NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1596 8.1627 120.2747 54.7083 33.1564 173.9796 2 K 4.0311 8.4781 128.4174 56.0972 32.6200 175.1850 3 G 3.9871 8.8491 116.1016 44.9824 0.0000 171.8622 4 D 4.5702 8.4777 119.7051 54.3627 41.9692 177.1570 5 T 3.8752 8.8314 122.7501 66.7984 68.5782 176.7146 6 K 3.8809 8.1704 120.9583 58.9555 32.2317 178.9135 7 V 3.8950 8.3351 118.9062 66.1812 31.4306 177.8056 8 I 3.7472 7.7819 119.4725 64.6836 36.9962 178.0612 9 N 4.2366 8.1381 116.9450 56.5016 38.2646 176.9504 10 Y 4.1602 7.9325 117.9794 61.2337 38.0036 178.7940 11 L 3.9218 8.5216 120.1289 58.0136 41.6544 179.4679 12 N 4.3931 8.4816 116.6579 55.9257 38.4109 177.4955 13 K 3.8661 8.1064 121.1746 59.3971 32.3422 178.9669 14 L 3.7906 7.9886 119.5886 57.4499 41.3725 178.8873 15 L 3.9436 7.6423 120.8615 58.3445 42.0255 179.2027 16 G 3.6680 8.1550 105.4192 47.9541 0.0000 175.1794 17 N 4.3363 8.0940 118.7337 56.2303 38.5785 177.2697 18 E 4.1034 8.2458 119.7835 59.5254 29.3050 179.4798 19 L 4.0284 8.2365 119.1731 57.6382 41.6212 179.7400 20 V 3.5778 7.7569 117.6540 66.0613 31.4553 177.9374 21 A 3.8733 8.0761 120.4283 55.0465 18.1805 179.4203 22 I 3.7638 8.2382 118.7470 64.9233 37.2679 178.4034 23 N 4.3938 7.8775 116.7637 56.2838 38.2933 177.4583 24 Q 3.8079 8.2237 120.9695 59.4355 29.1185 177.6731 25 Y 4.3311 8.1134 118.0593 61.0788 37.9874 178.6275 26 F 3.8844 8.4763 121.5598 61.0416 39.5059 176.8374 27 L 3.9577 8.1717 120.0032 58.6206 41.8253 178.4966 28 H 3.7653 8.3234 115.9372 58.7755 28.5730 177.3020 29 A 4.1705 8.1945 122.5998 55.6756 18.1639 179.9074 30 R 3.8129 7.6926 115.4251 58.7618 30.1374 179.2344 31 M 3.3952 7.8048 119.1463 58.0935 31.7620 178.4798 32 F 4.5712 7.4525 117.9201 60.5650 39.1117 177.5592 33 K 3.8859 8.2767 119.2540 59.6110 31.7817 177.9487 34 N 4.2254 8.0482 116.1396 56.7749 38.9130 176.2775 35 W 4.7729 7.9294 117.1091 57.6252 29.4069 177.2498 36 G 4.0022 8.3638 108.3531 45.8260 0.0000 174.0981 37 L 4.6755 8.1757 122.4537 52.5485 38.2485 176.7852 38 K 3.8012 7.9131 123.8671 59.8962 32.6351 177.5468 39 R 3.8995 8.2280 118.7988 59.3827 29.9668 178.4940 40 L 4.1059 7.7727 118.4393 57.3811 41.6161 178.5505 41 N 4.5359 8.2014 117.1135 56.9570 38.9276 176.6365 42 D 4.3084 8.0461 120.1175 57.3763 40.9240 179.0714 43 V 3.2706 7.5247 118.1677 65.9543 31.4477 178.0030 44 E 3.9098 8.2915 118.4156 59.2995 29.3141 178.6770 45 Y 3.8845 8.1844 119.7634 60.9033 38.8561 177.5637 46 H 3.9112 8.1408 118.9986 59.3113 29.9164 176.8643 47 E 3.4081 8.1313 120.6332 59.1846 29.0561 179.2181 48 S 4.1047 7.7547 112.9892 61.6025 62.4545 176.3676 49 I 3.5448 7.3604 122.2495 64.2868 36.7742 177.9866 50 D 4.1998 7.8687 119.7412 57.6071 40.6329 178.9598 51 E 4.1771 8.0790 118.8017 59.4848 29.3401 179.2792 52 M 4.0660 8.0280 118.8963 58.3692 32.0210 178.8444 53 K 3.9033 8.0685 118.5266 59.7666 32.1902 179.1129 54 H 4.1141 8.2339 116.1258 58.7921 28.5762 177.6452 55 A 4.2531 8.5144 122.9942 55.2948 18.1714 179.0262 56 D 4.2936 8.3648 116.6704 57.6839 41.2872 178.7507 57 R 3.8569 7.9077 118.3886 59.4056 30.0476 178.6348 58 Y 4.2764 7.7718 116.3750 61.1934 37.9396 178.6528 59 I 3.7580 8.1577 120.8737 64.7297 37.2867 178.4377 60 E 4.0633 8.4451 119.3512 59.1749 29.1803 179.5529 61 R 3.9989 8.1834 118.8274 59.5543 30.2775 178.3223 62 I 3.7643 8.3244 120.0220 64.6586 37.1817 178.3781 63 L 4.0184 8.0606 119.4322 57.7721 41.2566 179.2231 64 F 4.3498 8.1908 119.3824 61.3660 39.5726 176.4545 65 L 4.5809 8.0255 117.4134 53.9998 41.2586 177.1861 66 E 3.9276 8.0042 117.6702 57.3911 26.9834 174.5704 67 G 3.9384 8.2632 108.7611 44.1145 0.0000 173.6842 68 L 4.5488 8.0108 119.0433 51.9647 42.2167 175.1244 69 P 4.3766 0.0000 0.0000 62.6182 31.7572 176.0140 70 N 4.6872 9.5492 122.2574 52.4695 38.5388 174.1284 71 L 4.6181 8.2830 124.2151 54.5262 42.6193 177.5547 72 Q 4.0939 8.5232 121.7076 58.2493 29.2966 175.8834 73 D 4.6610 8.0859 117.1853 52.8418 41.8672 175.2688 74 L 4.5688 8.3084 125.6115 52.7922 44.0192 176.4825 75 G 3.8293 8.4277 115.5581 44.6338 0.0000 171.7459 76 K 4.1209 8.3035 120.6514 55.7931 32.5820 176.6543 77 L 4.2122 8.3093 126.4300 54.3708 42.3830 176.4081 78 N 4.8310 8.6460 120.7234 51.6984 39.5248 174.4407 79 I 3.7846 8.3330 125.2343 64.0599 37.6563 178.1325 80 G 4.4217 8.2253 102.7337 45.4297 0.0000 172.7295 81 E 4.7760 8.7635 117.0117 55.5945 31.9516 176.1965 82 D 4.9757 7.7128 117.7479 50.2710 44.0038 176.1166 83 V 4.0493 8.5034 119.2470 66.6204 31.3378 177.6790 84 E 3.8647 8.1916 118.0989 59.3386 29.4402 178.1767 85 E 3.9512 8.4221 119.3739 59.4655 29.6807 178.6969 86 M 4.2175 8.3542 117.1833 58.3275 31.3465 178.5925 87 L 4.1667 8.3325 120.2303 57.7177 41.7951 179.7046 88 R 3.9632 8.3199 118.2496 59.1943 29.9444 179.1032 89 S 4.1438 8.1484 113.0650 61.3674 62.3678 175.8889 90 D 4.2045 8.1861 121.6883 57.1476 40.5256 178.4447 91 L 3.9791 8.1478 120.4863 58.2661 42.1779 178.6397 92 A 3.9909 8.3978 121.0480 55.3260 18.2747 179.3849 93 L 3.9173 7.9313 118.5537 58.2749 42.0784 179.0097 94 E 4.0715 8.4124 118.6149 59.4526 29.4268 179.3486 95 L 4.0225 8.1754 119.0366 58.0011 41.7132 179.3622 96 D 4.4891 8.2920 118.9611 57.3535 40.7679 179.1473 97 G 3.6431 8.3374 106.0753 47.6324 0.0000 175.7066 98 A 4.0726 8.4318 123.4540 54.6348 18.4989 179.5034 99 K 3.8527 8.0618 118.2407 59.9501 32.2766 178.7436 100 N 4.4136 8.1456 116.5599 56.2524 38.3397 177.3581 101 L 3.9997 8.0531 120.3443 57.9430 41.8627 179.7978 102 R 3.8927 8.1063 117.9078 59.0816 29.9702 178.7272 103 E 3.8480 8.0611 118.3716 59.2949 29.6306 178.7084 104 A 2.8100 7.7465 120.7063 54.8451 18.2438 179.6650 105 I 3.7215 8.0219 118.7037 64.3942 36.9410 178.8814 106 G 3.6051 7.6834 105.2321 47.9200 0.0000 174.8777 107 Y 4.0981 7.9270 121.8207 60.2877 38.7986 177.4163 108 A 3.8198 8.2122 122.1054 55.3147 18.3767 179.0224 109 D 4.1342 7.7911 116.2939 57.5473 41.1032 178.7337 110 S 4.0898 7.4903 113.0347 60.3876 63.1103 175.7499 111 V 3.9455 6.8220 113.2697 60.4834 31.6467 175.4146 112 H 2.7444 7.0169 114.2247 56.7724 26.7502 176.2957 113 D 4.4987 7.4232 121.6002 53.6788 38.4243 175.8826 114 Y 4.3810 7.6121 121.8188 60.0156 38.4101 177.4733 115 V 3.7277 7.8584 120.1316 64.6332 31.7843 178.3708 116 S 4.1409 8.2237 115.3758 61.3453 62.6178 176.5061 117 R 3.8810 7.9730 121.2498 59.5718 29.9095 177.9233 118 D 4.3063 8.3512 117.8061 57.5433 41.2288 177.7054 119 M 3.9448 8.2001 118.7191 59.2125 32.2087 178.2080 120 M 4.1458 8.2989 118.6896 58.3347 32.0722 178.8996 121 I 3.7566 8.1293 120.4932 64.2080 37.3114 178.2309 122 E 3.9609 8.0971 119.3241 59.5242 29.2390 179.5018 123 I 3.5158 7.6857 119.7938 64.1809 37.0336 178.2679 124 L 3.9391 8.0962 121.2967 58.0089 41.9834 178.8999 125 R 3.8847 8.0578 118.7009 59.6089 30.0299 178.2129 126 D 4.3496 8.0082 118.3993 57.4666 40.8375 178.6746 127 E 4.0101 8.3311 119.2045 59.5229 29.4512 179.3285 128 E 4.3722 8.7514 119.1225 59.0683 29.4241 179.6728 129 G 3.6552 7.9439 105.6527 48.0591 0.0000 175.5188 130 H 4.5695 8.2881 118.7917 58.7332 28.6883 177.7798 131 I 3.8106 8.4330 121.9519 64.6108 37.0112 177.8317 132 D 4.3635 8.3595 118.6684 57.1109 41.0642 178.1030 133 W 4.1309 8.3567 128.7218 60.4526 30.7868 177.8028 134 L 3.7214 8.2109 118.8155 57.9200 41.1610 179.2708 135 E 3.9273 8.3989 118.5861 59.7850 29.3403 179.7074 136 T 3.7752 7.8764 115.4426 66.6095 68.5442 176.4821 137 E 3.7601 7.5818 120.2862 59.3898 29.1833 179.4380 138 L 3.7590 7.6454 118.7639 57.9226 41.6712 179.4326 139 D 4.3735 8.0248 118.7284 57.2444 40.6908 178.7680 140 L 4.0063 8.0303 119.6808 57.7313 41.6289 179.4932 141 I 3.3828 7.3233 119.7187 64.5360 36.7600 178.5313 142 Q 3.9741 7.3433 116.1307 58.6729 28.5947 178.5761 143 K 4.1343 7.9647 119.0562 59.0523 32.3366 178.5195 144 M 4.3734 8.1811 114.2967 54.0046 32.3680 177.2614 145 G 4.1193 7.5527 105.1856 45.9806 0.0000 174.4902 146 L 3.9820 8.3477 120.9777 57.9769 42.1747 179.2126 147 Q 3.9838 8.0722 117.5187 59.2374 28.8419 178.6085 148 N 4.3408 8.1290 116.7665 56.3957 38.4220 176.5671 149 Y 3.9965 7.9672 119.8291 60.7788 39.1836 177.9771 150 L 4.0598 8.5263 120.1675 57.8762 41.2957 179.2419 151 Q 3.9554 8.1700 119.2297 59.0382 28.7528 177.7396 152 A 4.1689 7.6554 119.2597 53.4738 18.7247 178.2549 153 Q 4.2585 7.7180 116.1472 55.8007 29.2576 177.3251 154 I 4.1971 7.2311 111.5366 61.6436 38.2378 176.2226 155 R 4.6598 7.5564 119.6833 53.6983 32.3741 175.4867 156 E 4.1100 8.4943 119.8318 56.0512 30.4434 175.9344 157 E 4.0979 8.4687 122.0813 55.4536 30.7199 176.5410 *158 G 3.7276 8.5450 113.4252 45.9048 0.0000 172.3965 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 1.37 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 8.85 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 2.63 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 8.83 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 8.17 3.88 0.00 1.70 1.84 0.00 1.38 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 8.34 3.89 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 1.10 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 0.66 0.92 0.00 0.00 9 N 8.14 4.24 0.00 2.66 2.66 0.00 0.00 7.07 7.28 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 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 0.83 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 4.39 0.00 2.89 2.82 0.00 0.00 6.66 8.87 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 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 7.99 3.79 0.00 0.94 1.11 0.97 0.66 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 3.94 0.00 1.67 1.82 1.01 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 8.16 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 4.34 0.00 2.96 2.91 0.00 0.00 7.05 7.81 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 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 8.24 4.03 0.00 1.82 1.72 0.92 1.06 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 2.21 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 1.02 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 8.24 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 0.96 0.91 0.00 0.00 23 N 7.88 4.39 0.00 2.90 2.86 0.00 0.00 6.76 7.56 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 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 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.11 4.33 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 8.48 3.88 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 1.98 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 8.32 3.77 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 8.19 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 1.43 1.78 0.00 31 M 7.80 3.40 0.00 0.80 1.49 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 2.42 2.17 0.00 32 F 7.45 4.57 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 8.28 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 8.05 4.23 0.00 2.65 2.68 0.00 0.00 7.36 7.56 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 35 W 7.93 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 8.18 4.68 0.00 2.18 1.67 1.07 1.25 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 8.23 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 4.11 0.00 1.67 1.03 1.06 0.21 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 8.20 4.54 0.00 3.11 3.02 0.00 0.00 7.18 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 8.05 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 -0.79 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 2.64 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 8.14 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 1.87 1.79 0.00 48 S 7.75 4.10 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 0.49 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 8.08 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 2.70 2.82 0.00 52 M 8.03 4.07 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.04 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 8.07 3.90 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 8.23 4.11 0.00 3.55 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 8.51 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 3.04 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 7.77 4.28 0.00 3.25 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 8.16 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 0.99 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 8.32 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 0.61 0.96 0.00 0.00 63 L 8.06 4.02 0.00 2.10 1.79 0.95 0.95 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 8.19 4.35 0.00 2.97 3.33 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 65 L 8.03 4.58 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 8.00 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 8.26 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 3.80 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 9.55 4.69 0.00 2.60 2.72 0.00 0.00 7.08 8.04 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 71 L 8.28 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 4.09 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 8.09 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 1.11 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 7.55 0.00 0.00 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 8.33 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 8.23 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 2.23 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 1.29 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 2.29 0.00 85 E 8.42 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 1.83 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 2.85 3.05 0.00 87 L 8.33 4.17 0.00 2.07 1.77 1.27 0.78 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 4.14 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 8.19 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 8.15 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 8.40 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 7.93 3.92 0.00 1.88 1.82 0.91 0.91 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 8.41 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 1.01 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 8.29 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 8.43 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.06 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 6.77 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 0.00 101 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 8.11 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 8.06 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 7.75 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 8.02 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 1.50 0.92 0.00 0.00 106 G 7.68 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.13 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 8.21 3.82 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 0.00 109 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 3.98 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 3.95 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 0.65 0.00 0.00 112 H 7.02 2.74 0.00 3.15 3.22 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 7.61 4.38 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 0.89 0.00 0.00 0.96 0.00 0.00 116 S 8.22 4.14 0.00 4.00 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 3.35 0.00 0.00 3.25 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 8.35 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 8.20 3.94 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 8.30 4.15 0.00 2.15 2.32 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 2.90 2.82 0.00 121 I 8.13 3.76 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 1.02 0.91 0.00 0.00 122 E 8.10 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 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.73 0.00 0.00 124 L 8.10 3.94 0.00 1.87 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 2.11 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 1.68 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 8.33 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 2.53 0.00 129 G 7.94 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 0.00 130 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 8.43 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 0.92 0.97 0.00 0.00 132 D 8.36 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 3.55 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 1.36 1.35 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 3.93 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 2.55 0.00 136 T 7.88 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 1.64 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 7.65 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 8.02 4.37 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 8.03 4.01 0.00 1.87 1.85 1.02 0.79 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 3.38 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 -0.14 0.03 0.71 0.00 0.00 142 Q 7.34 3.97 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 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 144 M 8.18 4.37 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 7.55 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 3.98 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 6.68 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 7.97 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 8.53 4.06 0.00 2.01 1.70 1.06 0.84 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 3.96 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 7.66 4.17 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 2.05 2.14 0.00 154 I 7.23 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 1.50 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 4.10 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.