00 2.09 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 2.37 2.40 0.00 53 R 6.78 3.91 0.00 2.05 1.98 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 54 T 8.22 3.88 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 0.81 0.00 0.00 55 F 8.53 4.04 0.00 3.07 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 56 R 8.52 4.05 0.00 1.98 2.08 0.00 3.34 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 1.73 1.88 0.00 57 F 7.88 4.32 0.00 2.44 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 58 I 7.69 3.42 2.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.88 0.00 0.00 59 E 9.42 4.11 0.00 2.02 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 2.29 2.46 0.00 60 D 8.58 4.51 0.00 2.77 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 61 L 7.47 4.33 0.00 1.19 1.38 0.78 0.48 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 62 A 8.93 4.04 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 63 M 7.86 4.43 0.00 2.10 2.16 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 2.46 2.64 0.00 64 R 7.71 4.49 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 65 G 8.26 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 66 G 7.86 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 67 T 8.35 4.51 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 1.24 0.00 0.00 68 I 8.44 4.80 2.16 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 1.20 0.50 0.67 0.00 0.00 69 L 8.39 5.10 0.00 1.80 1.62 1.23 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.33 5.66 0.00 3.21 3.04 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 71 V 8.16 4.99 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 1.03 0.00 0.00 1.11 0.00 0.00 72 G 9.27 4.17 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 0.00 0.00 0.00 73 T 8.57 4.81 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 1.37 0.00 0.00 74 K 7.59 4.53 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.41 7.81 75 K 8.71 3.94 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.43 7.81 76 Q 8.00 4.46 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 77 A 7.94 4.63 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 78 Q 7.84 4.08 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.35 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 79 D 7.60 4.10 0.00 2.83 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 80 I 7.98 3.59 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.86 0.00 0.00 81 V 7.84 3.48 2.44 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 1.10 0.00 0.00 1.04 0.00 0.00 82 R 8.16 3.61 0.00 1.91 2.06 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 83 M 8.50 4.07 0.00 1.98 2.01 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 2.57 2.81 0.00 84 E 8.00 3.69 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 85 A 7.09 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.12 3.91 0.00 1.86 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 2.30 2.17 0.00 87 R 7.81 4.27 0.00 1.73 1.82 0.00 3.42 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 88 A 8.10 4.22 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 89 G 8.08 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 7.39 4.49 0.00 2.43 1.90 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.90 0.00 91 P 0.00 4.82 0.00 2.20 2.15 0.00 4.05 0.00 0.00 4.07 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 92 Y 8.43 5.97 0.00 3.10 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 93 V 8.25 4.33 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 1.16 0.00 0.00 1.22 0.00 0.00 94 N 9.10 5.15 0.00 2.99 2.94 0.00 0.00 7.32 7.08 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 95 Q 7.78 4.61 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 96 R 8.84 4.16 0.00 1.44 1.72 0.00 3.39 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 97 W 8.63 4.14 0.00 3.23 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.48 3.60 0.00 1.03 1.23 0.62 0.56 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 99 G 8.18 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 0.00 100 G 10.99 3.84 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 0.00 0.00 0.00 101 M 6.97 3.97 0.00 1.85 1.41 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 102 L 8.62 4.04 0.00 1.81 1.84 1.49 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.08 4.18 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 1.25 0.00 0.00 104 N 8.80 4.80 0.00 2.64 2.83 0.00 0.00 6.61 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.21 4.42 0.00 3.34 3.13 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 0.00 106 K 8.24 3.73 0.00 1.89 1.86 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 107 T 7.64 4.54 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 108 I 8.01 3.82 2.04 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.87 0.77 0.00 0.00 109 S 8.81 3.96 0.00 3.65 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 0.00 110 Q 7.53 3.86 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 111 R 8.30 3.97 0.00 1.94 1.96 0.00 3.29 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 112 V 8.03 3.62 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 1.04 0.00 0.00 1.00 0.00 0.00 113 H 8.25 4.22 0.00 3.37 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.78 3.93 0.00 1.88 2.03 0.00 3.16 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 1.63 1.69 0.00 115 L 8.24 4.04 0.00 1.74 1.85 0.94 0.74 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 0.00 116 E 8.21 3.90 0.00 2.21 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 0.00 2.35 2.32 0.00 117 E 8.25 3.92 0.00 2.22 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 0.00 2.56 2.50 0.00 118 L 7.54 4.13 0.00 1.78 1.73 0.93 0.75 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 0.00 119 E 8.53 3.93 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 120 A 8.40 4.30 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 0.00 121 L 7.27 4.12 0.00 1.84 1.76 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.49 4.61 0.00 3.02 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 0.00 123 A 7.10 3.92 1.15 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 0.00 0.00 124 S 7.50 4.50 0.00 3.77 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.47 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 126 E 7.92 4.17 0.00 1.99 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 2.32 2.27 0.00 127 I 7.19 3.95 1.82 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 1.27 0.61 0.89 0.00 0.00 128 E 8.04 4.09 0.00 1.97 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 2.32 2.33 0.00 129 E 7.38 4.51 0.00 2.05 1.76 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 2.26 2.25 0.00 130 R 8.77 3.93 0.00 1.97 1.99 0.00 3.38 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 131 P 0.00 4.51 0.00 2.26 2.18 0.00 3.71 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 2.07 2.02 0.00 132 K 8.59 3.94 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 133 K 8.06 3.87 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 134 E 8.08 4.04 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 135 Q 8.15 4.16 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 136 V 7.74 3.67 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 1.02 0.00 0.00 137 R 7.97 3.88 0.00 2.16 1.89 0.00 3.34 0.00 0.00 3.19 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 138 L 8.79 4.40 0.00 1.70 1.72 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.73 3.90 0.00 2.17 1.94 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.69 7.81 140 H 8.53 4.12 0.00 3.47 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 9.19 3.97 0.00 2.04 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 2.32 2.35 0.00 142 L 8.14 4.12 0.00 1.78 1.79 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.75 3.98 0.00 2.02 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 0.00 2.60 2.47 0.00 144 R 7.71 3.84 0.00 2.09 2.10 0.00 2.84 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 145 L 7.44 3.91 0.00 2.07 1.85 0.99 0.56 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 8.97 4.00 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 147 K 8.05 3.91 0.00 1.71 1.44 0.00 1.53 0.00 0.00 1.15 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.55 1.13 7.81 148 Y 7.46 4.77 0.00 2.88 2.81 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 0.00 149 L 7.64 4.60 0.00 1.73 1.96 0.99 0.95 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 0.00 150 S 8.15 4.31 0.00 3.84 4.04 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 0.00 151 G 7.62 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 0.00 0.00 0.00 152 F 8.51 4.91 0.00 2.88 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 7.34 4.40 0.00 1.80 1.73 0.00 3.28 0.00 0.00 3.25 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 154 L 7.18 2.81 0.00 1.73 1.85 1.08 1.00 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 0.00 155 L 8.30 4.46 0.00 1.64 1.63 0.94 0.88 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 0.00 156 K 8.41 4.54 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 157 R 7.50 4.73 0.00 1.78 1.77 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 158 L 8.24 3.60 0.00 1.55 1.44 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.53 0.00 2.10 2.06 0.00 3.58 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 160 D 7.98 4.60 0.00 2.61 2.70 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 0.00 161 A 7.33 4.75 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 0.00 162 I 8.06 4.69 1.93 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 1.14 0.53 0.97 0.00 0.00 163 F 8.47 5.94 0.00 2.34 1.71 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 0.00 164 V 8.13 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 1.05 0.00 0.00 0.89 0.00 0.00 165 V 8.42 3.90 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 0.62 0.00 0.00 0.92 0.00 0.00 166 D 9.36 4.46 0.00 2.91 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.16 0.00 2.28 2.29 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 168 T 7.33 3.93 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 1.20 0.00 0.00 169 K 7.84 4.13 0.00 1.92 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.62 7.81 170 E 8.32 4.54 0.00 1.85 1.56 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 2.11 2.19 0.00 171 A 8.04 3.90 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 7.67 3.57 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.41 1.15 0.00 0.00 173 A 7.42 2.58 -0.28 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 0.00 174 V 7.19 3.33 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 0.88 0.00 0.00 0.87 0.00 0.00 175 R 8.80 3.75 0.00 1.94 2.03 0.00 3.19 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 176 E 8.72 3.99 0.00 2.52 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 2.50 2.68 0.00 177 A 8.24 4.00 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 8.34 3.87 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 179 K 7.98 3.76 0.00 1.70 1.87 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 180 L 7.41 4.49 0.00 1.81 1.71 1.05 0.77 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 0.00 181 F 7.19 3.74 0.00 3.26 3.04 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 0.00 182 I 8.17 4.42 1.91 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 1.36 0.59 0.96 0.00 0.00 183 P 0.00 4.36 0.00 2.51 2.25 0.00 3.89 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 2.46 2.29 0.00 184 V 8.70 4.76 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 0.97 0.00 0.00 185 I 8.44 5.22 1.63 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 1.32 0.86 1.05 0.00 0.00 186 A 8.79 5.15 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 0.00 187 L 9.89 5.40 0.00 1.81 1.78 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.58 4.94 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 0.00 189 D 8.09 4.76 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 T 8.13 2.49 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 191 D 7.04 4.71 0.00 2.76 2.62 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 0.00 192 S 7.24 4.54 0.00 3.77 3.69 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 0.00 193 D 8.37 4.86 0.00 2.75 2.63 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 0.00 194 P 0.00 4.02 0.00 2.18 2.14 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 195 D 6.86 3.71 0.00 2.70 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 0.00 196 L 7.53 4.29 0.00 1.70 1.72 1.05 0.50 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 0.00 197 V 7.87 4.33 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 0.86 0.00 0.00 1.04 0.00 0.00 198 D 8.62 4.13 0.00 2.67 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 0.00 0.00 0.00 199 Y 8.68 4.30 0.00 2.80 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 0.00 200 I 8.14 4.48 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 1.14 0.00 0.00 201 I 9.28 4.39 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 1.23 0.97 1.04 0.00 0.00 202 P 0.00 5.21 0.00 2.17 2.04 0.00 3.85 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 1.92 1.55 0.00 203 G 9.37 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 0.00 204 N 7.36 3.73 0.00 2.72 2.72 0.00 0.00 6.87 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 8.19 4.88 0.00 2.77 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 0.00 206 D 7.78 4.58 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 7.98 4.06 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 0.00 208 I 8.51 3.71 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 1.72 0.66 0.86 0.00 0.00 209 R 8.07 3.89 0.00 1.79 1.94 0.00 3.26 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 210 S 8.12 4.28 0.00 4.02 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 0.00 211 I 7.78 3.68 1.97 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 1.51 0.60 0.88 0.00 0.00 212 Q 8.34 3.90 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 213 L 7.74 4.07 0.00 1.76 1.80 0.71 1.00 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 0.00 214 I 8.13 3.93 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.04 1.19 0.00 0.00 215 L 8.28 4.45 0.00 2.01 1.79 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 216 S 9.19 4.98 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.25 3.89 0.00 1.87 1.83 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 218 A 7.85 4.54 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 0.00 0.00 219 V 8.07 3.60 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 1.13 0.00 0.00 0.95 0.00 0.00 220 D 8.21 4.36 0.00 2.78 2.70 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 0.00 221 L 7.77 3.49 0.00 1.83 2.01 0.98 1.02 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 0.00 222 I 7.64 4.08 2.12 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 1.65 1.08 0.96 0.00 0.00 223 I 7.91 4.03 1.98 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 1.40 1.22 0.90 0.00 0.00 224 Q 8.74 3.98 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 225 A 6.76 4.57 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 0.00 226 R 7.81 4.33 0.00 1.74 2.07 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 227 G 7.58 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.71 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 0.00 0.00 0.00 229 V 7.82 3.65 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 0.82 0.00 0.00 0.92 0.00 0.00 230 V 7.89 4.47 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 0.89 0.00 0.00 0.92 0.00 0.00 231 E 8.55 4.32 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 2.25 2.32 0.00 232 P 0.00 4.41 0.00 2.10 2.10 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 8.07 4.62 0.00 3.93 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 0.00 234 P 0.00 4.29 0.00 2.20 2.18 0.00 3.73 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 1.97 1.96 0.00 235 S 8.72 4.43 0.00 3.68 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 0.00 236 Y 7.87 4.48 0.00 2.91 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 0.00 237 A 8.14 4.58 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 0.00 238 L 7.63 4.51 0.00 1.72 1.70 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 239 V 8.00 3.80 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 0.63 0.00 0.00 0.78 0.00 0.00 240 Q 8.14 3.58 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 *241 E 7.99 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.