NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1603 8.1627 120.2751 54.7084 33.1376 173.9835 2 K 4.0321 8.4774 128.4522 56.0925 32.6226 175.1954 3 G 3.9861 8.8324 116.0767 44.9824 0.0000 171.8622 4 D 4.5653 8.4824 119.6949 54.3831 41.9563 177.1529 5 T 3.8742 8.8368 122.7555 66.8017 68.5732 176.7045 6 K 3.8787 8.1692 120.9507 58.9599 32.2252 178.9288 7 V 3.8985 8.3264 118.9057 66.1776 31.4356 177.8346 8 I 3.7518 7.7841 119.4817 64.6541 36.9720 178.0777 9 N 4.2351 8.1443 116.9824 56.4999 38.2655 176.9372 10 Y 4.1593 7.9307 117.9908 61.2525 37.9973 178.8273 11 L 3.9203 8.5188 120.1235 57.9786 41.6360 179.4579 12 N 4.3717 8.4718 116.6789 55.9450 38.4214 177.4709 13 K 3.8655 8.1270 121.1685 59.4003 32.3338 178.9576 14 L 3.7903 7.9874 119.5720 57.4522 41.3705 178.8926 15 L 3.9456 7.6420 120.8601 58.3474 42.0405 179.2190 16 G 3.6578 8.1819 105.4695 47.9295 0.0000 175.1913 17 N 4.3394 8.0954 118.7128 56.2513 38.5675 177.2777 18 E 4.1022 8.2464 119.7868 59.5243 29.2349 179.4837 19 L 4.0262 8.2602 119.2266 57.6210 41.6163 179.7502 20 V 3.5708 7.7577 117.6384 66.0571 31.4617 177.9377 21 A 3.8720 8.1003 120.4409 55.0478 18.1658 179.4381 22 I 3.7635 8.2204 118.7332 64.9198 37.2760 178.4210 23 N 4.3942 7.8712 116.6590 56.2684 38.2977 177.4670 24 Q 3.8098 8.2227 120.9779 59.4304 29.1194 177.6390 25 Y 4.3539 8.1025 118.0426 61.1343 37.9877 178.6697 26 F 3.8935 8.4431 121.5390 61.0276 39.5036 176.8890 27 L 3.9569 8.1672 119.9867 58.6000 41.8512 178.4810 28 H 3.7601 8.3076 115.9528 58.7759 28.5653 177.3019 29 A 4.1666 8.2169 122.6279 55.6638 18.1560 179.9028 30 R 3.8103 7.6908 115.4297 58.7398 30.1474 179.2288 31 M 3.3935 7.7949 119.1497 58.0923 31.7611 178.4786 32 F 4.5737 7.4290 117.8862 60.5612 39.1120 177.5499 33 K 3.8843 8.2958 119.3039 59.6237 31.7781 177.9423 34 N 4.2246 8.0307 116.1225 56.7780 38.9077 176.2687 35 W 4.7732 7.9305 117.1369 57.6216 29.4139 177.2559 36 G 4.0021 8.3644 108.3296 45.8307 0.0000 174.0968 37 L 4.6779 8.1869 122.5038 52.5380 38.2603 176.7696 38 K 3.8059 7.9139 123.8496 59.8857 32.5903 177.5499 39 R 3.8979 8.2317 118.8103 59.3816 29.9678 178.5006 40 L 4.0994 7.7714 118.4435 57.3922 41.6188 178.5231 41 N 4.5338 8.1933 117.0641 57.0023 38.9010 176.6431 42 D 4.3099 8.0415 120.0930 57.3523 40.9184 179.0618 43 V 3.2685 7.5245 118.2399 65.9547 31.4366 178.0176 44 E 3.9070 8.2919 118.4144 59.2946 29.3147 178.6803 45 Y 3.8757 8.1827 119.7652 60.8904 38.8553 177.5288 46 H 3.9066 8.1511 119.0447 59.3341 29.9010 176.8606 47 E 3.4115 8.1371 120.6017 59.1790 29.0520 179.2171 48 S 4.1046 7.7666 113.0231 61.6053 62.4484 176.3728 49 I 3.5437 7.3541 122.2511 64.2721 36.7737 177.9674 50 D 4.1997 7.8639 119.7514 57.6325 40.6343 178.9865 51 E 4.1803 8.0950 118.7838 59.4849 29.3417 179.2946 52 M 4.0672 8.0223 118.9129 58.3594 32.0193 178.8474 53 K 3.9064 8.0803 118.5489 59.7402 32.1967 179.1053 54 H 4.1086 8.2289 116.1255 58.8080 28.5855 177.6151 55 A 4.2576 8.4933 122.9715 55.3148 18.1612 179.0429 56 D 4.2926 8.3472 116.6023 57.6746 41.2985 178.7227 57 R 3.8575 7.9131 118.4074 59.4089 30.0466 178.6285 58 Y 4.2851 7.7845 116.3545 61.2065 37.9412 178.6570 59 I 3.7591 8.1740 120.8973 64.7287 37.2704 178.4330 60 E 4.0613 8.4501 119.3622 59.1849 29.1761 179.5484 61 R 3.9975 8.1839 118.8167 59.5507 30.2771 178.3302 62 I 3.7618 8.3270 120.0215 64.6529 37.1813 178.3767 63 L 4.0188 8.0628 119.4409 57.7668 41.2547 179.2217 64 F 4.3471 8.2051 119.4078 61.3670 39.5714 176.4531 65 L 4.6006 8.0331 117.3989 53.9657 41.2522 177.1487 66 E 3.9258 7.9953 117.6509 57.4209 26.9893 174.5813 67 G 3.9351 8.2707 108.7417 44.1243 0.0000 173.7099 68 L 4.5471 8.0090 119.0469 51.9626 42.1930 175.1152 69 P 4.3761 0.0000 0.0000 62.6238 31.7614 176.0087 70 N 4.6922 9.5392 122.1867 52.4624 38.5953 174.1285 71 L 4.6189 8.2941 124.2484 54.5359 42.6126 177.5307 72 Q 4.0985 8.5267 121.7172 58.2265 29.3069 175.8802 73 D 4.6606 8.0841 117.1641 52.8424 41.8740 175.2689 74 L 4.5669 8.3050 125.5967 52.7814 44.0023 176.4738 75 G 3.8271 8.4307 115.5619 44.6689 0.0000 171.7296 76 K 4.1247 8.3016 120.6362 55.7813 32.5931 176.6353 77 L 4.2131 8.3082 126.4155 54.3515 42.3921 176.3911 78 N 4.8294 8.6412 120.7301 51.7159 39.5461 174.4507 79 I 3.7848 8.3411 125.3177 64.0749 37.6553 178.1553 80 G 4.4186 8.2228 102.6727 45.4213 0.0000 172.7273 81 E 4.7770 8.7629 116.9478 55.5987 31.9405 176.2099 82 D 4.9767 7.7133 117.7589 50.2729 44.0039 176.1130 83 V 4.0510 8.5079 119.2813 66.6252 31.3360 177.7008 84 E 3.8645 8.1878 118.0994 59.3236 29.4429 178.1584 85 E 3.9501 8.4402 119.4702 59.4838 29.6870 178.7036 86 M 4.2210 8.3565 117.1691 58.3306 31.3477 178.6001 87 L 4.1695 8.3355 120.2267 57.7136 41.7820 179.6913 88 R 3.9651 8.3319 118.2784 59.1912 29.9355 179.1040 89 S 4.1426 8.1427 113.0558 61.3620 62.3666 175.9037 90 D 4.2027 8.1717 121.6793 57.1334 40.5198 178.4163 91 L 3.9783 8.1447 120.5055 58.2699 42.1795 178.6387 92 A 3.9893 8.3813 121.0394 55.3214 18.2747 179.3825 93 L 3.9151 7.9355 118.5523 58.2821 42.0834 179.0005 94 E 4.0696 8.4034 118.6031 59.4571 29.4381 179.3535 95 L 4.0240 8.1785 119.0330 58.0075 41.7303 179.3592 96 D 4.4895 8.2983 118.9440 57.3585 40.7656 179.1569 97 G 3.6401 8.3401 106.0732 47.6322 0.0000 175.7035 98 A 4.0714 8.4496 123.4943 54.6373 18.4978 179.5187 99 K 3.8546 8.0505 118.2087 59.9372 32.2958 178.7491 100 N 4.4106 8.1337 116.5499 56.2489 38.3439 177.3375 101 L 4.0025 8.0525 120.3380 57.9641 41.8773 179.8103 102 R 3.8911 8.1170 117.8948 59.0790 29.9692 178.7250 103 E 3.8503 8.0663 118.3984 59.2928 29.6293 178.6977 104 A 2.8220 7.7274 120.6780 54.8572 18.2237 179.6625 105 I 3.7187 8.0064 118.6662 64.3959 36.9423 178.8865 106 G 3.6012 7.6712 105.1613 47.9019 0.0000 174.8903 107 Y 4.0899 7.9279 121.8259 60.3175 38.8125 177.3950 108 A 3.8166 8.1950 122.0893 55.3494 18.3687 179.0478 109 D 4.1196 7.7818 116.3498 57.5300 41.1148 178.7310 110 S 4.0822 7.4846 113.0367 60.4117 63.0942 175.7475 111 V 3.9431 6.8226 113.2532 60.5136 31.6438 175.4542 112 H 2.7744 7.0083 114.2495 56.7717 26.7166 176.2886 113 D 4.4989 7.4311 121.6857 53.6799 38.4793 175.8918 114 Y 4.3708 7.6303 121.9049 60.0262 38.4120 177.4472 115 V 3.7298 7.8596 120.1001 64.6202 31.7865 178.3911 116 S 4.1427 8.2262 115.3696 61.3541 62.6148 176.5077 117 R 3.8804 7.9662 121.2579 59.5604 29.9319 177.9342 118 D 4.3083 8.3573 117.8351 57.5419 41.2294 177.7271 119 M 3.9530 8.1928 118.6953 59.1902 32.2058 178.1974 120 M 4.1418 8.2839 118.7026 58.3488 32.0799 178.8939 121 I 3.7469 8.1439 120.4988 64.2188 37.3055 178.2401 122 E 3.9627 8.0867 119.2574 59.5329 29.2264 179.5043 123 I 3.5165 7.6865 119.7911 64.1776 37.0388 178.2738 124 L 3.9375 8.1107 121.3205 57.9984 41.9404 178.8774 125 R 3.8879 8.0738 118.6999 59.6268 30.0230 178.2078 126 D 4.3460 8.0094 118.3859 57.4669 40.8320 178.6715 127 E 4.0108 8.3732 119.2905 59.5267 29.4462 179.3314 128 E 4.3637 8.7693 119.1379 59.0740 29.4250 179.6795 129 G 3.6505 7.9320 105.6693 48.0406 0.0000 175.5275 130 H 4.5694 8.2875 118.7694 58.7530 28.6940 177.7759 131 I 3.8136 8.4029 121.9787 64.6105 37.0156 177.8358 132 D 4.3632 8.3693 118.6787 57.1086 41.0665 178.1095 133 W 4.1300 8.3613 128.7253 60.4487 30.7746 177.8110 134 L 3.7238 8.2138 118.8173 57.9293 41.1645 179.2652 135 E 3.9224 8.3985 118.5895 59.7950 29.3548 179.7338 136 T 3.7785 7.8707 115.4367 66.5956 68.5375 176.5133 137 E 3.7607 7.5862 120.3029 59.3820 29.2452 179.4230 138 L 3.7552 7.6688 118.7914 57.9306 41.6752 179.4327 139 D 4.3798 8.0266 118.7137 57.2460 40.6934 178.7790 140 L 4.0057 8.0023 119.6346 57.7291 41.6396 179.4933 141 I 3.3844 7.3112 119.7270 64.5320 36.7581 178.5354 142 Q 3.9761 7.3408 116.1229 58.6679 28.5919 178.5735 143 K 4.1353 7.9744 119.0696 59.0305 32.3391 178.5060 144 M 4.3781 8.1757 114.2719 53.9816 32.3778 177.2524 145 G 4.1192 7.5484 105.1714 45.9756 0.0000 174.4935 146 L 3.9825 8.3514 120.9710 57.9838 42.1736 179.2178 147 Q 3.9857 8.0709 117.5101 59.2331 28.8453 178.5910 148 N 4.3381 8.1329 116.7636 56.4110 38.4196 176.5656 149 Y 3.9930 7.9625 119.7961 60.7691 39.1855 177.9727 150 L 4.0565 8.4966 120.1926 57.8777 41.2707 179.2412 151 Q 3.9540 8.1671 119.2268 59.0412 28.7540 177.7387 152 A 4.1635 7.6521 119.2431 53.4716 18.7275 178.2578 153 Q 4.2555 7.7162 116.1540 55.7968 29.2397 177.3101 154 I 4.2082 7.2329 111.5963 61.6228 38.2479 176.2181 155 R 4.6600 7.5567 119.6889 53.7013 32.3763 175.4816 156 E 4.1105 8.4933 119.8405 56.0439 30.4462 175.9436 157 E 4.0917 8.4710 122.1168 55.4738 30.7108 176.5492 *158 G 3.7276 8.5457 113.4300 45.9048 0.0000 172.3957 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 -0.01 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 8.83 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 8.84 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 3.88 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 1.13 0.00 0.00 1.20 0.00 0.00 8 I 7.78 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 0.65 0.92 0.00 0.00 9 N 8.14 4.24 0.00 2.66 2.66 0.00 0.00 7.07 7.22 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 10 Y 7.93 4.16 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 8.52 3.92 0.00 2.05 1.79 1.12 0.81 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 8.47 4.37 0.00 2.89 2.81 0.00 0.00 6.65 9.04 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 13 K 8.13 3.87 0.00 1.85 1.98 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 7.99 3.79 0.00 0.95 1.11 0.96 0.64 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 7.64 3.95 0.00 1.67 1.82 1.05 1.11 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 8.18 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 4.34 0.00 2.96 2.91 0.00 0.00 7.04 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.25 4.10 0.00 2.27 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 2.91 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 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 21 A 8.10 3.87 1.46 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 0.00 0.00 22 I 8.22 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 0.85 0.91 0.00 0.00 23 N 7.87 4.39 0.00 2.91 2.86 0.00 0.00 6.76 7.45 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 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 3.21 3.06 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 0.00 0.00 0.00 26 F 8.44 3.89 0.00 3.43 3.09 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 27 L 8.17 3.96 0.00 1.99 1.60 0.89 0.90 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 3.49 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 8.22 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 7.69 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 7.79 3.39 0.00 0.80 1.49 0.00 0.00 0.00 0.00 0.00 1.67 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 7.43 4.57 0.00 3.30 3.23 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 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 1.42 7.81 34 N 8.03 4.22 0.00 2.66 2.68 0.00 0.00 7.36 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 35 W 7.93 4.77 0.00 3.75 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 8.19 4.68 0.00 2.18 1.67 1.02 1.18 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 3.81 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 8.23 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 1.04 1.07 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.19 4.53 0.00 3.11 3.03 0.00 0.00 7.19 8.45 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 42 D 8.04 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 1.65 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 -0.68 0.00 0.00 0.82 0.00 0.00 44 E 8.29 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 8.18 3.88 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 3.32 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 8.14 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 7.77 4.10 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.35 3.54 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.78 0.00 0.00 50 D 7.86 4.20 0.00 2.62 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 51 E 8.10 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 2.21 0.00 0.00 0.00 0.00 0.00 2.08 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 8.08 3.91 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 3.46 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 8.49 4.26 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 8.35 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 4.29 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 8.17 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 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 8.33 3.76 2.07 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 1.59 0.60 0.99 0.00 0.00 63 L 8.06 4.02 0.00 2.10 1.79 0.99 0.93 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 8.21 4.35 0.00 2.96 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 8.03 4.60 0.00 1.88 1.63 1.04 0.57 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 8.00 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 8.27 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 68 L 8.01 4.55 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 7.07 7.96 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 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 8.53 4.10 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 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 8.64 4.83 0.00 2.62 2.69 0.00 0.00 7.21 7.69 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 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 1.99 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 2.23 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 1.28 0.00 0.00 1.27 0.00 0.00 84 E 8.19 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 2.28 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 1.83 0.00 0.00 0.00 0.00 0.00 0.80 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 2.07 1.77 1.27 0.76 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 2.00 1.99 0.00 3.12 0.00 0.00 3.09 7.58 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 4.14 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 8.17 4.20 0.00 3.12 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 91 L 8.14 3.98 0.00 1.91 1.89 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.38 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 0.93 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 8.40 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 8.18 4.02 0.00 2.05 1.74 0.96 1.05 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 8.45 4.07 1.42 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 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 8.13 4.41 0.00 3.02 2.90 0.00 0.00 7.10 6.76 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 0.00 101 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 3.89 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 8.07 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 2.82 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 8.01 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 1.46 0.91 0.00 0.00 106 G 7.67 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 4.09 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 3.82 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 0.00 109 D 7.78 4.12 0.00 2.81 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 7.48 4.08 0.00 3.98 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 3.94 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 0.48 0.00 0.00 0.67 0.00 0.00 112 H 7.01 2.77 0.00 3.15 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.43 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 4.37 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 4.05 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 0.00 117 R 7.97 3.88 0.00 1.91 2.19 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 8.19 3.95 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 2.07 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 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.82 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 1.09 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.74 0.00 0.00 124 L 8.11 3.94 0.00 1.86 1.89 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 8.07 3.89 0.00 2.04 2.11 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 8.01 4.35 0.00 3.02 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.37 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 8.77 4.36 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 2.53 0.00 129 G 7.93 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 8.40 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 4.36 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 8.36 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 8.21 3.72 0.00 2.02 1.74 1.34 1.32 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 8.40 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 3.78 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 7.59 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 7.67 3.76 0.00 1.71 1.61 0.88 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 8.03 4.38 0.00 2.78 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 8.00 4.01 0.00 1.87 1.85 0.98 0.70 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 0.00 141 I 7.31 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 -0.16 0.08 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 7.97 4.14 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 144 M 8.18 4.38 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.18 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 7.55 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 3.98 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 3.99 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 3.02 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.17 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 2.37 0.00 152 A 7.65 4.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.23 4.21 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 1.45 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 8.55 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.