NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0214 7.9014 114.0567 63.5479 33.1306 176.2824 4 G 4.6728 8.5403 115.6528 46.6758 0.0000 172.1138 5 Y 4.4985 9.2030 122.9401 57.2486 37.8317 167.5622 6 G 4.1709 8.4628 104.9438 45.1965 0.0000 174.3094 7 D 4.6638 6.0500 130.8176 52.3265 41.4678 175.7794 8 I 3.7693 8.3391 128.6044 63.9455 38.2173 177.7099 9 T 4.0811 8.3295 109.3322 63.4202 68.7899 175.0123 10 Q 4.5413 7.9570 119.9504 55.4733 29.3681 175.3689 11 V 3.9778 7.3272 118.7143 62.1583 32.2595 175.5517 12 E 4.4069 8.5950 126.4032 56.1885 30.4289 175.9132 13 T 4.6124 8.0918 115.8097 60.9139 70.7046 173.4115 14 S 4.5195 8.7564 121.2332 57.2957 64.0989 175.5263 15 G 3.9423 8.1633 110.0760 45.8486 0.0000 173.3990 16 A 4.3553 8.0714 122.4357 51.6097 19.5954 177.7734 17 S 4.7466 8.9453 116.8839 57.7300 65.5242 175.9093 18 S 4.1371 8.3900 119.0080 60.7990 62.2348 176.7632 19 K 3.8277 7.8967 121.0875 59.9057 32.2357 178.3011 20 T 3.9787 7.7016 113.1920 65.1046 67.3367 176.2814 21 S 3.9771 8.2067 116.2054 61.4272 62.7679 176.5365 22 R 4.0088 7.9892 121.3659 58.7304 29.4370 178.7178 23 Q 4.0101 7.9241 117.9211 58.6291 27.4437 176.9974 24 D 4.5995 7.8551 117.0676 53.3982 41.0123 176.8753 25 K 4.0174 7.7109 117.2369 57.2334 30.1271 175.7386 26 L 3.9774 7.0057 117.3454 54.8849 41.9724 176.9325 27 E 4.5192 8.4726 120.9763 56.0918 29.6442 174.9793 28 Y 4.9770 6.7850 116.1835 55.3747 41.1949 173.5947 29 D 4.9420 8.1386 118.8067 52.7290 42.6053 175.0020 30 G 4.6627 8.5745 107.0218 45.5439 0.0000 174.7574 31 V 3.5130 8.3774 116.8327 66.0905 31.5908 179.0867 32 R 3.8861 8.0539 117.1009 59.2964 29.8760 178.6252 33 A 4.0030 7.8480 119.3102 55.3083 17.9244 179.6402 34 S 4.0934 8.1461 113.6659 62.3188 62.9587 176.8385 35 H 4.0370 8.5003 118.9128 59.0432 28.3249 178.0415 36 T 3.6979 7.9439 117.4686 66.8641 68.0721 176.6741 37 M 4.0428 7.8816 119.2946 58.0842 32.2265 178.3142 38 A 3.9782 7.7776 122.4911 54.4976 18.3831 179.1798 39 Q 2.7460 6.9394 118.1577 59.4933 28.6740 178.8830 40 T 3.8240 7.6127 115.4418 66.3929 68.9363 175.3226 41 D 4.7111 7.9167 118.3682 54.6478 41.1387 178.2378 42 A 4.4999 7.6569 121.6979 55.2053 18.4503 179.7028 43 G 3.7324 8.1136 103.6438 48.2567 0.0000 176.1680 44 R 3.9651 8.0133 120.6077 58.8835 30.1456 178.6862 45 M 4.2358 8.2728 118.1865 58.4629 32.2302 177.8859 46 E 4.0244 8.0304 119.0428 59.3981 29.3678 179.0894 47 K 3.6189 7.3496 118.4726 58.7930 32.2644 177.3248 48 Y 4.4361 7.3296 114.5133 57.3741 38.3714 177.1923 49 K 4.0771 7.8113 122.6466 59.7860 32.2690 178.7449 50 S 4.1251 7.8464 114.6444 61.6056 62.7856 176.1840 51 F 4.5369 8.0307 119.9169 61.1018 38.7120 177.5341 52 I 3.8102 8.3436 119.3689 64.7459 36.8731 178.3388 53 N 4.4569 8.4798 117.1127 56.2280 38.3932 177.1107 54 N 4.3375 8.3171 117.9228 56.5693 38.7557 177.6558 55 V 3.6452 8.1717 119.3382 65.7236 31.6481 177.5550 56 A 4.1392 8.5342 121.3818 55.3724 17.6981 179.8006 57 K 3.9768 8.3648 117.2658 60.0236 32.3727 179.1899 58 K 3.9583 7.9807 119.9906 59.0151 32.2506 177.5896 59 H 4.6598 8.2267 113.1903 54.3538 30.2924 174.7997 60 V 3.3536 7.5462 119.7608 64.3019 30.2637 172.1200 61 V 4.7931 7.6419 117.1504 60.5994 34.7166 174.2774 62 D 4.5281 8.6794 125.9022 53.4335 41.7345 175.2495 63 P 4.3765 0.0000 0.0000 66.1220 31.0425 178.4057 64 A 4.0284 8.8392 120.8852 54.9861 18.2309 179.7632 65 V 3.6041 7.8870 117.0006 65.9074 31.4980 178.4264 66 I 3.5742 7.6793 118.9256 64.2822 37.0329 177.7357 67 A 3.5418 8.0001 121.6701 55.2257 17.8514 179.5705 68 A 4.1153 8.0055 118.9358 55.3949 18.3717 179.9888 69 I 3.5962 7.8328 118.3405 64.4583 37.1475 178.5126 70 I 3.8365 7.8766 120.9269 64.5764 36.9194 178.3969 71 S 4.1661 8.3125 114.1440 61.4035 62.0541 176.2303 72 R 3.8479 8.0355 120.5369 59.4121 29.8927 178.0508 73 E 4.3759 8.4141 117.9905 58.6836 29.8402 177.9435 74 S 4.6074 7.3966 108.8013 56.9016 64.6993 173.8063 75 R 4.5243 9.1237 118.1230 56.6917 27.9314 176.0294 76 A 3.5407 9.0888 114.8938 53.8124 16.6378 179.2408 77 G 4.4486 8.3999 107.2557 46.9145 0.0000 175.3175 78 N 4.3316 7.6246 116.8014 56.0798 39.0295 175.1002 *92 Y 4.6932 7.7091 114.4254 56.9624 39.6217 175.6364 93 N 4.5016 7.8755 119.8925 55.9836 39.7792 175.1660 94 G 4.2412 8.0891 105.8791 45.4121 0.0000 173.0240 95 F 4.8141 9.3849 126.1931 57.4105 42.4639 175.8762 96 G 3.6535 8.2477 112.6431 44.1105 0.0000 173.3448 97 L 4.0612 8.1472 118.1546 57.6931 41.4832 178.6668 98 M 4.5317 8.3738 114.2596 54.3065 32.9385 175.5639 99 Q 3.5673 8.0586 116.7733 56.4226 26.8148 174.7861 100 V 3.5388 7.9227 117.3026 63.3595 32.7384 174.3145 101 D 4.9281 8.7294 126.8569 53.6365 40.6466 176.4040 102 K 4.9627 8.9365 126.0385 57.6008 32.8698 178.2624 103 R 3.9397 7.8215 118.2525 58.1360 30.0107 176.5024 104 Y 4.8941 7.6760 112.1842 57.4386 40.5626 174.9678 105 H 4.8235 7.7446 116.3452 54.1676 32.8954 172.4147 106 E 4.3405 8.6801 123.2411 54.7018 29.2600 174.9540 107 P 4.5338 0.0000 0.0000 62.4394 31.9761 176.2883 108 R 4.4796 8.6897 121.1936 55.2789 32.7105 176.8548 109 G 3.9858 8.6781 108.0359 44.5629 0.0000 173.1327 110 A 4.4166 8.1343 121.1951 51.3471 19.0415 178.7465 111 W 3.7499 9.1922 117.5735 58.5935 28.0189 177.1979 112 N 4.4304 6.8803 114.9690 51.9026 37.0783 174.9286 113 S 4.4348 7.5554 114.1267 57.5591 66.0093 174.0611 114 E 3.4442 7.3350 122.5753 59.3431 29.3049 178.3566 115 E 3.8469 7.9971 118.7369 59.6360 29.4824 178.3085 116 H 4.2485 8.2117 118.0110 59.4799 30.0546 177.2146 117 I 3.5924 7.6366 121.5553 64.3481 36.7791 177.9902 118 D 4.2723 8.3931 119.0970 57.3958 41.1960 177.8821 119 Q 3.9329 8.1186 119.8093 59.3211 29.0593 178.2601 120 A 4.1321 8.1168 121.6588 55.6312 18.3537 179.7081 121 T 4.0227 8.0430 114.2549 66.2360 68.5636 177.5090 122 G 3.5187 8.1273 108.0691 47.7359 0.0000 175.8838 123 I 3.6430 7.8951 122.1223 63.8876 37.0260 178.0315 124 L 4.3033 8.1789 121.2851 58.4710 41.8370 179.0521 125 V 3.3050 7.8701 118.0217 66.0775 31.2663 177.4119 126 N 4.1610 8.1354 115.9837 56.6859 38.3399 177.3754 127 F 4.2940 8.0810 118.7079 60.4858 38.8716 177.8692 128 I 3.7464 8.1411 119.8404 64.5030 36.7647 178.3297 129 Q 4.0122 8.1829 118.9170 59.0015 28.5539 179.1177 130 L 3.9661 8.1299 119.9414 57.9527 41.7062 179.7212 131 I 3.7649 8.1288 119.9690 64.4239 37.1388 178.3078 132 Q 4.0500 8.3761 119.1365 59.1647 28.3040 179.4455 133 K 4.0585 7.5819 118.5593 59.1419 32.2257 179.0962 134 K 3.7700 7.7965 119.0757 57.7649 33.6867 177.0387 135 F 4.6064 7.5596 117.0443 54.9036 38.6100 173.9897 136 P 4.5889 0.0000 0.0000 64.2215 31.8845 178.4120 137 S 4.5081 7.9716 112.2596 59.1006 63.7783 174.5385 138 W 4.5603 7.9287 121.0191 56.2295 29.4801 176.4349 139 S 4.4984 8.6914 116.2192 58.4152 64.4737 175.6109 140 T 4.2524 8.3315 119.8122 66.2489 68.1490 176.7783 141 E 4.0357 8.1841 120.0630 59.6105 29.5460 179.2281 142 Q 4.0525 8.1936 117.9958 59.1207 28.2065 178.9425 143 Q 4.3999 8.6949 119.2939 58.8688 28.7605 178.4673 144 L 4.0583 8.4365 121.7349 58.0457 42.1728 178.8599 145 K 4.0734 8.3974 119.5896 59.6666 32.1051 178.6171 146 G 4.0689 8.6942 105.8235 48.2135 0.0000 175.3774 147 A 4.1322 8.5110 123.1710 54.8408 18.5603 179.7650 148 I 3.7592 8.0913 118.1698 64.5310 37.1608 178.3717 149 A 4.1828 8.2159 121.3051 55.3628 18.2591 179.5621 150 A 3.7546 8.2330 119.2662 55.2431 18.0828 179.1379 151 Y 3.4161 7.4485 117.4247 60.3400 38.7988 177.5733 152 N 3.9863 6.9467 115.8131 55.6235 39.2518 175.9904 153 T 4.2802 7.7829 110.4452 60.3276 69.2653 174.4453 154 G 3.9610 7.7072 107.7661 46.3744 0.0000 174.5787 155 D 4.4426 8.7650 120.7252 55.7525 39.7889 178.8111 156 G 3.6607 8.1210 107.8211 47.7588 0.0000 174.0910 157 R 4.3408 7.7321 116.8413 55.7042 30.3107 176.0508 158 V 4.3235 7.6663 119.0345 61.5194 31.9316 174.7743 159 E 4.8185 8.7112 126.6292 56.7941 31.4658 175.8794 160 S 4.7740 7.5848 110.7177 57.4884 65.9778 174.3818 161 Y 3.6618 8.6385 121.3603 60.6459 38.5303 177.5172 162 E 3.8111 8.2360 117.5322 58.5610 29.8546 177.8858 163 S 4.7167 7.7278 112.5496 57.6496 63.3694 176.1775 164 V 3.6529 7.3586 123.1415 65.3439 30.8835 176.6478 165 D 4.7608 7.8373 117.5647 53.8439 41.2601 178.1234 166 S 4.1092 8.0998 114.7483 60.4709 63.0446 175.3300 167 R 4.5069 7.9054 117.8731 55.9029 30.6593 175.6258 168 T 4.3579 7.8218 110.0172 60.1708 70.6909 174.3293 169 T 3.9827 8.1726 118.9413 65.1994 68.7132 175.8972 170 G 3.9979 8.8322 113.1289 45.4131 0.0000 173.3058 171 K 4.1545 8.1292 117.5602 56.9774 30.4989 176.2294 172 D 4.7740 7.7539 112.4826 53.4535 41.0722 176.4393 173 Y 4.0343 8.4617 122.8216 61.4508 38.7146 178.2838 174 S 4.1937 8.7977 115.3064 61.3885 63.2942 175.9825 175 N 4.2529 8.8679 120.5558 56.0603 38.2593 176.8331 176 D 4.2891 8.4505 120.8358 56.8384 41.3555 178.3073 177 V 3.4374 7.7754 119.0715 65.9691 31.4648 177.9659 178 V 3.5992 7.9777 117.8062 66.0964 31.4383 177.9128 179 A 4.0769 7.9456 120.0428 55.1613 18.1825 179.8087 180 R 3.8238 8.4481 116.8420 59.3340 30.0676 178.9957 181 A 4.3678 8.5008 120.9639 55.6216 18.1482 179.7878 182 Q 3.9802 8.1443 115.3968 58.5254 28.9249 178.4903 183 W 3.8768 7.9949 129.2780 60.6934 30.8403 177.6407 184 Y 4.4150 8.3764 117.1113 61.0289 37.0407 178.4886 185 K 4.1092 8.2782 120.0610 59.4682 32.4030 178.2462 186 K 4.1988 7.4757 115.3300 56.6820 33.5877 176.8431 187 N 4.6719 7.9356 116.2438 50.5120 38.5908 174.5318 188 G 3.8329 8.3827 106.8005 44.7514 0.0000 171.7397 189 F 4.2750 7.9308 122.1719 57.5317 39.4109 175.1504 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 3 V 7.90 4.02 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 0.76 0.00 0.00 0.93 0.00 0.00 4 G 8.54 4.67 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 0.00 0.00 0.00 5 Y 9.20 4.50 0.00 3.11 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.46 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 7 D 6.05 4.66 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 8 I 8.34 3.77 1.94 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 1.53 1.11 1.00 0.00 0.00 9 T 8.33 4.08 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 10 Q 7.96 4.54 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 11 V 7.33 3.98 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 0.83 0.00 0.00 1.10 0.00 0.00 12 E 8.60 4.41 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 13 T 8.09 4.61 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 1.25 0.00 0.00 14 S 8.76 4.52 0.00 4.01 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 0.00 15 G 8.16 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 16 A 8.07 4.36 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 17 S 8.95 4.75 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.14 0.00 3.87 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 19 K 7.90 3.83 0.00 1.73 1.83 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.49 7.81 20 T 7.70 3.98 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 1.32 0.00 0.00 21 S 8.21 3.98 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.99 4.01 0.00 2.05 1.99 0.00 3.10 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 23 Q 7.92 4.01 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 24 D 7.86 4.60 0.00 2.71 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 25 K 7.71 4.02 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 26 L 7.01 3.98 0.00 1.48 0.95 0.81 0.54 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 27 E 8.47 4.52 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 28 Y 6.78 4.98 0.00 3.00 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 29 D 8.14 4.94 0.00 3.03 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.57 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.38 3.51 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 0.97 0.00 0.00 0.93 0.00 0.00 32 R 8.05 3.89 0.00 2.00 1.91 0.00 2.88 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 33 A 7.85 4.00 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 34 S 8.15 4.09 0.00 4.03 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 35 H 8.50 4.04 0.00 3.31 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.94 3.70 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 1.18 0.00 0.00 37 M 7.88 4.04 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 38 A 7.78 3.98 0.57 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 0.00 0.00 39 Q 6.94 2.75 0.00 1.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 40 T 7.61 3.82 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 1.18 0.00 0.00 41 D 7.92 4.71 0.00 2.81 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 42 A 7.66 4.50 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 0.00 0.00 0.00 0.00 0.00 43 G 8.11 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 44 R 8.01 3.97 0.00 2.09 2.26 0.00 3.24 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 45 M 8.27 4.24 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.85 0.00 46 E 8.03 4.02 0.00 2.08 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 2.39 2.68 0.00 47 K 7.35 3.62 0.00 1.32 0.83 0.00 1.55 0.00 0.00 1.27 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.73 1.12 7.81 48 Y 7.33 4.44 0.00 3.10 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 49 K 7.81 4.08 0.00 1.94 1.73 0.00 1.22 0.00 0.00 1.35 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 0.77 7.81 50 S 7.85 4.13 0.00 3.77 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 51 F 8.03 4.54 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.34 3.81 2.25 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 1.59 0.81 1.07 0.00 0.00 53 N 8.48 4.46 0.00 2.79 2.90 0.00 0.00 7.05 6.45 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 54 N 8.32 4.34 0.00 3.09 2.99 0.00 0.00 6.68 6.96 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 55 V 8.17 3.65 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 1.11 0.00 0.00 1.05 0.00 0.00 56 A 8.53 4.14 1.55 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 57 K 8.36 3.98 0.00 2.01 2.12 0.00 1.34 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.53 7.81 58 K 7.98 3.96 0.00 1.78 2.11 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.16 1.39 7.81 59 H 8.23 4.66 0.00 3.26 3.41 0.00 5.86 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 60 V 7.55 3.35 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 0.83 0.00 0.00 0.95 0.00 0.00 61 V 7.64 4.79 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 0.88 0.00 0.00 1.10 0.00 0.00 62 D 8.68 4.53 0.00 2.79 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 63 P 0.00 4.38 0.00 2.55 2.53 0.00 3.83 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 2.19 2.13 0.00 64 A 8.84 4.03 1.61 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 0.00 0.00 65 V 7.89 3.60 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.25 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 97 L 8.15 4.06 0.00 1.62 1.72 0.03 1.15 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 98 M 8.37 4.53 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 99 Q 8.06 3.57 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 100 V 7.92 3.54 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.12 0.00 0.00 101 D 8.73 4.93 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.94 4.96 0.00 1.87 1.98 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.73 1.41 7.81 103 R 7.82 3.94 0.00 1.07 1.29 0.00 3.02 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 104 Y 7.68 4.89 0.00 2.93 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 0.00 105 H 7.74 4.82 0.00 3.20 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.68 4.34 0.00 1.94 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 2.27 2.32 0.00 107 P 0.00 4.53 0.00 1.31 1.20 0.00 3.51 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 108 R 8.69 4.48 0.00 1.78 1.92 0.00 3.42 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 109 G 8.68 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.13 4.42 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 0.00 111 W 9.19 3.75 0.00 3.04 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 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1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.04 4.02 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 1.15 0.00 0.00 122 G 8.13 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.90 3.64 2.16 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.94 0.00 0.00 124 L 8.18 4.30 0.00 1.68 1.83 0.97 0.56 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 0.00 125 V 7.87 3.31 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 1.02 0.00 0.00 0.93 0.00 0.00 126 N 8.14 4.16 0.00 2.60 2.53 0.00 0.00 7.06 7.75 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 0.00 127 F 8.08 4.29 0.00 3.35 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 0.00 128 I 8.14 3.75 1.75 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.82 0.00 0.00 129 Q 8.18 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 130 L 8.13 3.97 0.00 1.90 1.73 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.13 3.76 2.05 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 1.82 1.24 1.08 0.00 0.00 132 Q 8.38 4.05 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 133 K 7.58 4.06 0.00 1.75 1.78 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.55 7.81 134 K 7.80 3.77 0.00 1.52 1.10 0.00 1.48 0.00 0.00 1.20 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.99 7.81 135 F 7.56 4.61 0.00 1.87 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 0.00 136 P 0.00 4.59 0.00 2.18 2.15 0.00 3.27 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 137 S 7.97 4.51 0.00 4.11 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 0.00 138 W 7.93 4.56 0.00 3.43 3.08 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 0.00 139 S 8.69 4.50 0.00 4.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.33 4.25 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 141 E 8.18 4.04 0.00 2.06 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 2.56 2.65 0.00 142 Q 8.19 4.05 0.00 2.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 143 Q 8.69 4.40 0.00 2.44 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.87 0.00 144 L 8.44 4.06 0.00 2.11 1.95 0.99 0.91 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 0.00 145 K 8.40 4.07 0.00 2.01 2.10 0.00 1.86 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.52 7.81 146 G 8.69 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 0.00 0.00 0.00 147 A 8.51 4.13 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.09 3.76 2.11 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 1.49 1.00 1.07 0.00 0.00 149 A 8.22 4.18 1.48 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 0.00 0.00 0.00 150 A 8.23 3.75 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 0.00 151 Y 7.45 3.42 0.00 3.01 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 0.00 152 N 6.95 3.99 0.00 1.44 2.15 0.00 0.00 6.97 7.58 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 0.00 153 T 7.78 4.28 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 1.15 0.00 0.00 154 G 7.71 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 0.00 155 D 8.77 4.44 0.00 2.89 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 0.00 156 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 157 R 7.73 4.34 0.00 1.97 1.94 0.00 3.10 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 158 V 7.67 4.32 2.36 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 0.98 0.00 0.00 1.01 0.00 0.00 159 E 8.71 4.82 0.00 2.06 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 2.29 2.34 0.00 160 S 7.58 4.77 0.00 4.05 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 0.00 161 Y 8.64 3.66 0.00 1.43 2.53 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 0.00 162 E 8.24 3.81 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 163 S 7.73 4.72 0.00 3.91 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.36 3.65 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 0.50 0.00 0.00 1.01 0.00 0.00 165 D 7.84 4.76 0.00 2.69 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 0.00 166 S 8.10 4.11 0.00 3.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.91 4.51 0.00 1.94 1.94 0.00 3.36 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 168 T 7.82 4.36 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 1.21 0.00 0.00 169 T 8.17 3.98 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 170 G 8.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.13 4.15 0.00 1.90 1.88 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.35 7.81 172 D 7.75 4.77 0.00 3.02 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 0.00 173 Y 8.46 4.03 0.00 3.15 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 0.00 174 S 8.80 4.19 0.00 4.23 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.87 4.25 0.00 2.84 3.09 0.00 0.00 6.64 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.45 4.29 0.00 2.73 2.66 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 0.00 0.00 0.00 177 V 7.78 3.44 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 0.90 0.00 0.00 0.35 0.00 0.00 178 V 7.98 3.60 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 0.99 0.00 0.00 0.98 0.00 0.00 179 A 7.95 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 8.45 3.82 0.00 2.02 2.03 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 181 A 8.50 4.37 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 8.14 3.98 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 183 W 7.99 3.88 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Y 8.38 4.41 0.00 3.19 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 0.00 185 K 8.28 4.11 0.00 1.94 2.06 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.56 7.81 186 K 7.48 4.20 0.00 1.32 1.62 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.36 1.54 7.81 187 N 7.94 4.67 0.00 1.67 2.29 0.00 0.00 7.19 7.50 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 0.00 188 G 8.38 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 0.00 189 F 7.93 4.28 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 * Residues marked with a * may have inaccurate shift predictions.