NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1464 8.1627 120.2762 54.7750 33.2419 173.9039 2 K 3.9491 8.4646 128.1089 55.9778 32.6124 175.1407 3 G 3.9788 8.7162 116.1687 45.0106 0.0000 171.4854 4 D 4.5749 8.4811 119.5878 54.3076 41.8446 177.0199 5 T 3.8739 8.9109 122.9431 66.9042 68.5029 176.5600 6 K 3.8034 8.1667 120.8738 59.1361 32.2523 178.8298 7 V 3.8892 8.6768 119.0973 66.1874 31.3764 178.0591 8 I 3.7716 7.7674 119.2331 64.4662 36.8531 178.0394 9 N 4.2267 8.3289 117.4373 56.5414 38.3564 177.0481 10 Y 4.0878 8.0613 117.9856 61.0988 38.0001 178.4534 11 L 3.8281 8.4560 120.2534 58.0951 41.6712 179.5255 12 N 4.3784 8.4638 116.5475 55.9228 38.4085 177.5162 13 K 3.8721 8.1831 121.4031 59.4053 32.3413 178.8398 14 L 3.8450 8.1764 119.6342 57.6619 41.3887 179.0794 15 L 4.0879 7.8636 120.7042 58.2674 41.9401 179.2568 16 G 3.6195 8.2245 105.7237 47.8860 0.0000 175.3721 17 N 4.3541 8.0717 118.8507 56.2665 38.5069 177.4631 18 E 4.1573 8.4546 120.2172 59.1844 29.2089 179.3068 19 L 4.2243 8.3736 120.3796 58.3119 40.5158 179.7748 20 V 3.6417 7.8579 120.2827 64.6312 31.3970 178.1043 21 A 3.8104 8.0734 121.6184 54.7944 18.1906 179.3239 22 I 3.7411 8.2826 118.6152 65.0136 37.2542 178.4025 23 N 4.3930 7.8188 115.5788 56.3446 38.3545 177.4353 24 Q 3.8388 8.3520 121.2922 59.3161 29.1151 177.7905 25 Y 4.3679 8.4814 118.1924 60.9745 37.9015 178.3358 26 F 3.8064 8.4155 121.6470 61.0923 39.5131 176.8492 27 L 3.9663 8.1916 119.9892 58.5034 41.8070 178.4910 28 H 3.7909 8.2421 115.8050 58.7722 28.6445 177.1754 29 A 4.1640 8.3162 122.8205 55.7924 18.1013 179.9386 30 R 3.8503 7.8019 115.3234 58.6064 30.0525 179.2855 31 M 3.4172 7.7911 119.3026 58.1588 31.8243 178.3281 32 F 4.5834 7.5082 118.1951 60.7493 39.1440 177.7580 33 K 3.9337 8.2301 119.0110 59.5105 31.8000 178.2119 34 N 4.2769 7.9879 116.2659 56.5978 38.9835 176.3749 35 W 4.7526 8.0124 117.6879 57.6273 29.2418 177.2507 36 G 3.9911 8.1931 107.5346 45.9366 0.0000 175.0979 37 L 4.4822 8.1689 121.8123 52.9511 38.3688 177.2686 38 K 3.8135 7.9471 122.6331 60.0388 32.5110 177.3103 39 R 3.9682 8.1559 118.5734 59.1658 30.0684 178.4256 40 L 4.1093 7.7581 118.4225 57.3601 41.5714 178.7850 41 N 4.5397 8.1710 117.0413 56.7532 38.9396 176.5407 42 D 4.3076 8.1278 120.2643 57.4460 40.9740 179.1454 43 V 3.3352 7.6972 118.3927 66.1211 31.4585 178.0180 44 E 3.8001 8.2466 118.2724 59.1226 29.2426 178.6846 45 Y 3.8602 8.1138 119.8478 61.1469 39.0144 178.1021 46 H 4.1392 8.1408 116.6551 58.4982 28.6891 177.6202 47 E 3.6417 7.7159 120.7971 58.6766 29.1686 178.8094 48 S 4.1523 7.8826 113.4604 61.6506 62.4492 176.3421 49 I 3.5702 7.3569 122.2644 64.2274 36.8542 177.8657 50 D 4.1768 7.7154 118.5860 57.5502 41.0536 178.3641 51 E 4.2810 8.1181 120.1201 58.8667 29.2955 179.2932 52 M 4.0556 8.0573 119.1243 58.3049 32.0098 178.7145 53 K 3.8835 7.9756 118.6071 59.8097 32.1565 179.1269 54 H 4.0803 8.0525 115.8568 58.7100 28.5700 177.5928 55 A 4.2041 8.2339 122.7007 55.2877 18.1486 178.9481 56 D 4.3040 8.3282 116.6728 57.8021 41.2931 178.8839 57 R 3.8620 7.9003 118.2924 59.3771 30.0218 178.6398 58 Y 4.3673 7.8279 116.5226 61.2602 37.9189 178.7954 59 I 3.7921 8.2366 120.9818 64.6233 37.2652 178.4657 60 E 4.0811 8.5261 119.5558 59.1155 29.1274 179.5020 61 R 4.0644 8.0051 118.8919 59.4888 30.2668 178.3229 62 I 3.7609 8.4398 119.9688 64.6405 37.1245 178.4213 63 L 4.0606 8.1098 119.6205 57.7181 41.2425 179.2971 64 F 4.3680 8.1456 119.6347 61.2194 39.6695 176.4441 65 L 4.2838 8.1959 117.8052 53.8472 41.2148 177.1262 66 E 3.9047 7.9895 117.6107 57.4428 27.0936 174.4789 67 G 3.9571 8.2730 108.6882 44.0373 0.0000 173.6367 68 L 4.5408 8.0158 119.0901 52.0097 42.1145 175.1254 69 P 4.4091 0.0000 0.0000 62.5000 31.7954 176.0378 70 N 4.7174 9.4104 122.0981 52.4222 38.7441 173.9496 71 L 4.6214 8.3213 124.1753 54.5629 42.4984 177.5225 72 Q 4.1268 8.4925 121.8179 58.3117 29.3419 175.9729 73 D 4.6454 8.0476 116.7777 53.0754 41.8407 175.3374 74 L 4.5806 8.2803 125.1577 52.7424 44.1594 176.3253 75 G 3.7964 8.5096 115.1563 44.5955 0.0000 172.1817 76 K 4.0148 8.3143 120.6514 56.0722 32.2898 176.3986 77 L 4.1287 8.3308 126.7628 54.4396 42.3145 176.2210 78 N 4.8216 8.8472 120.4960 52.0664 40.4538 174.2446 79 I 3.8900 8.5604 126.7307 64.0701 37.7884 178.1011 80 G 4.1639 8.2943 102.3321 45.9332 0.0000 172.5907 81 E 4.7451 8.6979 116.5696 55.7327 31.8054 176.1870 82 D 5.0438 7.7220 117.6524 50.3177 44.0531 176.2187 83 V 4.0342 8.4744 118.6639 66.5693 31.3769 177.2904 84 E 3.8330 8.2345 118.0146 59.5233 29.4742 178.1273 85 E 4.0057 8.6346 119.3206 59.6530 29.6589 178.7406 86 M 4.2535 8.4400 117.1981 58.1904 31.4129 178.6064 87 L 4.1546 8.6695 120.4666 57.6940 41.7568 179.4148 88 R 3.9113 8.6017 119.0540 59.4121 30.0039 178.5674 89 S 4.1114 8.1375 113.1458 61.3372 62.4137 175.8066 90 D 4.2536 8.1901 121.6694 57.1524 40.5222 178.4626 91 L 4.0205 8.2486 120.6459 58.2576 42.1270 178.8504 92 A 4.0028 8.2666 120.8500 55.0917 18.2590 179.3984 93 L 3.9067 7.9193 118.7217 58.3277 42.1380 179.0692 94 E 4.0682 8.3756 118.5575 59.4171 29.5512 179.2861 95 L 4.0436 8.1769 119.0907 58.0800 41.7185 179.4307 96 D 4.5279 8.4439 118.9648 57.2010 40.6346 179.0961 97 G 3.6397 8.3235 106.2782 47.5600 0.0000 175.7045 98 A 4.0235 8.5160 123.5905 54.6806 18.4263 179.5535 99 K 3.8507 7.9584 117.7262 59.9262 32.2597 178.6516 100 N 4.3850 8.1064 116.5867 56.4468 38.3818 177.4367 101 L 3.9756 8.2535 120.4545 57.8324 41.6363 179.6403 102 R 3.9047 8.3326 118.3902 59.2721 29.9746 179.0831 103 E 3.8563 8.0444 117.4736 59.3817 29.4876 178.9934 104 A 2.7304 7.8035 120.9769 54.9559 18.4169 179.7104 105 I 3.7069 7.9122 118.3647 64.5278 36.9749 178.9566 106 G 3.6023 7.8447 106.2875 47.8473 0.0000 175.2163 107 Y 4.0366 8.2545 123.0109 59.7042 38.8393 177.3686 108 A 3.8246 8.2579 122.1294 55.3218 18.5373 179.0862 109 D 4.0954 7.9045 116.2349 57.3197 41.3976 178.4442 110 S 4.1453 7.4758 114.1748 60.1397 63.0079 175.7285 111 V 4.0259 6.7548 114.1445 60.7157 31.4642 175.8345 112 H 2.7917 6.9434 113.7219 56.6665 27.0553 176.4529 113 D 4.5402 7.3937 121.1206 53.4814 37.6239 176.2823 114 Y 4.3486 7.4182 121.3602 60.6314 38.3959 178.3460 115 V 3.7449 7.8469 119.9684 64.7857 31.8218 178.3102 116 S 4.1644 8.3946 115.9522 61.3896 62.5969 176.6863 117 R 3.8885 8.1073 121.1564 59.4905 29.9449 178.0503 118 D 4.3083 8.2821 117.7588 57.5924 41.3665 177.7839 119 M 4.0149 8.3392 118.9487 59.0727 32.1479 178.1483 120 M 4.1802 8.2606 118.8468 58.3630 32.0986 178.8589 121 I 3.7291 8.1404 120.4278 64.3295 37.2883 178.2751 122 E 3.9770 8.0635 118.9991 59.3934 29.2881 179.4739 123 I 3.4835 7.5981 119.5356 64.2653 37.1584 178.1412 124 L 3.9694 8.1179 121.3084 58.2106 41.9619 178.9776 125 R 3.9408 8.0734 118.6063 59.5965 29.9897 178.3051 126 D 4.3633 8.0106 118.6420 57.1555 40.7631 178.6963 127 E 3.9172 8.1874 119.2750 59.3675 29.4803 178.6682 128 E 4.1417 8.7155 119.9615 59.3258 29.5490 179.1837 129 G 3.6425 7.9496 105.2780 48.2122 0.0000 175.3671 130 H 4.4356 8.0865 119.0611 58.6039 28.6777 177.7917 131 I 3.8124 8.4212 122.0158 64.5356 37.0010 177.7377 132 D 4.3723 8.4277 118.8271 57.1921 40.9938 178.2058 133 W 4.1244 8.3471 128.6145 60.5060 30.7619 177.7950 134 L 3.7855 8.5708 119.2325 57.8996 41.0976 179.3624 135 E 3.9211 8.3735 118.4589 59.7231 29.3137 179.6557 136 T 3.7702 7.8204 115.5478 66.5429 68.5371 176.4336 137 E 3.7335 7.6754 120.4725 59.5182 29.1776 179.5015 138 L 3.7869 7.7401 118.7265 57.9195 41.6168 179.4532 139 D 4.3885 8.1800 118.8452 57.1049 40.6366 178.7445 140 L 3.9906 8.0485 120.0118 57.7198 41.7125 179.4610 141 I 3.3833 7.4169 119.7279 64.4952 36.7405 178.5397 142 Q 3.9781 7.3580 116.3008 58.7663 28.5946 178.5452 143 K 4.1455 7.9772 119.0628 58.7938 32.3011 178.4057 144 M 4.3991 8.3567 114.7832 53.9714 32.4893 177.2980 145 G 4.0991 7.4921 105.0272 45.9568 0.0000 174.4396 146 L 3.9338 8.4122 121.2686 58.0450 42.1760 179.1944 147 Q 4.0035 8.1038 117.4522 59.4089 28.7941 178.7664 148 N 4.3731 8.1755 116.6444 56.3921 38.3412 176.7630 149 Y 4.0025 7.8701 120.2767 60.5750 39.1866 177.6951 150 L 4.0654 8.3143 120.2089 57.9330 41.6551 179.2012 151 Q 4.0071 8.1336 119.1876 59.0985 28.7176 177.7621 152 A 4.1687 7.5065 118.8699 53.3727 18.8029 178.2028 153 Q 4.2827 8.0119 116.3762 55.7527 29.1921 177.6034 154 I 3.9640 7.3984 121.6317 63.2421 37.4673 176.5219 155 R 4.6707 7.5567 118.0241 53.7781 32.2649 175.5933 156 E 4.1237 8.4684 119.8139 55.8877 30.5238 175.8721 157 E 4.0390 8.5490 122.3941 55.5021 30.3738 176.6181 *158 G 3.7325 8.6137 114.2118 45.8884 0.0000 172.1431 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 4.15 0.00 1.50 1.74 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 2 K 8.46 3.95 0.00 1.84 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.72 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 4 D 8.48 4.57 0.00 2.78 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 8.91 3.87 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 3.80 0.00 1.69 1.95 0.00 1.44 0.00 0.00 1.10 0.00 0.00 2.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.57 0.96 7.81 7 V 8.68 3.89 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 1.10 0.00 0.00 1.16 0.00 0.00 8 I 7.77 3.77 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 0.68 0.91 0.00 0.00 9 N 8.33 4.23 0.00 2.63 2.64 0.00 0.00 7.06 7.90 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 10 Y 8.06 4.09 0.00 3.19 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 11 L 8.46 3.83 0.00 1.99 1.75 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.46 4.38 0.00 2.88 2.82 0.00 0.00 6.69 8.63 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 13 K 8.18 3.87 0.00 1.74 1.96 0.00 1.60 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 1.46 7.81 14 L 8.18 3.84 0.00 0.93 1.24 0.89 0.52 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 7.86 4.09 0.00 1.72 1.85 1.08 1.12 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 8.22 3.62 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 0.00 0.00 0.00 17 N 8.07 4.35 0.00 3.00 2.92 0.00 0.00 7.05 7.75 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 18 E 8.45 4.16 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.84 0.00 19 L 8.37 4.22 0.00 1.88 1.96 0.95 1.14 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 20 V 7.86 3.64 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 0.89 0.00 0.00 0.90 0.00 0.00 21 A 8.07 3.81 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 8.28 3.74 2.05 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 1.60 0.74 0.91 0.00 0.00 23 N 7.82 4.39 0.00 2.93 2.86 0.00 0.00 6.76 7.75 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 24 Q 8.35 3.84 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 25 Y 8.48 4.37 0.00 3.15 3.05 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 26 F 8.42 3.81 0.00 3.43 3.12 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 27 L 8.19 3.97 0.00 1.95 1.58 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.24 3.79 0.00 3.56 3.28 0.00 5.72 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 8.32 4.16 1.34 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 0.00 0.00 30 R 7.80 3.85 0.00 1.74 1.88 0.00 3.27 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.69 0.00 31 M 7.79 3.42 0.00 0.87 1.60 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 32 F 7.51 4.58 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.93 0.00 2.04 1.92 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.99 4.28 0.00 2.68 2.67 0.00 0.00 7.33 8.52 0.00 0.00 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 8.01 4.75 0.00 3.72 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 8.19 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 37 L 8.17 4.48 0.00 2.22 1.69 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.81 0.00 1.99 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.16 3.97 0.00 2.04 2.00 0.00 3.46 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 7.76 4.11 0.00 1.69 1.05 1.08 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.54 0.00 3.14 3.01 0.00 0.00 7.12 8.14 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 42 D 8.13 4.31 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.34 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.72 0.00 0.00 44 E 8.25 3.80 0.00 2.30 2.33 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 2.47 3.01 0.00 45 Y 8.11 3.86 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 4.14 0.00 3.24 3.22 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 7.72 3.64 0.00 1.25 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 1.47 1.80 0.00 48 S 7.88 4.15 0.00 3.96 3.90 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 49 I 7.36 3.57 1.83 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.55 0.84 0.00 0.00 50 D 7.72 4.18 0.00 2.91 2.65 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 51 E 8.12 4.28 0.00 2.14 2.17 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 2.72 2.67 0.00 52 M 8.06 4.06 0.00 2.04 2.23 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 2.75 2.55 0.00 53 K 7.98 3.88 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.05 4.08 0.00 3.53 3.26 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 8.23 4.20 1.47 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 0.00 0.00 56 D 8.33 4.30 0.00 2.89 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 7.90 3.86 0.00 1.80 1.80 0.00 3.14 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 1.73 0.00 58 Y 7.83 4.37 0.00 3.22 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 8.24 3.79 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 1.58 0.93 0.95 0.00 0.00 60 E 8.53 4.08 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 2.47 0.00 61 R 8.01 4.06 0.00 2.15 2.20 0.00 3.36 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 8.44 3.76 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 1.58 0.66 0.97 0.00 0.00 63 L 8.11 4.06 0.00 2.11 1.79 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.15 4.37 0.00 2.98 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 8.20 4.28 0.00 1.84 1.63 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.90 0.00 2.07 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 2.16 2.27 0.00 67 G 8.27 3.96 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 0.00 0.00 0.00 68 L 8.02 4.54 0.00 1.60 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 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 9.41 4.72 0.00 2.59 2.78 0.00 0.00 7.08 7.73 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 71 L 8.32 4.62 0.00 1.63 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.49 4.13 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 73 D 8.05 4.65 0.00 2.69 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 8.28 4.58 0.00 1.52 1.50 0.91 1.05 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 75 G 8.51 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.01 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.56 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.85 4.82 0.00 2.62 2.69 0.00 0.00 7.19 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 79 I 8.56 3.89 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.92 0.00 0.00 80 G 8.29 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 8.70 4.75 0.00 2.00 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 2.27 2.31 0.00 82 D 7.72 5.04 0.00 2.81 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 8.47 4.03 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 1.05 0.00 0.00 1.24 0.00 0.00 84 E 8.23 3.83 0.00 2.03 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 0.00 2.33 2.28 0.00 85 E 8.63 4.01 0.00 2.39 2.11 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 2.35 2.36 0.00 86 M 8.44 4.25 0.00 2.29 1.77 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.05 0.00 87 L 8.67 4.15 0.00 2.03 1.78 1.30 0.73 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 88 R 8.60 3.91 0.00 2.09 1.95 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 8.14 4.11 0.00 4.05 4.06 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 90 D 8.19 4.25 0.00 3.14 2.80 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 0.00 0.00 0.00 0.00 91 L 8.25 4.02 0.00 1.83 1.91 0.98 0.84 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 8.27 4.00 1.34 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 0.00 0.00 93 L 7.92 3.91 0.00 1.91 1.80 0.91 0.87 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 8.38 4.07 0.00 2.27 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 2.62 2.72 0.00 95 L 8.18 4.04 0.00 2.04 1.75 0.96 1.01 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 8.44 4.53 0.00 2.71 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 8.32 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 8.52 4.02 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 7.96 3.85 0.00 2.08 2.00 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.11 4.39 0.00 3.00 2.91 0.00 0.00 7.13 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 8.25 3.98 0.00 1.97 1.73 0.98 1.33 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 0.00 102 R 8.33 3.90 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 103 E 8.04 3.86 0.00 2.08 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 2.36 2.51 0.00 104 A 7.80 2.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.71 2.03 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 7.84 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 8.25 4.04 0.00 3.16 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 0.00 108 A 8.26 3.82 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 7.90 4.10 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.48 4.15 0.00 3.94 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 0.00 111 V 6.75 4.03 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 0.52 0.00 0.00 0.66 0.00 0.00 112 H 6.94 2.79 0.00 3.18 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.39 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 4.35 0.00 3.11 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 0.00 115 V 7.85 3.74 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 1.00 0.00 0.00 0.97 0.00 0.00 116 S 8.39 4.16 0.00 4.19 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 3.89 0.00 1.91 2.21 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.28 4.31 0.00 3.02 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 0.00 119 M 8.34 4.01 0.00 2.25 2.04 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 2.50 2.50 0.00 120 M 8.26 4.18 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.82 0.00 121 I 8.14 3.73 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 0.91 0.92 0.00 0.00 122 E 8.06 3.98 0.00 2.10 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 2.47 2.48 0.00 123 I 7.60 3.48 1.94 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.78 0.79 0.00 0.00 124 L 8.12 3.97 0.00 1.84 1.85 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.07 3.94 0.00 2.01 2.11 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 1.62 1.68 0.00 126 D 8.01 4.36 0.00 2.94 2.80 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 0.00 0.00 0.00 0.00 127 E 8.19 3.92 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 128 E 8.72 4.14 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 129 G 7.95 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 0.00 130 H 8.09 4.44 0.00 3.54 3.54 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 2.12 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 1.51 0.85 0.97 0.00 0.00 132 D 8.43 4.37 0.00 2.96 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 0.00 133 W 8.35 4.12 0.00 3.54 3.45 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 0.00 0.00 0.00 0.00 134 L 8.57 3.79 0.00 1.98 1.77 1.38 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.92 0.00 2.20 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 0.00 2.34 2.50 0.00 136 T 7.82 3.77 4.18 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 1.16 0.00 0.00 137 E 7.68 3.73 0.00 1.55 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 0.00 1.47 1.47 0.00 138 L 7.74 3.79 0.00 1.72 1.62 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.18 4.39 0.00 2.76 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 8.05 3.99 0.00 1.84 1.83 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.42 3.38 1.69 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 -0.12 0.08 0.70 0.00 0.00 142 Q 7.36 3.98 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 143 K 7.98 4.15 0.00 1.72 1.85 0.00 1.67 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 1.45 1.64 7.81 144 M 8.36 4.40 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 145 G 7.49 4.10 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 0.00 0.00 0.00 146 L 8.41 3.93 0.00 1.74 1.66 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.10 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.18 4.37 0.00 2.97 2.89 0.00 0.00 6.66 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 7.87 4.00 0.00 3.02 3.16 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 0.00 150 L 8.31 4.07 0.00 2.05 1.70 1.07 1.11 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 8.13 4.01 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.51 4.17 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.01 4.28 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 154 I 7.40 3.96 2.00 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 1.31 0.45 0.91 0.00 0.00 155 R 7.56 4.67 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.47 4.12 0.00 2.11 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 2.28 0.00 157 E 8.55 4.04 0.00 1.96 1.90 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 2.28 2.30 0.00 *158 G 8.61 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.