NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3048 8.4449 121.4763 55.9082 30.8103 175.2681 7 Q 4.1451 8.5299 125.3327 54.1058 29.6612 173.6477 8 P 4.3340 0.0000 0.0000 63.0859 32.7778 176.4545 9 K 4.2355 8.0156 120.3996 57.3844 32.7687 176.3851 10 G 4.7765 7.4743 104.8995 43.6707 0.0000 171.1480 11 I 4.4895 8.5193 120.9767 59.9430 39.0881 174.8542 12 N 5.7986 9.2570 123.9123 51.5621 41.8256 173.4203 13 I 5.0922 9.2660 124.1635 59.4238 41.0546 174.0672 14 L 4.7750 8.4472 128.0422 53.2335 44.3906 174.8574 15 I 4.7961 8.8688 127.5026 60.0372 39.4066 174.6796 16 T 5.6262 9.2200 121.4147 59.0049 71.3938 171.5830 17 G 4.4863 8.8764 107.8502 42.9075 0.0000 173.0747 18 T 3.8311 8.1819 117.9120 62.8449 69.0191 172.1384 19 P 4.3722 0.0000 0.0000 64.7961 31.6377 176.8637 20 G 3.9413 8.9739 111.2781 45.3893 0.0000 174.2935 21 T 4.5231 6.9685 108.5654 62.1141 69.1946 175.2979 22 G 4.2402 8.4698 112.1079 45.7984 0.0000 175.8788 23 K 3.9230 8.5344 120.9029 59.6962 31.9884 179.2462 24 T 4.3148 7.7749 116.6750 66.1693 68.4612 176.7987 25 S 4.0942 8.0194 116.6174 61.8872 62.8659 176.3573 26 M 3.9862 8.3328 120.8189 58.5414 31.8988 178.0946 27 A 3.9065 8.3548 121.4087 55.2004 18.4730 179.5188 28 E 3.8389 8.4565 117.5235 59.4550 29.4605 179.1226 29 M 3.9757 8.1041 118.3952 58.6351 32.1923 178.3255 30 I 3.5162 7.8931 119.7760 64.4220 37.0717 178.3471 31 A 4.0491 8.0321 120.1356 55.0332 18.2118 179.2089 32 A 4.1187 8.0966 118.8113 54.6306 18.6197 178.7663 33 E 4.3576 8.1607 115.3959 56.6870 30.8643 176.8168 34 L 4.4736 7.3439 117.5915 53.3550 43.1241 175.5042 35 D 4.5304 8.6818 120.5247 54.7953 41.7980 176.2745 36 G 3.7896 8.8870 114.5663 46.4475 0.0000 171.7946 37 F 4.8589 8.2973 117.6168 55.6012 40.7321 175.0025 38 Q 4.6564 8.8644 125.0519 54.6541 31.1570 173.5402 39 H 5.2910 8.9249 126.4246 55.3683 31.3485 174.0036 40 L 4.4752 8.9334 126.2748 53.1046 44.0101 175.7828 41 E 4.5166 8.4775 126.6841 54.6048 28.6947 176.6118 42 V 3.7095 8.6514 126.8957 65.6047 31.5781 177.6661 43 G 3.8516 8.3768 105.1395 47.9028 0.0000 175.6334 44 K 4.0594 8.0574 120.1744 59.1636 32.0391 179.4485 45 L 3.8360 7.7709 118.8689 57.6466 41.6262 179.4921 46 V 3.7600 8.1298 118.4863 65.8635 31.3727 177.9468 47 K 4.0291 8.0773 119.2083 59.8219 31.9079 178.6871 48 E 3.9579 8.3170 117.6782 58.5163 29.3677 178.1344 49 N 4.3483 7.3159 113.3625 51.5046 39.3055 174.0053 50 H 3.4551 7.5391 118.9669 57.0818 29.3114 175.2316 51 F 4.9380 7.7334 114.1524 55.9029 37.9847 174.6823 52 Y 5.0169 6.7731 116.6312 56.7904 40.9387 175.2064 53 T 4.3185 9.5645 118.7559 65.5418 69.5898 176.6373 54 E 4.7989 7.9446 119.6721 56.1437 30.2419 177.0768 *61 T 2.4800 7.8317 104.4931 60.8279 69.8388 174.2722 62 H 4.1547 7.0851 121.5618 57.6851 30.5754 174.5034 63 I 4.0897 8.4114 110.8177 60.1725 38.6176 175.2274 64 I 4.8100 8.3967 126.3840 59.6569 38.6592 175.8296 65 E 4.5536 9.4562 125.9638 54.4222 32.6676 176.6008 66 E 3.9254 8.6215 119.7062 59.7376 29.5035 178.8534 67 K 4.0463 8.0228 118.1370 59.9713 32.6859 178.7921 68 D 4.3947 8.0434 119.6625 57.1951 40.7940 178.2120 69 E 3.9236 8.1661 119.0878 59.5235 29.4642 179.0880 70 D 4.3208 8.0237 118.7353 57.5968 40.9148 179.2343 71 R 3.8330 7.8975 118.3707 58.8940 29.9643 178.7968 72 L 2.7292 7.1463 119.9985 57.8660 41.9765 179.0946 73 L 4.3645 8.0482 118.9524 58.0891 41.3229 179.3002 74 D 4.4194 8.1069 118.0071 57.2148 40.7863 178.3097 75 F 4.2199 8.0684 120.4787 61.6830 39.7437 176.8925 76 M 4.1706 8.6204 118.3931 57.7301 31.6734 177.9674 77 E 3.8761 8.5094 120.3816 59.1208 29.5289 177.3547 78 P 4.1758 0.0000 0.0000 65.8425 31.5147 178.0407 79 I 3.6388 7.3196 118.9839 64.4790 36.8932 178.1915 80 M 3.5340 7.4082 117.9775 57.1951 31.4033 178.1585 81 V 4.0965 7.1026 110.6625 60.1196 32.1387 176.1148 82 S 4.5835 6.9255 114.2715 57.1254 63.8198 174.2784 83 R 3.8440 8.0774 117.7341 57.2845 29.8787 176.4413 84 G 3.7071 8.6974 105.1470 44.9257 0.0000 171.4986 85 N 4.9593 7.9496 115.1619 51.5893 41.1456 174.3260 86 H 5.4735 8.8832 118.2365 53.9717 33.2585 172.8752 87 V 4.8990 9.3112 122.7227 60.2134 33.5515 174.5939 88 V 4.6705 9.2057 126.5923 61.3820 33.7483 174.2193 89 D 5.3936 8.8151 126.2335 53.1767 44.0127 173.5356 90 Y 5.3732 8.7482 126.0461 57.0092 42.2530 175.1629 91 H 4.5561 8.2774 119.5115 56.7012 29.2336 175.2849 92 S 4.8250 6.5975 115.0654 56.7769 65.8141 173.5610 93 S 4.8513 9.3731 113.1911 58.7818 65.7663 176.1373 94 E 4.0117 8.6916 121.3111 58.7260 29.5217 177.7312 95 L 3.9734 7.5574 117.9321 57.8725 40.7730 177.3000 96 F 4.5562 7.2885 117.4780 55.5648 40.1021 173.6588 97 P 4.2369 0.0000 0.0000 62.3094 31.9548 177.4094 98 E 4.2386 8.7140 120.8618 59.4134 29.7348 179.0321 99 R 3.9693 8.1024 118.0587 59.2540 30.1237 177.4740 100 W 4.3128 8.0680 116.9709 58.4550 29.1791 176.4044 101 F 5.2009 7.8697 115.8075 56.1658 40.3869 175.0372 102 H 4.9518 9.0140 121.0812 56.6108 30.0434 174.8343 103 M 4.9548 7.8765 117.4067 54.2198 36.0074 173.2681 104 V 4.4781 8.8794 125.2825 61.0069 34.8611 174.0017 105 V 4.7631 8.9507 128.4003 61.1478 33.7763 174.1481 106 V 4.6994 8.9633 128.5198 61.2344 33.4136 174.2008 107 L 5.0065 8.4958 128.2711 53.8539 43.0871 175.7700 108 H 5.2848 8.9639 119.4711 54.5298 32.8711 173.0670 109 T 5.1214 8.7861 116.1020 61.8610 73.0614 174.2360 110 S 4.4187 9.7005 122.2035 58.8659 63.8206 175.5774 111 T 3.8345 8.5801 117.2597 65.4463 66.9694 176.3389 112 E 3.9557 8.1385 120.0054 59.4747 29.5330 179.4483 113 V 3.6177 7.7087 117.7164 65.7852 31.6552 177.6659 114 L 3.8966 8.1851 120.3427 58.1145 42.0034 178.5063 115 F 3.9419 8.5330 120.9210 61.5006 39.1593 177.0135 116 E 4.0106 8.1507 118.1567 59.4226 29.1939 179.4569 117 R 3.9045 7.9745 118.1115 59.4184 30.1794 179.2179 118 L 3.7316 7.9756 118.6686 57.6045 41.3438 179.8783 119 T 3.7547 7.4930 115.8581 66.6172 68.2548 177.1014 120 K 4.0099 8.0504 119.2176 59.2594 32.1244 178.7879 121 R 4.2894 8.0932 115.6167 55.7237 30.1526 176.3344 122 Q 3.6785 8.2382 116.8815 57.0649 26.6263 173.6767 123 Y 4.1128 8.1411 114.8860 57.5478 38.6291 177.1836 124 S 4.3643 8.4259 117.5850 58.4059 65.1720 175.2854 125 E 3.9313 8.7419 122.1021 59.4717 29.1331 179.5929 126 A 4.0057 7.9183 120.3522 55.2227 18.5519 179.7401 127 K 3.9649 8.1075 117.1056 59.3191 32.0096 179.5667 128 R 3.6682 8.3999 119.2497 59.4263 30.0159 178.4472 129 A 4.0291 8.1132 120.4419 55.1936 18.3713 179.3221 130 E 3.9223 8.4108 117.2371 59.8312 29.5530 179.4951 131 N 4.3360 8.3502 116.4593 56.3976 38.5533 177.4352 132 M 4.0620 8.2730 120.4358 58.3792 32.0148 178.4421 133 E 3.9283 8.4153 119.2649 59.1664 29.8218 178.6431 134 A 3.9720 8.1422 120.9245 55.0671 18.3767 179.3064 135 E 3.8765 8.2254 117.8513 59.5542 29.5524 179.0757 136 I 3.7455 7.5833 118.6979 64.1902 37.2552 177.5839 137 Q 4.2472 8.1626 116.0340 55.2828 29.2523 175.3708 138 C 4.2053 8.1504 117.4718 60.5004 26.9136 175.8362 139 I 3.6898 7.8159 121.0533 64.9287 36.8130 177.7127 140 C 4.1548 7.9740 116.9397 62.6375 27.9415 175.6511 141 E 3.9258 8.0867 120.4370 59.4029 29.3858 178.5300 142 E 3.9681 8.3935 118.7567 59.2439 29.2529 178.9570 143 E 3.9032 8.1619 118.2447 59.2922 30.0424 178.4483 144 A 4.4746 8.0641 122.0719 54.9336 18.2703 179.9055 145 R 4.0518 8.2089 115.5838 59.2270 30.1693 178.6431 146 D 4.4879 8.1964 117.7998 56.2103 40.9417 177.5197 147 A 4.3696 7.6268 118.9580 51.5237 19.9693 175.9370 148 Y 4.9290 7.1323 112.7803 55.6488 42.2948 174.8708 149 E 4.2376 8.6933 120.8115 56.3125 30.4986 178.2382 150 D 4.4668 8.8903 122.9841 57.6545 41.1053 178.4870 151 D 4.5081 8.1625 117.4550 56.3089 41.0881 176.5850 152 I 4.3356 7.9939 111.8832 60.6288 39.0548 175.1155 153 V 4.5712 7.6530 124.0712 61.6857 32.6543 174.6000 154 L 4.7480 9.0671 130.5308 53.1990 44.4935 174.8963 155 V 4.9016 8.4510 125.7071 61.2533 34.0645 174.8407 156 R 4.7159 8.9429 125.7337 54.2205 34.5365 174.1739 157 E 4.4092 8.9228 124.9672 55.8053 30.2867 176.2979 158 N 5.0055 8.6588 124.6392 52.7423 37.1802 173.8220 159 D 4.5796 9.4374 121.2633 56.0389 42.4108 178.0022 160 T 4.7326 7.5589 107.7463 59.0658 73.1006 174.5408 161 L 3.9612 8.2859 122.5344 58.0614 42.1437 178.5052 162 E 3.9090 8.1607 118.9777 59.3638 29.5265 178.6847 163 Q 3.9666 8.0966 117.9674 59.1159 28.7723 178.3143 164 M 4.0264 8.1215 118.9109 58.7969 32.2631 178.1489 165 A 3.9507 8.3445 120.8615 55.1067 18.4899 179.4977 166 A 3.9655 8.1024 119.3376 55.4664 18.3475 180.0129 167 T 3.7736 8.1293 114.4980 66.8506 68.4686 177.0519 168 V 3.5528 7.9429 120.1372 65.8934 31.4380 177.9776 169 E 3.9290 8.2271 118.5168 59.2704 29.3358 178.8165 170 E 3.9214 8.3394 119.4370 59.2868 29.6978 178.8966 171 I 3.6629 8.0615 120.1931 64.3597 37.2039 178.1765 172 R 3.8820 8.2208 119.8142 59.6210 29.7095 178.3498 173 E 3.9847 8.3112 118.1427 59.6059 29.4771 179.6422 174 R 3.9666 8.1158 118.0815 59.1335 30.0481 179.3358 175 V 3.6532 8.3822 118.6040 65.9421 31.3305 177.6790 176 E 3.9353 8.0835 118.1180 59.1160 29.5041 178.6758 177 V 3.7391 7.3646 117.2823 66.1493 31.7405 177.5660 178 L 4.1356 7.6606 117.1538 57.7789 41.5591 178.0130 179 K 4.2885 8.5195 121.9819 56.6514 32.1823 176.7533 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 6 E 8.44 4.30 0.00 1.96 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 2.19 2.34 0.00 7 Q 8.53 4.15 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 8 P 0.00 4.33 0.00 2.11 2.11 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 9 K 8.02 4.24 0.00 1.68 1.82 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 10 G 7.47 4.78 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 11 I 8.52 4.49 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.24 1.07 0.00 0.00 12 N 9.26 5.80 0.00 2.82 2.78 0.00 0.00 6.91 7.24 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 13 I 9.27 5.09 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.08 0.88 0.00 0.00 14 L 8.45 4.77 0.00 0.27 0.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.87 4.80 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 0.89 0.00 0.00 16 T 9.22 5.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 17 G 8.88 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 3.83 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 1.18 0.00 0.00 19 P 0.00 4.37 0.00 1.93 2.12 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 G 8.97 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 21 T 6.97 4.52 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 1.28 0.00 0.00 22 G 8.47 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.53 3.92 0.00 1.91 1.99 0.00 1.96 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.55 7.81 24 T 7.77 4.31 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 25 S 8.02 4.09 0.00 3.99 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 26 M 8.33 3.99 0.00 2.04 2.02 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 2.55 2.49 0.00 27 A 8.35 3.91 1.27 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 28 E 8.46 3.84 0.00 1.93 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 2.36 2.43 0.00 29 M 8.10 3.98 0.00 2.18 2.03 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 2.65 0.00 30 I 7.89 3.52 1.85 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 1.23 0.50 0.31 0.00 0.00 31 A 8.03 4.05 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 32 A 8.10 4.12 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 33 E 8.16 4.36 0.00 2.01 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 2.25 2.43 0.00 34 L 7.34 4.47 0.00 1.65 1.67 0.61 1.26 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 35 D 8.68 4.53 0.00 2.66 2.64 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 36 G 8.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.30 4.86 0.00 2.93 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 38 Q 8.86 4.66 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 39 H 8.92 5.29 0.00 3.20 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.93 4.48 0.00 1.66 1.57 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.48 4.52 0.00 1.83 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 2.40 2.53 0.00 42 V 8.65 3.71 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 0.29 0.00 0.00 0.95 0.00 0.00 43 G 8.38 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.06 4.06 0.00 2.03 2.05 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.47 1.51 7.81 45 L 7.77 3.84 0.00 1.86 1.63 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.13 3.76 2.35 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 1.26 0.00 0.00 1.13 0.00 0.00 47 K 8.08 4.03 0.00 1.89 1.95 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 48 E 8.32 3.96 0.00 1.83 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 2.30 2.35 0.00 49 N 7.32 4.35 0.00 1.44 1.42 0.00 0.00 7.06 8.31 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 50 H 7.54 3.46 0.00 2.96 3.03 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.73 4.94 0.00 3.14 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 6.77 5.02 0.00 3.19 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 53 T 9.56 4.32 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 54 E 7.94 4.80 0.00 2.06 1.93 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 2.34 2.32 0.00 *61 T 7.83 2.48 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 0.92 0.00 0.00 62 H 7.09 4.15 0.00 3.07 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.41 4.09 1.94 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 1.36 1.00 0.96 0.00 0.00 64 I 8.40 4.81 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.94 1.00 0.00 0.00 65 E 9.46 4.55 0.00 2.09 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 2.29 2.34 0.00 66 E 8.62 3.93 0.00 2.03 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 2.37 2.37 0.00 67 K 8.02 4.05 0.00 2.03 2.06 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.56 7.81 68 D 8.04 4.39 0.00 2.93 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 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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 2.41 2.43 0.00 78 P 0.00 4.18 0.00 2.12 2.07 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 79 I 7.32 3.64 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 0.69 0.00 0.00 80 M 7.41 3.53 0.00 0.63 0.66 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.80 0.00 81 V 7.10 4.10 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 0.99 0.00 0.00 1.00 0.00 0.00 82 S 6.93 4.58 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.08 3.84 0.00 1.89 1.94 0.00 2.96 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 84 G 8.70 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 85 N 7.95 4.96 0.00 1.44 1.42 0.00 0.00 7.21 8.32 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 86 H 8.88 5.47 0.00 3.21 3.13 0.00 5.75 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 87 V 9.31 4.90 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 0.91 0.00 0.00 0.93 0.00 0.00 88 V 9.21 4.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.05 0.00 0.00 89 D 8.82 5.39 0.00 2.95 2.83 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 90 Y 8.75 5.37 0.00 3.19 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 91 H 8.28 4.56 0.00 3.16 3.32 0.00 5.14 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 6.60 4.82 0.00 3.51 3.77 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 93 S 9.37 4.85 0.00 4.26 4.16 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 94 E 8.69 4.01 0.00 1.92 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 2.22 2.22 0.00 95 L 7.56 3.97 0.00 1.62 1.62 0.78 -0.19 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 96 F 7.29 4.56 0.00 3.48 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 97 P 0.00 4.24 0.00 1.79 1.80 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.98 0.00 98 E 8.71 4.24 0.00 2.03 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 2.18 2.07 0.00 99 R 8.10 3.97 0.00 1.75 1.92 0.00 3.50 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 100 W 8.07 4.31 0.00 2.83 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.87 5.20 0.00 3.16 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.01 4.95 0.00 3.12 3.45 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 0.00 111 T 8.58 3.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 112 E 8.14 3.96 0.00 2.05 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 2.36 2.33 0.00 113 V 7.71 3.62 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 1.04 0.00 0.00 0.94 0.00 0.00 114 L 8.19 3.90 0.00 1.87 1.81 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.53 3.94 0.00 3.26 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 0.00 116 E 8.15 4.01 0.00 2.19 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 2.44 2.62 0.00 117 R 7.97 3.90 0.00 1.98 1.95 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 118 L 7.98 3.73 0.00 1.32 1.24 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.49 3.75 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 1.16 0.00 0.00 120 K 8.05 4.01 0.00 1.71 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.61 7.81 121 R 8.09 4.29 0.00 2.12 2.13 0.00 3.49 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 122 Q 8.24 3.68 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 123 Y 8.14 4.11 0.00 2.80 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 0.00 124 S 8.43 4.36 0.00 4.05 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 0.00 125 E 8.74 3.93 0.00 2.09 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 2.43 2.45 0.00 126 A 7.92 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.11 3.96 0.00 1.92 2.04 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.64 7.81 128 R 8.40 3.67 0.00 1.74 2.01 0.00 2.21 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.00 129 A 8.11 4.03 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 0.00 130 E 8.41 3.92 0.00 2.20 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 2.46 0.00 131 N 8.35 4.34 0.00 2.70 2.72 0.00 0.00 7.06 7.20 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 0.00 132 M 8.27 4.06 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.97 0.00 133 E 8.42 3.93 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 134 A 8.14 3.97 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 0.00 135 E 8.23 3.88 0.00 2.10 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 2.32 2.41 0.00 136 I 7.58 3.75 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.90 0.00 0.00 137 Q 8.16 4.25 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 138 C 8.15 4.21 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.82 3.69 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 0.90 0.00 0.00 140 C 7.97 4.15 0.00 2.93 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 0.00 141 E 8.09 3.93 0.00 2.07 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 2.41 2.43 0.00 142 E 8.39 3.97 0.00 2.18 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 2.34 2.47 0.00 143 E 8.16 3.90 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 144 A 8.06 4.47 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 0.00 145 R 8.21 4.05 0.00 1.82 2.04 0.00 3.19 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 146 D 8.20 4.49 0.00 2.88 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 0.00 147 A 7.63 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.13 4.93 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.69 4.24 0.00 2.12 1.93 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 2.44 2.56 0.00 150 D 8.89 4.47 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.16 4.51 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.99 4.34 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.11 0.99 0.00 0.00 153 V 7.65 4.57 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 0.74 0.00 0.00 1.03 0.00 0.00 154 L 9.07 4.75 0.00 1.72 1.45 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.45 4.90 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 0.95 0.00 0.00 0.94 0.00 0.00 156 R 8.94 4.72 0.00 1.68 1.73 0.00 3.34 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 157 E 8.92 4.41 0.00 1.97 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 2.29 2.37 0.00 158 N 8.66 5.01 0.00 2.65 2.77 0.00 0.00 7.21 8.01 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 0.00 159 D 9.44 4.58 0.00 2.81 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 0.00 160 T 7.56 4.73 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 161 L 8.29 3.96 0.00 1.77 1.70 0.91 0.75 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 0.00 162 E 8.16 3.91 0.00 2.07 1.93 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 2.37 2.40 0.00 163 Q 8.10 3.97 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 164 M 8.12 4.03 0.00 2.19 2.05 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 2.57 2.54 0.00 165 A 8.34 3.95 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 0.00 166 A 8.10 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.13 3.77 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 1.18 0.00 0.00 168 V 7.94 3.55 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 1.11 0.00 0.00 0.90 0.00 0.00 169 E 8.23 3.93 0.00 2.24 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 2.31 2.52 0.00 170 E 8.34 3.92 0.00 2.06 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 2.30 2.39 0.00 171 I 8.06 3.66 1.96 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 1.36 0.44 0.79 0.00 0.00 172 R 8.22 3.88 0.00 1.92 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 173 E 8.31 3.98 0.00 2.23 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 2.33 2.49 0.00 174 R 8.12 3.97 0.00 2.01 2.00 0.00 3.13 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 175 V 8.38 3.65 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.08 0.00 0.00 176 E 8.08 3.94 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 177 V 7.36 3.74 2.29 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 0.91 0.00 0.00 1.00 0.00 0.00 178 L 7.66 4.14 0.00 1.87 1.73 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.52 4.29 0.00 1.92 1.72 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.23 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.