NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1625 8.1627 120.2753 54.7016 33.1329 173.9912 2 K 4.0323 8.4802 128.4606 56.1091 32.6209 175.1933 3 G 3.9874 8.8460 116.0885 44.9846 0.0000 171.8705 4 D 4.5669 8.4814 119.7115 54.3728 41.9754 177.1232 5 T 3.8725 8.8484 122.7905 66.8187 68.5682 176.6929 6 K 3.8716 8.1655 120.9541 58.9896 32.2330 178.8884 7 V 3.8976 8.3485 118.8886 66.1790 31.4228 177.8229 8 I 3.7431 7.7811 119.4570 64.6723 36.9948 178.0309 9 N 4.2325 8.1626 116.9406 56.5357 38.2658 176.9476 10 Y 4.1678 7.9546 117.9551 61.2322 37.9991 178.8008 11 L 3.9255 8.5367 120.1378 57.9866 41.6433 179.4542 12 N 4.3781 8.4769 116.6784 55.9505 38.4215 177.4757 13 K 3.8666 8.1145 121.1507 59.4053 32.3418 178.9647 14 L 3.7955 7.9788 119.5531 57.4483 41.3673 178.8822 15 L 3.9428 7.6520 120.8675 58.3403 42.0139 179.2133 16 G 3.6630 8.1726 105.4493 47.9461 0.0000 175.1743 17 N 4.3335 8.0961 118.7638 56.2306 38.5761 177.2783 18 E 4.1016 8.2601 119.7686 59.5191 29.2533 179.4620 19 L 4.0300 8.2641 119.2435 57.6413 41.6228 179.7670 20 V 3.5711 7.7681 117.6762 66.0536 31.4639 177.9257 21 A 3.8704 8.0748 120.4395 55.0605 18.1750 179.4046 22 I 3.7635 8.2334 118.7332 64.9430 37.2714 178.4097 23 N 4.3954 7.8745 116.6529 56.2698 38.2965 177.4696 24 Q 3.8061 8.2152 120.9658 59.4232 29.1190 177.6316 25 Y 4.3494 8.1034 118.0710 61.1252 37.9696 178.6709 26 F 3.8913 8.4634 121.5048 61.0497 39.5175 176.8464 27 L 3.9495 8.1680 119.9900 58.6042 41.8365 178.4648 28 H 3.7534 8.3013 115.9337 58.7893 28.5740 177.2645 29 A 4.1734 8.1998 122.6006 55.7032 18.1561 179.9238 30 R 3.8076 7.7060 115.4874 58.7760 30.1299 179.2493 31 M 3.3991 7.7800 119.1097 58.0847 31.7606 178.4857 32 F 4.5783 7.4520 117.9177 60.5576 39.1075 177.5430 33 K 3.8829 8.2978 119.3065 59.6274 31.7786 177.9520 34 N 4.2247 8.0467 116.1234 56.7666 38.9100 176.2596 35 W 4.7774 7.9392 117.1429 57.5965 29.4158 177.2529 36 G 3.9969 8.3506 108.3331 45.8541 0.0000 174.1365 37 L 4.6733 8.1644 122.3966 52.5462 38.2336 176.8027 38 K 3.7986 7.9055 123.8696 59.9109 32.6137 177.5259 39 R 3.9008 8.2463 118.8252 59.3886 29.9769 178.5003 40 L 4.1013 7.7710 118.4322 57.3888 41.6073 178.5291 41 N 4.5423 8.2053 117.1213 56.9833 38.9153 176.6271 42 D 4.3070 8.0611 120.0973 57.3700 40.9141 179.0759 43 V 3.2669 7.5231 118.1857 65.9646 31.4449 178.0163 44 E 3.9040 8.2773 118.3947 59.2786 29.3146 178.6691 45 Y 3.8840 8.2059 119.8173 60.9100 38.8454 177.5658 46 H 3.9125 8.1479 119.0145 59.3146 29.9036 176.8695 47 E 3.4018 8.1241 120.6352 59.1683 29.0516 179.2143 48 S 4.1096 7.7578 113.0100 61.6002 62.4380 176.3616 49 I 3.5384 7.3581 122.2462 64.2881 36.7768 177.9761 50 D 4.1936 7.8787 119.7576 57.6212 40.6615 178.9737 51 E 4.1812 8.1108 118.7989 59.4997 29.3319 179.3233 52 M 4.0735 8.0239 118.9111 58.3345 32.0188 178.8350 53 K 3.9033 8.0935 118.5931 59.7583 32.1978 179.1024 54 H 4.1126 8.2313 116.1118 58.7961 28.5841 177.6035 55 A 4.2529 8.5368 122.9780 55.3333 18.1649 179.0368 56 D 4.2955 8.3595 116.6192 57.6795 41.2903 178.7326 57 R 3.8584 7.9231 118.3986 59.4097 30.0493 178.6357 58 Y 4.2710 7.7816 116.3672 61.1931 37.9334 178.6541 59 I 3.7571 8.1820 120.9188 64.7267 37.2866 178.4358 60 E 4.0625 8.4451 119.3556 59.1835 29.1850 179.5583 61 R 4.0017 8.1806 118.8320 59.5516 30.2668 178.3355 62 I 3.7653 8.3379 120.0134 64.6504 37.1759 178.3968 63 L 4.0200 8.0721 119.4594 57.7574 41.2560 179.2139 64 F 4.3414 8.1872 119.4077 61.3552 39.5688 176.4492 65 L 4.6119 8.0145 117.3919 53.9864 41.2476 177.1987 66 E 3.9293 7.9820 117.6590 57.3754 26.9952 174.6181 67 G 3.9248 8.2482 108.8463 44.1656 0.0000 173.7402 68 L 4.5450 8.0062 119.0619 51.9609 42.1638 175.1004 69 P 4.3782 0.0000 0.0000 62.6273 31.7607 176.0229 70 N 4.6901 9.5378 122.1903 52.4709 38.5875 174.1125 71 L 4.6198 8.2996 124.2424 54.5411 42.5794 177.5142 72 Q 4.1032 8.5652 121.8506 58.1989 29.3166 175.8810 73 D 4.6627 8.0835 117.1623 52.8354 41.8768 175.2687 74 L 4.5677 8.3053 125.6029 52.7821 44.0103 176.4747 75 G 3.8268 8.4301 115.5467 44.6523 0.0000 171.7536 76 K 4.1181 8.3022 120.6543 55.7994 32.5753 176.6434 77 L 4.2059 8.3112 126.4436 54.3785 42.3749 176.4052 78 N 4.8294 8.6498 120.7379 51.7039 39.5401 174.4492 79 I 3.7841 8.3353 125.2734 64.0842 37.6528 178.1614 80 G 4.4202 8.2196 102.6574 45.4163 0.0000 172.7244 81 E 4.7769 8.7620 116.9157 55.6005 31.9451 176.2185 82 D 4.9762 7.7143 117.7499 50.2765 43.9971 176.1225 83 V 4.0490 8.4988 119.2730 66.6163 31.3510 177.6803 84 E 3.8640 8.1955 118.1196 59.3452 29.4331 178.1846 85 E 3.9509 8.4359 119.4137 59.4604 29.6804 178.6974 86 M 4.2179 8.3587 117.1898 58.3230 31.3710 178.5937 87 L 4.1676 8.3380 120.2412 57.7178 41.7674 179.7023 88 R 3.9715 8.3270 118.2585 59.1836 29.9354 179.1023 89 S 4.1266 8.1363 113.0379 61.3941 62.3759 175.9006 90 D 4.2089 8.1870 121.6788 57.1373 40.5218 178.4698 91 L 3.9794 8.1354 120.4837 58.2459 42.1868 178.6328 92 A 3.9918 8.3518 121.0737 55.3263 18.2752 179.3917 93 L 3.9162 7.9363 118.5596 58.2786 42.0823 179.0000 94 E 4.0712 8.4047 118.6092 59.4515 29.4241 179.3499 95 L 4.0230 8.1711 119.0259 58.0046 41.7094 179.3667 96 D 4.4886 8.2967 118.9534 57.3489 40.7681 179.1422 97 G 3.6427 8.3384 106.0757 47.6372 0.0000 175.7031 98 A 4.0691 8.4376 123.4685 54.6374 18.4936 179.4823 99 K 3.8432 8.0606 118.2408 59.9546 32.2700 178.7264 100 N 4.4119 8.1493 116.5478 56.2534 38.3439 177.3442 101 L 3.9988 8.0436 120.3325 57.9554 41.8709 179.7970 102 R 3.8926 8.1230 117.9119 59.0919 29.9710 178.7319 103 E 3.8505 8.0523 118.3233 59.2875 29.6357 178.7063 104 A 2.7887 7.7432 120.7010 54.8495 18.2387 179.6590 105 I 3.7239 8.0187 118.7107 64.4097 36.9372 178.9062 106 G 3.5966 7.6893 105.2452 47.8865 0.0000 174.9007 107 Y 4.1003 7.8466 121.7815 60.3048 38.8057 177.3853 108 A 3.8110 8.2206 122.1305 55.3214 18.3764 179.0291 109 D 4.1216 7.7830 116.3285 57.5271 41.1054 178.7063 110 S 4.0987 7.5049 113.0608 60.3346 63.1115 175.7473 111 V 3.9599 6.8149 113.3798 60.4833 31.6631 175.3574 112 H 2.7476 7.0118 114.1674 56.7839 26.7502 176.2787 113 D 4.5004 7.4158 121.5849 53.6680 38.4838 175.8613 114 Y 4.3763 7.6289 121.8775 59.9986 38.3806 177.4817 115 V 3.7219 7.8534 120.1469 64.6794 31.7985 178.3716 116 S 4.1393 8.2211 115.3857 61.3081 62.6077 176.5378 117 R 3.8782 7.9618 121.2408 59.5561 29.9554 177.9350 118 D 4.3112 8.3424 117.8269 57.5474 41.2292 177.7191 119 M 3.9535 8.2270 118.7623 59.2046 32.1919 178.2086 120 M 4.1440 8.2788 118.6705 58.3302 32.0798 178.8902 121 I 3.7421 8.1635 120.5548 64.2055 37.3119 178.2390 122 E 3.9589 8.0776 119.2142 59.5327 29.2505 179.5000 123 I 3.5143 7.6836 119.7763 64.1827 37.0277 178.2625 124 L 3.9365 8.1130 121.3226 58.0039 41.9578 178.8677 125 R 3.8817 8.0590 118.6848 59.6457 30.0226 178.2007 126 D 4.3483 7.9975 118.3321 57.4838 40.8288 178.6902 127 E 4.0132 8.3268 119.1900 59.5082 29.4224 179.3237 128 E 4.3534 8.7378 119.1186 59.0689 29.4296 179.6604 129 G 3.6480 7.9535 105.6614 48.0404 0.0000 175.5216 130 H 4.5671 8.2864 118.7487 58.7485 28.6946 177.7778 131 I 3.8123 8.3886 121.9845 64.6071 37.0225 177.8071 132 D 4.3660 8.3788 118.7162 57.1294 41.0524 178.1234 133 W 4.1321 8.3435 128.6780 60.4580 30.7906 177.7623 134 L 3.7284 8.2204 118.8105 57.9493 41.1656 179.2740 135 E 3.9258 8.3778 118.5061 59.8126 29.3508 179.7352 136 T 3.7782 7.8634 115.4204 66.5880 68.5425 176.5034 137 E 3.7582 7.5778 120.3035 59.3993 29.3159 179.4452 138 L 3.7628 7.6568 118.7718 57.9119 41.6597 179.4298 139 D 4.3862 8.0299 118.7471 57.2289 40.6841 178.7617 140 L 4.0012 8.0169 119.6720 57.7377 41.6527 179.4723 141 I 3.3838 7.3267 119.6987 64.5632 36.7648 178.5306 142 Q 3.9813 7.3400 116.0543 58.6460 28.5935 178.5682 143 K 4.1349 7.9557 119.1016 59.0498 32.3455 178.5146 144 M 4.3713 8.1817 114.2865 54.0095 32.3767 177.2569 145 G 4.1196 7.5452 105.1641 45.9719 0.0000 174.4902 146 L 3.9851 8.3546 120.9873 57.9853 42.1703 179.2198 147 Q 3.9838 8.0708 117.5042 59.2506 28.8544 178.6035 148 N 4.3411 8.1328 116.7634 56.3942 38.4144 176.5741 149 Y 3.9895 7.9506 119.8310 60.7729 39.1904 177.9757 150 L 4.0604 8.4991 120.1974 57.8685 41.2158 179.2383 151 Q 3.9525 8.1645 119.2421 59.0498 28.7606 177.7621 152 A 4.1434 7.6528 119.2462 53.5124 18.7109 178.2681 153 Q 4.2563 7.7206 116.1303 55.8170 29.2444 177.3400 154 I 4.1997 7.2432 111.7225 61.6642 38.2325 176.2301 155 R 4.6594 7.5586 119.6682 53.6979 32.3635 175.4863 156 E 4.1110 8.4928 119.8516 56.0421 30.4474 175.9486 157 E 4.0907 8.4709 122.1227 55.4802 30.7105 176.5512 *158 G 3.7277 8.5447 113.4153 45.9050 0.0000 172.3986 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 1 M 8.16 4.16 0.00 1.38 1.79 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 2 K 8.48 4.03 0.00 1.83 1.67 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 G 8.85 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 4 D 8.48 4.57 0.00 2.77 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 5 T 8.85 3.87 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 1.18 0.00 0.00 6 K 8.17 3.87 0.00 1.69 1.84 0.00 1.37 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.01 7.81 7 V 8.35 3.90 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 1.12 0.00 0.00 1.16 0.00 0.00 8 I 7.78 3.74 2.03 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 1.55 0.66 0.92 0.00 0.00 9 N 8.16 4.23 0.00 2.66 2.66 0.00 0.00 7.08 6.77 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 10 Y 7.95 4.17 0.00 3.29 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 11 L 8.54 3.93 0.00 2.05 1.79 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.48 4.38 0.00 2.89 2.82 0.00 0.00 6.66 8.99 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 13 K 8.11 3.87 0.00 1.85 1.97 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 7.98 3.80 0.00 0.97 1.11 0.97 0.76 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 15 L 7.65 3.94 0.00 1.67 1.82 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.17 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 17 N 8.10 4.33 0.00 2.96 2.91 0.00 0.00 7.05 7.77 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 18 E 8.26 4.10 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 19 L 8.26 4.03 0.00 1.81 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.77 3.57 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 1.01 0.00 0.00 0.96 0.00 0.00 21 A 8.07 3.87 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 22 I 8.23 3.76 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.91 0.90 0.00 0.00 23 N 7.87 4.40 0.00 2.91 2.86 0.00 0.00 6.76 7.48 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 24 Q 8.22 3.81 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.10 4.35 0.00 3.22 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 26 F 8.46 3.89 0.00 3.42 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 27 L 8.17 3.95 0.00 1.98 1.60 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.30 3.75 0.00 3.49 3.19 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.20 4.17 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 30 R 7.71 3.81 0.00 1.77 1.89 0.00 3.27 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.78 0.00 31 M 7.78 3.40 0.00 0.81 1.49 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 32 F 7.45 4.58 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.30 3.88 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 8.05 4.22 0.00 2.65 2.68 0.00 0.00 7.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.94 4.78 0.00 3.74 3.18 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 36 G 8.35 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 37 L 8.16 4.67 0.00 2.18 1.67 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 3.80 0.00 2.01 1.82 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.61 7.81 39 R 8.25 3.90 0.00 2.10 2.01 0.00 3.52 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.77 4.10 0.00 1.67 1.03 1.10 0.22 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 41 N 8.21 4.54 0.00 3.12 3.02 0.00 0.00 7.19 8.50 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 42 D 8.06 4.31 0.00 2.85 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 43 V 7.52 3.27 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 -0.68 0.00 0.00 0.76 0.00 0.00 44 E 8.28 3.90 0.00 2.35 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 0.00 2.65 3.15 0.00 45 Y 8.21 3.88 0.00 2.95 3.10 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 46 H 8.15 3.91 0.00 3.33 3.37 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.12 3.40 0.00 1.16 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 1.88 1.79 0.00 48 S 7.76 4.11 0.00 4.05 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 49 I 7.36 3.54 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.37 0.78 0.00 0.00 50 D 7.88 4.19 0.00 2.62 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 51 E 8.11 4.18 0.00 2.19 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 2.71 2.82 0.00 52 M 8.02 4.07 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 53 K 8.09 3.90 0.00 1.87 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.65 7.81 54 H 8.23 4.11 0.00 3.55 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.54 4.25 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 56 D 8.36 4.30 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.92 3.86 0.00 1.82 1.77 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 58 Y 7.78 4.27 0.00 3.24 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.18 3.76 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 0.95 0.00 0.00 60 E 8.45 4.06 0.00 2.02 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 2.61 0.00 61 R 8.18 4.00 0.00 2.12 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.34 3.77 2.07 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 1.59 0.62 0.97 0.00 0.00 63 L 8.07 4.02 0.00 2.10 1.79 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.19 4.34 0.00 2.97 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.01 4.61 0.00 1.88 1.63 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 3.93 0.00 2.08 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 2.15 2.26 0.00 67 G 8.25 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.54 0.00 1.59 1.62 0.92 0.98 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.54 4.69 0.00 2.60 2.72 0.00 0.00 7.08 7.94 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 71 L 8.30 4.62 0.00 1.63 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.57 4.10 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.08 4.66 0.00 2.68 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 74 L 8.31 4.57 0.00 1.52 1.51 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.43 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 76 K 8.30 4.12 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.31 4.21 0.00 1.64 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.65 4.83 0.00 2.62 2.69 0.00 0.00 7.21 7.57 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 79 I 8.34 3.78 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.93 0.00 0.00 80 G 8.22 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.76 4.78 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 82 D 7.71 4.98 0.00 2.78 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 83 V 8.50 4.05 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 1.29 0.00 0.00 1.28 0.00 0.00 84 E 8.20 3.86 0.00 2.01 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 2.34 2.29 0.00 85 E 8.44 3.95 0.00 2.37 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 2.34 0.00 86 M 8.36 4.22 0.00 2.20 1.82 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.05 0.00 87 L 8.34 4.17 0.00 2.06 1.77 1.26 0.80 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 88 R 8.33 3.97 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 89 S 8.14 4.13 0.00 4.03 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 0.00 90 D 8.19 4.21 0.00 3.12 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 91 L 8.14 3.98 0.00 1.91 1.89 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.35 3.99 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 93 L 7.94 3.92 0.00 1.88 1.82 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.40 4.07 0.00 2.30 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 2.63 2.73 0.00 95 L 8.17 4.02 0.00 2.05 1.74 0.96 1.04 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 96 D 8.30 4.49 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.44 4.07 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 99 K 8.06 3.84 0.00 2.05 2.04 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.15 4.41 0.00 3.01 2.90 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.04 4.00 0.00 2.00 1.74 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.12 3.89 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 103 E 8.05 3.85 0.00 2.09 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 2.38 2.39 0.00 104 A 7.74 2.79 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.02 3.72 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.91 0.00 0.00 106 G 7.69 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.85 4.10 0.00 3.13 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 0.00 108 A 8.22 3.81 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 0.00 109 D 7.78 4.12 0.00 2.82 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 0.00 110 S 7.50 4.10 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.81 3.96 1.92 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 0.50 0.00 0.00 0.63 0.00 0.00 112 H 7.01 2.75 0.00 3.15 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.42 4.50 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.63 4.38 0.00 3.09 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 0.00 115 V 7.85 3.72 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 0.90 0.00 0.00 0.96 0.00 0.00 116 S 8.22 4.14 0.00 3.99 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 0.00 117 R 7.96 3.88 0.00 1.91 2.24 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 118 D 8.34 4.31 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.23 3.95 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 120 M 8.28 4.14 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.81 0.00 121 I 8.16 3.74 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.21 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 2.31 2.47 0.00 123 I 7.68 3.51 1.90 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.51 0.75 0.00 0.00 124 L 8.11 3.94 0.00 1.86 1.88 0.95 0.73 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 R 8.06 3.88 0.00 2.04 2.12 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 8.00 4.35 0.00 3.02 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 0.00 127 E 8.33 4.01 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 128 E 8.74 4.35 0.00 2.02 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 2.37 2.53 0.00 129 G 7.95 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 0.00 130 H 8.29 4.57 0.00 3.55 3.63 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.39 3.81 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.97 0.00 0.00 132 D 8.38 4.37 0.00 2.98 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 0.00 133 W 8.34 4.13 0.00 3.56 3.49 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 0.00 134 L 8.22 3.73 0.00 2.02 1.75 1.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.38 3.93 0.00 2.13 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 2.34 2.56 0.00 136 T 7.86 3.78 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 1.17 0.00 0.00 137 E 7.58 3.76 0.00 1.54 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.66 3.76 0.00 1.72 1.61 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.03 4.39 0.00 2.79 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 0.00 140 L 8.02 4.00 0.00 1.87 1.85 0.98 0.73 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 0.00 141 I 7.33 3.38 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.11 0.71 0.00 0.00 142 Q 7.34 3.98 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 143 K 7.96 4.13 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 144 M 8.18 4.37 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.88 0.00 145 G 7.55 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 0.00 146 L 8.35 3.99 0.00 1.75 1.67 0.96 0.69 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 0.00 147 Q 8.07 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.13 4.34 0.00 2.98 2.89 0.00 0.00 6.67 7.48 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 0.00 149 Y 7.95 3.99 0.00 3.02 3.18 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 0.00 150 L 8.50 4.06 0.00 2.02 1.70 1.06 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 0.00 151 Q 8.16 3.95 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 152 A 7.65 4.14 1.24 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 0.00 153 Q 7.72 4.26 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 154 I 7.24 4.20 1.87 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 1.45 0.95 0.00 0.00 155 R 7.56 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 156 E 8.49 4.11 0.00 2.08 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 2.26 2.27 0.00 157 E 8.47 4.09 0.00 1.95 1.87 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 2.26 2.30 0.00 *158 G 8.54 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 * Residues marked with a * may have inaccurate shift predictions.