NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1595 8.1627 120.2747 54.7027 33.1355 173.9885 2 K 4.0307 8.4769 128.4548 56.0999 32.6205 175.1943 3 G 3.9858 8.8725 116.1399 44.9965 0.0000 171.8653 4 D 4.5697 8.4800 119.7088 54.3645 41.9779 177.1403 5 T 3.8751 8.8391 122.7708 66.8086 68.5745 176.7078 6 K 3.8755 8.1641 120.9565 58.9734 32.2341 178.9007 7 V 3.8982 8.3289 118.8934 66.1903 31.4280 177.8413 8 I 3.7506 7.7936 119.4550 64.6443 36.9886 178.0665 9 N 4.2348 8.1561 116.9733 56.5168 38.2700 176.9290 10 Y 4.1716 7.9312 117.9748 61.2489 38.0106 178.8192 11 L 3.9276 8.5370 120.1068 58.0060 41.6476 179.4633 12 N 4.4002 8.4856 116.6744 55.9312 38.4150 177.4921 13 K 3.8665 8.1069 121.1645 59.4000 32.3442 178.9671 14 L 3.7915 7.9828 119.5720 57.4515 41.3670 178.8838 15 L 3.9423 7.6598 120.8497 58.3436 42.0185 179.1998 16 G 3.6712 8.1662 105.4394 47.9599 0.0000 175.1775 17 N 4.3346 8.0930 118.7432 56.2143 38.5861 177.2621 18 E 4.0994 8.2458 119.7777 59.5377 29.2926 179.4705 19 L 4.0336 8.2558 119.2104 57.6475 41.6214 179.7607 20 V 3.5750 7.7614 117.6537 66.0602 31.4626 177.9345 21 A 3.8700 8.0754 120.4329 55.0497 18.1876 179.4077 22 I 3.7626 8.2505 118.7484 64.9377 37.2646 178.4033 23 N 4.3986 7.8781 116.7130 56.2757 38.2969 177.4632 24 Q 3.8040 8.2187 120.9657 59.4301 29.1188 177.6482 25 Y 4.3484 8.0909 118.0341 61.1204 37.9835 178.6627 26 F 3.8918 8.4888 121.5052 61.0457 39.5061 176.8405 27 L 3.9532 8.1784 120.0076 58.6138 41.8367 178.4933 28 H 3.7650 8.3120 115.9251 58.7709 28.5707 177.2912 29 A 4.1732 8.1980 122.6123 55.6878 18.1531 179.9181 30 R 3.8104 7.7004 115.4656 58.7680 30.1364 179.2330 31 M 3.3959 7.7992 119.1344 58.0966 31.7618 178.4880 32 F 4.5772 7.4551 117.8918 60.5589 39.1079 177.5543 33 K 3.8854 8.2857 119.2788 59.6087 31.7796 177.9442 34 N 4.2235 8.0331 116.1352 56.7781 38.9133 176.2775 35 W 4.7715 7.9218 117.0744 57.6172 29.4056 177.2482 36 G 4.0007 8.3629 108.3477 45.8336 0.0000 174.1163 37 L 4.6746 8.1735 122.4423 52.5334 38.2478 176.7820 38 K 3.7988 7.9111 123.8906 59.8939 32.6116 177.5366 39 R 3.8989 8.2428 118.8294 59.3948 29.9574 178.5035 40 L 4.0991 7.7714 118.4351 57.3997 41.6102 178.5414 41 N 4.5332 8.2075 117.1290 56.9752 38.9142 176.6273 42 D 4.3092 8.0555 120.0973 57.3729 40.9227 179.0763 43 V 3.2670 7.5194 118.1815 65.9582 31.4501 178.0047 44 E 3.9058 8.2976 118.4270 59.2998 29.3125 178.6772 45 Y 3.8859 8.1875 119.7676 60.9034 38.8472 177.5699 46 H 3.9125 8.1474 119.0142 59.3098 29.9120 176.8609 47 E 3.4054 8.1316 120.6362 59.1836 29.0526 179.2119 48 S 4.1124 7.7529 112.9881 61.6053 62.4436 176.3668 49 I 3.5371 7.3538 122.2344 64.2926 36.7793 177.9882 50 D 4.1956 7.8726 119.7388 57.6105 40.6550 178.9616 51 E 4.1815 8.1174 118.8093 59.5026 29.3320 179.3183 52 M 4.0741 8.0203 118.9114 58.3450 32.0154 178.8533 53 K 3.9100 8.0866 118.5731 59.7434 32.1947 179.1125 54 H 4.1124 8.2394 116.1409 58.7941 28.5788 177.6192 55 A 4.2536 8.5341 122.9843 55.3150 18.1701 179.0314 56 D 4.2947 8.3570 116.6334 57.6830 41.2890 178.7450 57 R 3.8575 7.9107 118.3930 59.4014 30.0488 178.6272 58 Y 4.2723 7.7766 116.3704 61.1963 37.9348 178.6558 59 I 3.7558 8.1683 120.8902 64.7382 37.2986 178.4378 60 E 4.0627 8.4411 119.3351 59.1769 29.1691 179.5595 61 R 4.0019 8.1813 118.8349 59.5525 30.2821 178.3326 62 I 3.7617 8.3378 120.0119 64.6414 37.1756 178.3837 63 L 4.0157 8.0566 119.4550 57.7733 41.2598 179.2190 64 F 4.3513 8.1735 119.3494 61.3708 39.5705 176.4548 65 L 4.5856 8.0375 117.4232 54.0152 41.2486 177.1979 66 E 3.9236 8.0070 117.6715 57.3803 26.9772 174.5818 67 G 3.9341 8.2738 108.7324 44.1263 0.0000 173.7061 68 L 4.5459 8.0093 119.0412 51.9670 42.1817 175.1277 69 P 4.3804 0.0000 0.0000 62.6194 31.7612 176.0134 70 N 4.6921 9.5045 122.1885 52.4618 38.5794 174.1139 71 L 4.6197 8.2922 124.2157 54.5305 42.6046 177.5302 72 Q 4.1006 8.5228 121.7361 58.2014 29.3118 175.8755 73 D 4.6645 8.0839 117.1739 52.8262 41.8849 175.2665 74 L 4.5683 8.3046 125.5905 52.7836 44.0137 176.4889 75 G 3.8264 8.4288 115.5700 44.6683 0.0000 171.7214 76 K 4.1243 8.3033 120.6436 55.7775 32.5888 176.6651 77 L 4.2100 8.3080 126.4266 54.3739 42.3812 176.4080 78 N 4.8298 8.6535 120.6913 51.7010 39.5501 174.4430 79 I 3.7818 8.3392 125.2777 64.0679 37.6483 178.1662 80 G 4.4231 8.2185 102.6251 45.4049 0.0000 172.7237 81 E 4.7788 8.7622 116.8655 55.5820 31.9492 176.2150 82 D 4.9775 7.7143 117.7535 50.2743 43.9960 176.1054 83 V 4.0483 8.5052 119.2625 66.6246 31.3416 177.6657 84 E 3.8626 8.1995 118.0951 59.3469 29.4334 178.1815 85 E 3.9502 8.4266 119.3824 59.4744 29.6818 178.7020 86 M 4.2152 8.3491 117.1696 58.3359 31.3457 178.5878 87 L 4.1657 8.3396 120.2497 57.7159 41.7722 179.7120 88 R 3.9649 8.3228 118.2488 59.1801 29.9368 179.0992 89 S 4.1309 8.1469 113.0752 61.3800 62.3563 175.8996 90 D 4.2057 8.1803 121.6779 57.1411 40.5274 178.4456 91 L 3.9772 8.1483 120.4965 58.2588 42.1810 178.6442 92 A 3.9917 8.3618 121.0532 55.3043 18.2770 179.3784 93 L 3.9121 7.9330 118.5619 58.2944 42.0852 178.9987 94 E 4.0712 8.4175 118.6251 59.4632 29.4289 179.3626 95 L 4.0227 8.1718 119.0149 58.0005 41.7115 179.3584 96 D 4.4889 8.2976 118.9565 57.3557 40.7674 179.1495 97 G 3.6429 8.3407 106.0713 47.6308 0.0000 175.7073 98 A 4.0719 8.4370 123.4643 54.6337 18.4933 179.4969 99 K 3.8485 8.0534 118.2336 59.9567 32.2816 178.7398 100 N 4.4140 8.1478 116.5571 56.2418 38.3372 177.3546 101 L 4.0003 8.0500 120.3432 57.9576 41.8685 179.7997 102 R 3.8955 8.1158 117.9108 59.0762 29.9655 178.7318 103 E 3.8465 8.0566 118.3452 59.2915 29.6344 178.7001 104 A 2.8093 7.7341 120.6906 54.8578 18.2564 179.6589 105 I 3.7200 8.0362 118.7259 64.3974 36.9388 178.8871 106 G 3.6034 7.6856 105.2401 47.9105 0.0000 174.8853 107 Y 4.0961 7.9306 121.8156 60.2906 38.8025 177.3974 108 A 3.8137 8.2038 122.1064 55.3289 18.3760 179.0187 109 D 4.1266 7.7881 116.2481 57.5452 41.1012 178.7302 110 S 4.0915 7.4941 113.0397 60.3750 63.1066 175.7490 111 V 3.9504 6.8169 113.3188 60.4873 31.6465 175.3995 112 H 2.7530 7.0121 114.1929 56.7788 26.7568 176.2922 113 D 4.4989 7.4250 121.6185 53.6518 38.4184 175.8958 114 Y 4.3735 7.5935 121.8053 60.0235 38.3918 177.4903 115 V 3.7278 7.8593 120.1384 64.6451 31.7922 178.3895 116 S 4.1395 8.2285 115.3722 61.3264 62.6078 176.5266 117 R 3.8786 7.9817 121.2734 59.5436 29.9368 177.9395 118 D 4.3078 8.3551 117.8534 57.5499 41.2312 177.7203 119 M 3.9508 8.2178 118.7487 59.2022 32.2039 178.2065 120 M 4.1460 8.2870 118.6759 58.3238 32.0748 178.8925 121 I 3.7488 8.1388 120.5233 64.2142 37.3196 178.2365 122 E 3.9611 8.0901 119.2737 59.5251 29.2398 179.5005 123 I 3.5186 7.6870 119.7938 64.1810 37.0318 178.2685 124 L 3.9377 8.1047 121.3098 57.9995 41.9808 178.8808 125 R 3.8841 8.0577 118.6991 59.6258 30.0270 178.2027 126 D 4.3496 7.9984 118.3402 57.4739 40.8361 178.6815 127 E 4.0120 8.3324 119.2002 59.5260 29.4434 179.3315 128 E 4.3674 8.7484 119.1165 59.0705 29.4252 179.6757 129 G 3.6515 7.9443 105.6543 48.0567 0.0000 175.5162 130 H 4.5690 8.2796 118.7877 58.7371 28.6879 177.7930 131 I 3.8117 8.4167 121.9629 64.6076 37.0170 177.8302 132 D 4.3653 8.3699 118.7064 57.1153 41.0534 178.1337 133 W 4.1187 8.3530 128.7074 60.4406 30.7924 177.8006 134 L 3.7237 8.2128 118.8363 57.9299 41.1575 179.2750 135 E 3.9239 8.3944 118.5624 59.7897 29.3451 179.7089 136 T 3.7727 7.8663 115.4349 66.6059 68.5402 176.4878 137 E 3.7593 7.5754 120.2887 59.3889 29.2286 179.4380 138 L 3.7584 7.6595 118.7789 57.9202 41.6682 179.4325 139 D 4.3785 8.0194 118.7404 57.2328 40.6866 178.7647 140 L 4.0041 8.0221 119.6791 57.7432 41.6499 179.4889 141 I 3.3855 7.3192 119.7097 64.5382 36.7573 178.5324 142 Q 3.9788 7.3461 116.1336 58.6580 28.5970 178.5644 143 K 4.1344 7.9635 119.0779 59.0512 32.3393 178.5184 144 M 4.3708 8.1852 114.3183 54.0240 32.3766 177.2744 145 G 4.1182 7.5444 105.1361 45.9743 0.0000 174.4837 146 L 3.9846 8.3543 120.9951 57.9821 42.1794 179.2125 147 Q 3.9843 8.0744 117.5115 59.2467 28.8578 178.6068 148 N 4.3412 8.1340 116.7556 56.4057 38.4167 176.5690 149 Y 3.9923 7.9571 119.8129 60.7710 39.1880 177.9745 150 L 4.0587 8.5061 120.1917 57.8700 41.2185 179.2366 151 Q 3.9527 8.1782 119.2309 59.0451 28.7586 177.7433 152 A 4.1485 7.6440 119.1749 53.4803 18.7183 178.2568 153 Q 4.2587 7.7173 116.1506 55.8101 29.2624 177.3457 154 I 4.1904 7.2423 111.7003 61.6754 38.2263 176.2311 155 R 4.6595 7.5573 119.6634 53.6973 32.3609 175.4929 156 E 4.1108 8.4911 119.8260 56.0467 30.4457 175.9443 157 E 4.0940 8.4687 122.0936 55.4694 30.7154 176.5484 *158 G 3.7276 8.5441 113.4112 45.9050 0.0000 172.3992 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 1.36 1.78 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 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 8.87 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 2.63 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 5 T 8.84 3.88 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 8.16 3.88 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 0.80 1.01 7.81 7 V 8.33 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 1.08 0.00 0.00 1.21 0.00 0.00 8 I 7.79 3.75 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 0.67 0.92 0.00 0.00 9 N 8.16 4.23 0.00 2.66 2.66 0.00 0.00 7.07 6.95 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 10 Y 7.93 4.17 0.00 3.30 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 1.12 0.84 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 8.49 4.40 0.00 2.89 2.82 0.00 0.00 6.66 8.90 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 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 1.44 7.81 14 L 7.98 3.79 0.00 0.96 1.11 0.97 0.71 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 7.66 3.94 0.00 1.67 1.82 1.01 1.14 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 3.67 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 17 N 8.09 4.33 0.00 2.96 2.91 0.00 0.00 7.05 7.80 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 18 E 8.25 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 2.75 2.90 0.00 19 L 8.26 4.03 0.00 1.81 1.72 0.92 1.12 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 7.76 3.58 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 1.02 0.00 0.00 1.02 0.00 0.00 21 A 8.08 3.87 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 22 I 8.25 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 1.08 0.90 0.00 0.00 23 N 7.88 4.40 0.00 2.90 2.86 0.00 0.00 6.76 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 24 Q 8.22 3.80 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 8.09 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 8.49 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 8.18 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 8.31 3.76 0.00 3.48 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 1.40 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 30 R 7.70 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 1.43 1.78 0.00 31 M 7.80 3.40 0.00 0.81 1.50 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 2.41 2.17 0.00 32 F 7.46 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 8.29 3.89 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 1.42 7.81 34 N 8.03 4.22 0.00 2.66 2.68 0.00 0.00 7.36 7.51 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 35 W 7.92 4.77 0.00 3.74 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 36 G 8.36 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 8.17 4.67 0.00 2.18 1.67 1.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 3.80 0.00 2.00 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 8.24 3.90 0.00 2.10 2.00 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 1.06 0.20 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 4.53 0.00 3.11 3.02 0.00 0.00 7.18 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 -0.79 0.00 0.00 0.82 0.00 0.00 44 E 8.30 3.91 0.00 2.34 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 8.19 3.89 0.00 2.94 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 8.13 3.41 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 7.75 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 7.35 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 0.42 0.78 0.00 0.00 50 D 7.87 4.20 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 8.12 4.18 0.00 2.18 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 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 53 K 8.09 3.91 0.00 1.88 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 8.24 4.11 0.00 3.56 3.47 0.00 5.64 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 8.53 4.25 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 56 D 8.36 4.29 0.00 2.91 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 57 R 7.91 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 1.78 0.00 58 Y 7.78 4.27 0.00 3.24 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 59 I 8.17 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 0.94 0.95 0.00 0.00 60 E 8.44 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 3.76 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 0.60 0.96 0.00 0.00 63 L 8.06 4.02 0.00 2.10 1.79 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.17 4.35 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 8.04 4.59 0.00 1.88 1.63 1.05 0.59 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 8.01 3.92 0.00 2.08 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 2.15 2.26 0.00 67 G 8.27 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 0.00 0.00 0.00 68 L 8.01 4.55 0.00 1.59 1.62 0.92 0.99 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 3.80 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 9.50 4.69 0.00 2.59 2.72 0.00 0.00 7.07 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 71 L 8.29 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 8.52 4.10 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 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 8.30 4.57 0.00 1.52 1.51 0.91 1.11 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 7.51 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 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 0.94 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 8.51 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 1.28 0.00 0.00 1.29 0.00 0.00 84 E 8.20 3.86 0.00 2.01 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 0.00 2.34 2.29 0.00 85 E 8.43 3.95 0.00 2.38 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 8.35 4.22 0.00 2.20 1.82 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.04 0.00 87 L 8.34 4.17 0.00 2.06 1.77 1.27 0.83 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 8.32 3.96 0.00 2.00 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 8.15 4.13 0.00 4.02 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 8.18 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 8.15 3.98 0.00 1.91 1.89 0.98 0.87 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 8.36 3.99 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 93 L 7.93 3.91 0.00 1.88 1.82 0.90 0.93 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 8.42 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 0.99 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 1.40 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 99 K 8.05 3.85 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 6.78 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 0.00 101 L 8.05 4.00 0.00 2.00 1.74 0.98 0.83 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 3.90 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 8.06 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 2.37 2.39 0.00 104 A 7.73 2.81 1.11 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 0.00 0.00 105 I 8.04 3.72 1.85 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 1.48 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 7.93 4.10 0.00 3.14 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 0.00 108 A 8.20 3.81 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 0.00 109 D 7.79 4.13 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 7.49 4.09 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 6.82 3.95 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 0.45 0.00 0.00 0.64 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 6.87 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 7.59 4.37 0.00 3.10 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 0.00 115 V 7.86 3.73 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 0.90 0.00 0.00 0.96 0.00 0.00 116 S 8.23 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 7.98 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 1.70 1.68 0.00 118 D 8.36 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 8.22 3.95 0.00 2.24 2.02 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 2.47 2.41 0.00 120 M 8.29 4.15 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.14 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 8.14 3.75 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 1.04 0.91 0.00 0.00 122 E 8.09 3.96 0.00 2.20 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 7.69 3.52 1.90 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.73 0.00 0.00 124 L 8.10 3.94 0.00 1.87 1.88 0.95 0.72 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 2.05 2.12 0.00 3.15 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 1.63 1.69 0.00 126 D 8.00 4.35 0.00 3.03 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 8.75 4.37 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 129 G 7.94 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 8.28 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 8.42 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 0.91 0.97 0.00 0.00 132 D 8.37 4.37 0.00 2.99 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 8.35 4.12 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 8.21 3.72 0.00 2.02 1.74 1.37 1.34 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 0.00 135 E 8.39 3.92 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 7.87 3.77 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 1.64 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 1.47 1.47 0.00 138 L 7.66 3.76 0.00 1.72 1.61 0.91 0.87 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 8.02 4.38 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 1.02 0.75 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 7.32 3.39 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 -0.14 0.09 0.71 0.00 0.00 142 Q 7.35 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 8.19 4.37 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.89 0.00 145 G 7.54 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 3.98 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 7.96 3.99 0.00 3.03 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 8.51 4.06 0.00 2.02 1.70 1.06 0.82 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 8.18 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 7.64 4.15 1.23 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 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 2.04 2.14 0.00 154 I 7.24 4.19 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 1.50 1.44 0.97 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.