NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1440 8.1627 120.2817 54.8241 33.2518 173.9000 2 K 3.9532 8.4432 128.0427 55.7720 32.4961 175.1103 3 G 3.9488 8.7354 115.9561 45.2473 0.0000 171.5159 4 D 4.5738 8.5048 119.7231 54.4153 42.0501 177.2272 5 T 3.8828 8.7942 122.6151 66.7662 68.6120 176.8648 6 K 3.8524 8.1697 121.0324 59.0729 32.2079 178.8838 7 V 3.9023 8.5961 118.9883 66.1824 31.4511 177.8764 8 I 3.7498 7.6884 119.1848 64.7014 36.8918 178.1041 9 N 4.2623 8.2164 117.0312 56.4321 38.2971 177.0639 10 Y 4.0920 7.9816 118.0377 61.1470 37.9876 178.6392 11 L 3.9242 8.4885 120.2508 57.9478 41.6332 179.4405 12 N 4.3447 8.5394 116.8212 56.0267 38.4411 177.4700 13 K 3.8856 8.1816 121.3697 59.2842 32.3003 178.9241 14 L 3.7982 8.1579 119.7273 57.5798 41.3890 178.9638 15 L 4.0082 7.7542 120.7687 58.3356 42.0419 179.2446 16 G 3.6349 8.1942 105.6167 47.9648 0.0000 175.3650 17 N 4.3901 8.0322 118.6901 56.1617 38.5797 177.4289 18 E 4.1092 8.2479 120.0088 59.3774 29.4530 179.3213 19 L 4.0475 8.2926 119.4160 57.6823 41.5855 179.7305 20 V 3.5655 7.7439 117.5447 66.0672 31.4934 177.9359 21 A 3.8273 8.1028 120.4130 55.0250 18.1954 179.3623 22 I 3.7602 8.3306 118.7335 64.9748 37.2869 178.4007 23 N 4.4000 7.9209 117.0429 56.3802 38.4116 177.4404 24 Q 3.8517 8.2895 121.1871 59.3204 29.0903 177.8397 25 Y 4.3655 8.3841 118.3203 60.9319 37.8921 178.2150 26 F 3.8283 8.5185 121.6620 61.0556 39.5257 176.8468 27 L 3.9464 8.1421 119.9451 58.5507 41.8525 178.3981 28 H 3.7781 8.1463 115.7732 58.8421 28.6084 177.2352 29 A 4.1395 8.2998 122.6459 55.6691 18.1363 179.8883 30 R 3.8336 7.7944 115.5173 58.6158 30.0680 179.2457 31 M 3.4226 7.8875 119.4615 58.1201 31.8208 178.4294 32 F 4.5598 7.3934 117.8847 60.5969 39.1348 177.5607 33 K 3.8939 8.2566 119.2343 59.5775 31.7573 178.1471 34 N 4.2774 7.9250 115.9246 56.5969 39.0151 176.4622 35 W 4.7414 7.9461 117.7118 57.6327 29.3306 177.2158 36 G 3.9803 8.3374 108.0352 46.2187 0.0000 174.2662 37 L 4.6741 8.0745 122.0151 52.6837 38.2436 176.9834 38 K 3.8228 7.9518 123.0716 59.8990 32.6447 177.5471 39 R 3.9409 8.3115 118.9407 59.1354 29.9101 178.3421 40 L 4.1032 7.8901 118.8332 57.0518 41.5246 178.8147 41 N 4.5287 8.1542 116.8306 56.8338 39.0569 176.3869 42 D 4.3277 7.9867 120.2038 57.4077 40.9527 179.1213 43 V 3.4464 7.6755 118.3109 66.1256 31.4863 177.9945 44 E 3.9011 8.4860 118.5456 59.2614 29.2656 178.6521 45 Y 3.8557 8.1885 119.7762 61.1722 38.8179 178.1325 46 H 4.2019 8.3428 116.4795 58.3630 28.6961 177.5073 47 E 3.7155 7.8012 120.7542 58.5017 29.2180 178.7945 48 S 4.1125 7.8740 113.5704 61.5868 62.4292 176.2669 49 I 3.5785 7.3309 122.2778 64.3434 36.7779 177.9245 50 D 4.2670 7.6852 119.4076 57.7307 40.6796 179.0645 51 E 4.1977 8.1851 118.6425 59.4261 29.3305 179.3685 52 M 4.0724 8.0425 118.9908 58.3796 32.0263 178.8341 53 K 3.9303 8.1637 118.6509 59.6866 32.1871 179.1390 54 H 4.0920 8.1309 116.2019 58.7807 28.5958 177.4802 55 A 4.2328 8.4357 122.9756 55.4071 18.1341 179.0155 56 D 4.3014 8.2992 116.4245 57.7611 41.2705 178.7877 57 R 3.8704 7.9133 118.3788 59.4401 30.0097 178.7263 58 Y 4.2997 7.8931 116.4702 61.1770 37.8967 178.5771 59 I 3.7995 8.2524 121.0909 64.6030 37.2051 178.4398 60 E 4.0811 8.5220 119.5653 59.1141 29.2080 179.4893 61 R 4.0172 8.0409 118.9154 59.5498 30.1866 178.3795 62 I 3.7686 8.4276 119.9614 64.6679 37.1682 178.3956 63 L 4.0223 8.0738 119.5753 57.7184 41.2076 179.3964 64 F 4.3616 8.1826 119.7681 61.2238 39.7041 176.5417 65 L 4.3864 8.2331 117.7842 54.0651 41.1219 177.1918 66 E 3.9077 7.9718 117.6245 57.4334 27.0210 174.4460 67 G 3.9699 8.1266 108.6711 44.0029 0.0000 173.6079 68 L 4.5366 8.0191 119.1368 52.0050 42.0795 175.0938 69 P 4.3967 0.0000 0.0000 62.5044 31.7892 175.9590 70 N 4.7350 9.4755 122.0806 52.3877 38.9331 173.9465 71 L 4.6345 8.3552 124.2437 54.5647 42.5316 177.3963 72 Q 4.1276 8.5215 121.8863 58.0232 29.3861 175.8567 73 D 4.6443 8.0620 117.4004 52.8840 41.7822 175.2138 74 L 4.5677 8.3129 125.8650 52.7571 43.9485 176.4283 75 G 3.8069 8.4295 115.4181 44.6049 0.0000 171.9040 76 K 4.0791 8.3107 120.7487 55.8218 32.3539 176.6461 77 L 4.1011 8.3395 126.7725 54.4966 42.2669 176.3091 78 N 4.8101 8.8436 120.6636 52.0017 40.1378 174.3447 79 I 3.8503 8.4971 126.4968 64.0781 37.7218 178.2469 80 G 4.1649 8.2536 102.1988 45.8518 0.0000 172.5733 81 E 4.7879 8.5791 115.9538 55.5010 31.8973 176.3121 82 D 5.0263 7.7231 117.7304 50.3715 43.9815 175.9475 83 V 3.9958 8.5375 118.9654 66.7020 31.3200 177.4386 84 E 3.8668 8.2487 117.9026 59.5569 29.4980 178.3287 85 E 4.0032 8.5652 119.2658 59.5324 29.6642 178.6898 86 M 4.1293 8.3316 117.1676 58.2364 31.3544 178.6149 87 L 4.1377 8.5042 120.5585 57.6186 41.7454 179.4003 88 R 3.8850 8.5132 119.1555 59.4240 30.0618 178.5780 89 S 4.1022 8.1902 113.0857 61.3124 62.4158 175.8057 90 D 4.2316 8.1632 121.6873 57.1418 40.5763 178.4354 91 L 3.9916 8.2508 120.7091 58.2989 42.1597 178.8388 92 A 4.0174 8.2238 120.7729 55.1752 18.2544 179.4062 93 L 3.9403 7.9041 118.6079 58.2384 42.1131 179.0784 94 E 4.0639 8.3462 118.6385 59.3534 29.5466 179.1955 95 L 4.0376 8.1017 119.0436 58.1182 41.8341 179.4510 96 D 4.5265 8.3477 118.8593 57.1727 40.7012 179.0844 97 G 3.6490 8.3332 106.2891 47.5327 0.0000 175.7632 98 A 4.0509 8.5313 123.6024 54.6397 18.4659 179.5161 99 K 3.8378 7.9779 117.8763 59.9570 32.2904 178.6850 100 N 4.3851 8.0608 116.2655 56.3584 38.4340 177.3575 101 L 3.9863 8.1214 120.3016 57.8943 41.5933 179.8021 102 R 3.9055 8.2362 118.1467 59.1167 30.0865 178.7667 103 E 3.8404 8.0793 118.5398 59.2947 29.6218 178.7576 104 A 2.8670 7.8300 120.8267 54.7356 18.4193 179.6339 105 I 3.7050 7.8850 118.5540 64.4671 36.9481 178.8829 106 G 3.6002 7.5805 105.3711 47.8919 0.0000 174.8849 107 Y 4.1704 7.9638 122.5668 59.7313 38.8659 177.3685 108 A 3.8239 8.1913 121.9999 55.2515 18.4483 179.0523 109 D 4.0800 7.8933 116.3497 57.4265 41.3240 178.5485 110 S 4.0690 7.7153 113.3885 60.1518 63.4786 175.6227 111 V 3.9875 7.0449 112.4833 61.0422 31.3986 175.7739 112 H 2.8415 7.2662 115.2563 56.6194 26.9824 176.4565 113 D 4.5431 7.4035 121.1268 53.5483 37.5176 176.3100 114 Y 4.3365 7.4231 121.3266 60.6453 38.4097 178.2931 115 V 3.7324 7.8776 119.9706 64.7069 31.8529 178.3166 116 S 4.1589 8.3379 115.8049 61.4669 62.6056 176.7011 117 R 3.9022 8.1102 121.1686 59.4748 29.9791 178.1059 118 D 4.3031 8.3079 117.9589 57.5263 41.3111 177.7039 119 M 3.9934 8.3027 118.9565 59.1192 32.1270 178.1757 120 M 4.1495 8.1923 118.7235 58.3724 32.1070 178.8376 121 I 3.7198 8.1717 120.4667 64.2658 37.3473 178.2061 122 E 3.9629 8.0694 119.1063 59.5862 29.2311 179.5813 123 I 3.5666 7.5632 119.6264 64.1122 37.1327 178.1474 124 L 3.9281 8.1423 121.4462 58.1699 42.0016 179.0122 125 R 3.9118 8.0377 118.5716 59.6303 30.0888 178.2587 126 D 4.3679 8.0313 118.3701 57.3440 40.7648 178.6873 127 E 3.9496 8.3424 119.4257 59.3359 29.4795 178.9188 128 E 4.2014 8.8428 119.9604 59.1260 29.6227 179.1577 129 G 3.6479 7.9519 105.5451 48.0782 0.0000 175.4625 130 H 4.5705 8.1005 118.6149 58.6690 28.6735 177.7743 131 I 3.7988 8.3652 122.0710 64.5791 36.9938 177.7536 132 D 4.3561 8.2980 118.6214 57.3596 41.0199 178.0122 133 F 4.1938 8.3427 120.9184 61.3928 39.3692 176.9979 134 L 3.7307 8.2175 118.3811 57.8515 41.4971 179.2760 135 E 3.9140 8.3581 118.5738 59.7671 29.3454 179.6800 136 T 3.8045 7.9267 115.4581 66.6326 68.5575 176.3699 137 E 3.8681 7.7923 120.3467 59.5586 29.1436 179.5088 138 L 3.8001 7.8855 118.8647 57.9413 41.5611 179.4451 139 D 4.3834 8.1642 118.7559 57.1956 40.6324 178.7498 140 L 3.9742 8.0614 119.7049 57.7938 41.6772 179.4046 141 I 3.3958 7.4583 119.6801 64.5985 36.7570 178.5150 142 Q 3.9755 7.3733 116.1680 58.7816 28.6413 178.5029 143 K 4.1503 8.2447 119.2598 58.8100 32.2636 178.3955 144 M 4.4178 8.3334 114.6210 53.8724 32.5484 177.1186 145 G 4.1222 7.5715 105.7324 46.0167 0.0000 174.4238 146 L 3.9662 8.4266 121.6417 58.0383 42.1532 179.3462 147 Q 3.9996 8.0794 117.4377 59.3275 28.8768 178.6903 148 N 4.3781 8.1421 116.7933 56.3081 38.3796 176.7341 149 Y 3.9984 8.0188 120.2417 60.5966 39.1477 177.7873 150 L 4.0602 8.4193 120.3162 57.9538 41.6594 179.2343 151 Q 3.8916 8.1018 119.1695 59.1055 28.7223 177.8319 152 A 4.1184 7.5226 119.1980 53.5401 18.7083 178.2925 153 Q 4.2147 7.8049 116.0177 55.8562 29.0587 177.7216 154 I 3.9196 7.2242 121.0820 63.0989 37.4079 176.6002 155 R 4.6329 7.5178 117.4832 53.8927 31.9688 175.9174 156 E 4.1093 8.4090 119.1224 56.0204 30.4620 175.8204 157 E 4.0987 8.5016 121.8870 55.2599 30.4835 176.5243 *158 G 3.7274 8.5990 114.1563 45.8874 0.0000 172.1688 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 4.14 0.00 1.50 1.80 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 2 K 8.44 3.95 0.00 1.84 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.74 3.95 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 0.00 0.00 0.00 4 D 8.50 4.57 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.79 3.88 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.71 1.93 0.00 1.44 0.00 0.00 1.07 0.00 0.00 2.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.71 0.99 7.81 7 V 8.60 3.90 2.37 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 1.13 0.00 0.00 1.21 0.00 0.00 8 I 7.69 3.75 2.04 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 0.56 0.91 0.00 0.00 9 N 8.22 4.26 0.00 2.58 2.67 0.00 0.00 7.07 6.87 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 10 Y 7.98 4.09 0.00 3.23 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 8.49 3.92 0.00 2.01 1.77 1.09 0.80 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 12 N 8.54 4.34 0.00 2.86 2.82 0.00 0.00 6.67 7.88 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 13 K 8.18 3.89 0.00 1.74 2.01 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.16 3.80 0.00 0.94 1.15 0.92 0.46 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 15 L 7.75 4.01 0.00 1.69 1.85 1.02 1.02 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 16 G 8.19 3.63 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 0.00 0.00 0.00 17 N 8.03 4.39 0.00 2.97 2.91 0.00 0.00 7.03 7.68 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 18 E 8.25 4.11 0.00 2.26 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 0.00 2.77 2.89 0.00 19 L 8.29 4.05 0.00 1.82 1.72 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.74 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 1.05 0.00 0.00 1.00 0.00 0.00 21 A 8.10 3.83 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 8.33 3.76 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.91 0.00 0.00 23 N 7.92 4.40 0.00 2.84 2.86 0.00 0.00 6.76 7.60 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 24 Q 8.29 3.85 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 25 Y 8.38 4.37 0.00 3.19 3.02 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 0.00 0.00 0.00 26 F 8.52 3.83 0.00 3.42 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 27 L 8.14 3.95 0.00 1.96 1.59 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.15 3.78 0.00 3.50 3.28 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 8.30 4.14 1.32 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 0.00 0.00 30 R 7.79 3.83 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.76 0.00 31 M 7.89 3.42 0.00 0.85 1.51 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 F 7.39 4.56 0.00 3.29 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 8.26 3.89 0.00 2.06 1.93 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 7.92 4.28 0.00 2.68 2.68 0.00 0.00 7.34 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.95 4.74 0.00 3.72 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 8.34 3.98 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 0.00 0.00 0.00 37 L 8.07 4.67 0.00 2.17 1.65 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 0.00 2.02 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.31 3.94 0.00 2.08 1.96 0.00 3.47 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 40 L 7.89 4.10 0.00 1.66 1.04 1.02 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.15 4.53 0.00 3.09 3.01 0.00 0.00 7.24 8.49 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 42 D 7.99 4.33 0.00 2.89 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 43 V 7.68 3.45 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 -0.07 0.00 0.00 0.86 0.00 0.00 44 E 8.49 3.90 0.00 2.27 2.34 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 2.65 3.08 0.00 45 Y 8.19 3.86 0.00 2.94 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 46 H 8.34 4.20 0.00 3.28 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.80 3.72 0.00 1.21 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 1.76 1.91 0.00 48 S 7.87 4.11 0.00 4.02 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 49 I 7.33 3.58 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.85 0.00 0.00 50 D 7.69 4.27 0.00 2.77 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 51 E 8.19 4.20 0.00 2.20 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 0.00 2.74 2.82 0.00 52 M 8.04 4.07 0.00 2.05 2.23 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 2.80 2.56 0.00 53 K 8.16 3.93 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.65 7.81 54 H 8.13 4.09 0.00 3.53 3.34 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 8.44 4.23 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 8.30 4.30 0.00 2.90 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 57 R 7.91 3.87 0.00 1.83 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 58 Y 7.89 4.30 0.00 3.23 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 59 I 8.25 3.80 2.06 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 0.86 0.95 0.00 0.00 60 E 8.52 4.08 0.00 2.03 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 2.50 0.00 61 R 8.04 4.02 0.00 2.14 2.22 0.00 3.37 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.43 3.77 1.94 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 1.58 0.78 0.99 0.00 0.00 63 L 8.07 4.02 0.00 2.11 1.80 0.99 1.05 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 8.18 4.36 0.00 2.98 3.36 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 65 L 8.23 4.39 0.00 1.69 1.62 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 3.91 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 67 G 8.13 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 0.00 0.00 0.00 68 L 8.02 4.54 0.00 1.60 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 4.40 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.48 4.74 0.00 2.58 2.79 0.00 0.00 7.07 7.64 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 71 L 8.36 4.63 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.52 4.13 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.06 4.64 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.31 4.57 0.00 1.52 1.51 0.91 1.07 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 75 G 8.43 3.81 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 0.00 0.00 0.00 76 K 8.31 4.08 0.00 1.72 1.73 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 8.34 4.10 0.00 1.64 1.55 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.84 4.81 0.00 2.61 2.69 0.00 0.00 7.20 7.42 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 79 I 8.50 3.85 1.89 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 1.34 0.92 0.92 0.00 0.00 80 G 8.25 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 0.00 0.00 0.00 81 E 8.58 4.79 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 82 D 7.72 5.03 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 8.54 4.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.24 0.00 0.00 84 E 8.25 3.87 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 85 E 8.57 4.00 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 86 M 8.33 4.13 0.00 2.31 1.76 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 3.04 0.00 87 L 8.50 4.14 0.00 2.05 1.79 1.22 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.51 3.89 0.00 2.11 1.94 0.00 3.09 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 1.63 1.63 0.00 89 S 8.19 4.10 0.00 4.04 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 90 D 8.16 4.23 0.00 3.11 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 8.25 3.99 0.00 1.80 1.88 0.97 1.09 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 8.22 4.02 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 93 L 7.90 3.94 0.00 1.89 1.80 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.35 4.06 0.00 2.27 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 2.61 2.70 0.00 95 L 8.10 4.04 0.00 2.05 1.74 0.96 0.98 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 96 D 8.35 4.53 0.00 2.85 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 8.33 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 98 A 8.53 4.05 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 7.98 3.84 0.00 2.06 2.01 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 1.50 7.81 100 N 8.06 4.39 0.00 3.00 2.91 0.00 0.00 7.13 6.20 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 0.00 101 L 8.12 3.99 0.00 1.98 1.74 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.24 3.91 0.00 1.98 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 1.97 0.00 103 E 8.08 3.84 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 104 A 7.83 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.89 3.71 1.98 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 1.17 0.91 0.00 0.00 106 G 7.58 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 7.96 4.17 0.00 3.16 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 0.00 108 A 8.19 3.82 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 0.00 109 D 7.89 4.08 0.00 2.88 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 0.00 110 S 7.72 4.07 0.00 3.94 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 0.00 111 V 7.04 3.99 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 0.40 0.00 0.00 0.68 0.00 0.00 112 H 7.27 2.84 0.00 3.18 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.40 4.54 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.34 0.00 3.11 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 7.88 3.73 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 0.95 0.00 0.00 0.98 0.00 0.00 116 S 8.34 4.16 0.00 4.21 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 8.11 3.90 0.00 1.91 2.21 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.31 4.30 0.00 2.97 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 8.30 3.99 0.00 2.23 2.03 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 2.47 2.45 0.00 120 M 8.19 4.15 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 121 I 8.17 3.72 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 0.85 0.91 0.00 0.00 122 E 8.07 3.96 0.00 2.28 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 2.32 2.35 0.00 123 I 7.56 3.57 1.92 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 1.03 0.54 0.75 0.00 0.00 124 L 8.14 3.93 0.00 1.86 1.87 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.04 3.91 0.00 2.04 2.10 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 8.03 4.37 0.00 2.99 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 8.34 3.95 0.00 2.13 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 2.61 2.51 0.00 128 E 8.84 4.20 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 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 8.10 4.57 0.00 3.53 3.59 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 8.37 3.80 2.10 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 1.49 0.85 0.96 0.00 0.00 132 D 8.30 4.36 0.00 2.96 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 0.00 133 F 8.34 4.19 0.00 3.26 3.34 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 0.00 134 L 8.22 3.73 0.00 1.94 1.72 1.27 1.13 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 0.00 135 E 8.36 3.91 0.00 2.13 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 2.50 0.00 136 T 7.93 3.80 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 1.20 0.00 0.00 137 E 7.79 3.87 0.00 1.77 1.84 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 1.47 1.77 0.00 138 L 7.89 3.80 0.00 1.72 1.63 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.16 4.38 0.00 2.78 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 0.00 140 L 8.06 3.97 0.00 1.90 1.86 1.00 0.73 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 0.00 141 I 7.46 3.40 1.73 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.04 0.72 0.00 0.00 142 Q 7.37 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 143 K 8.24 4.15 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 144 M 8.33 4.42 0.00 2.18 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 2.60 2.85 0.00 145 G 7.57 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 8.43 3.97 0.00 1.75 1.67 0.95 0.71 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 8.08 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.14 4.38 0.00 2.98 2.89 0.00 0.00 6.69 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 8.02 4.00 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 8.42 4.06 0.00 2.02 1.69 1.06 0.84 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 8.10 3.89 0.00 2.11 2.22 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 7.52 4.12 1.20 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 0.00 0.00 0.00 153 Q 7.80 4.21 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 154 I 7.22 3.92 1.97 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 1.31 0.86 0.90 0.00 0.00 155 R 7.52 4.63 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 156 E 8.41 4.11 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 2.26 2.28 0.00 157 E 8.50 4.10 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 *158 G 8.60 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.