NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.4648 8.3649 120.1922 54.7245 42.4583 172.8150 5 C 3.7054 9.5044 121.7465 59.4228 28.0924 170.8109 6 E 4.2618 9.2905 125.3127 56.2348 30.2178 174.5844 7 M 4.6662 8.3960 124.3971 54.3516 33.1493 175.6289 8 K 4.6272 9.3166 125.7343 54.7513 34.7700 175.1413 9 R 5.2106 8.4192 124.6408 55.1761 33.1900 174.7872 10 T 4.6960 8.7582 114.6290 61.5891 71.3367 172.3478 11 T 5.2520 8.3332 120.6957 61.8941 72.7161 173.2822 12 L 4.6645 8.6742 125.1555 53.8019 45.8357 174.9948 13 D 4.9536 8.7759 125.9918 54.5262 41.9328 175.5675 14 S 4.2727 7.9942 113.8874 56.5158 65.8752 173.8006 15 P 4.0676 0.0000 0.0000 64.5735 31.0413 177.3311 16 L 4.0842 7.2137 117.2819 54.0677 41.9233 176.7935 17 G 3.7754 7.7766 107.2945 43.7863 0.0000 172.5814 18 K 4.4164 7.8267 118.4785 56.3459 33.1675 176.5107 19 L 4.8871 9.1476 125.1297 52.8249 44.5114 174.8674 20 E 4.9537 9.2507 125.2861 54.5806 31.6316 174.3043 21 L 5.2823 8.9485 128.0007 53.2266 44.0905 175.7799 22 S 5.2127 8.7836 117.4891 56.9036 66.5742 173.1185 23 G 4.5659 8.7535 108.0969 46.0363 0.0000 171.0151 24 C 5.6270 8.8433 114.6025 54.7506 32.9499 174.8132 25 E 4.0442 8.9304 115.6340 58.8793 29.2560 177.8324 26 Q 4.1603 8.0243 117.3120 55.9029 29.6205 175.7177 27 G 4.1369 7.2598 109.1691 44.6078 0.0000 171.4940 28 L 4.2716 8.0763 122.8001 56.3748 42.5369 176.6211 29 H 4.9022 9.3653 123.5576 57.3833 29.9077 175.0920 30 E 5.0955 7.9488 113.5279 54.6729 34.3184 174.3010 31 I 4.9304 8.8846 123.3780 59.7483 39.7852 175.0993 32 I 4.6962 8.8516 128.2939 59.3791 40.3332 175.0319 33 F 4.6870 9.0434 124.9033 56.7098 39.5278 176.2308 34 L 3.8848 9.0733 124.7393 54.6743 41.4658 178.2492 35 G 3.7658 7.8692 107.7770 46.4684 0.0000 175.7612 *54 G 3.9446 8.0868 108.6136 44.3816 0.0000 174.5662 55 G 4.2981 7.7165 109.6849 44.5996 0.0000 172.5506 56 P 4.3711 0.0000 0.0000 64.6647 32.1731 177.4030 57 E 4.0178 8.1510 119.9973 55.9086 31.1528 175.4546 58 P 4.2408 0.0000 0.0000 65.7422 31.5259 178.8121 59 L 3.9750 7.9173 118.5917 58.2336 42.0322 178.7618 60 M 4.1696 7.8879 118.3652 58.2384 32.1325 178.4230 61 Q 4.1438 8.4223 118.1793 58.9276 28.8738 178.8259 62 A 4.1044 8.4367 122.1137 55.4493 18.4437 179.8150 63 T 3.9132 8.1234 114.1226 66.7919 68.4660 176.8139 64 A 4.1193 8.2959 122.7592 54.7219 18.3782 179.4658 65 W 3.7963 8.5393 126.9516 60.7465 30.9224 178.3288 66 L 4.2311 8.4321 118.9495 57.7531 41.0488 179.0488 67 N 4.5029 8.4980 117.0295 56.5699 38.8179 176.8441 68 A 3.5812 7.7395 122.3875 54.9454 17.9896 178.6972 69 Y 3.4525 7.3448 117.3916 60.8695 38.7644 178.2328 70 F 4.4627 7.7009 116.3849 59.6128 39.3742 176.7681 71 H 4.9980 8.2260 112.8300 55.2465 31.4241 173.8556 72 Q 4.5449 8.1897 122.6919 53.5250 29.2934 174.5048 73 P 3.8583 0.0000 0.0000 65.5519 31.2933 177.3554 74 E 3.7490 7.9735 116.1155 58.4785 29.6082 177.7782 75 A 4.4980 7.8103 119.8684 51.8394 19.3345 178.1557 76 I 3.3845 7.2094 119.5137 64.2384 37.7189 177.4611 77 E 4.2889 8.0454 116.9938 58.3489 29.5552 177.4073 78 E 4.2379 8.4088 118.1215 57.6393 30.0513 176.7460 79 F 4.3022 8.0207 118.1054 55.7157 39.7136 173.8840 80 P 4.3725 0.0000 0.0000 62.7485 31.7334 176.0040 81 V 3.8190 8.2753 122.7835 61.0821 32.2105 174.1089 82 P 4.5049 0.0000 0.0000 62.4111 31.9720 175.8895 83 A 4.1602 8.3728 121.4983 52.2430 19.6912 176.1532 84 L 5.0432 8.2963 119.5682 53.1766 44.1429 175.8857 85 H 4.9834 9.5941 121.0027 55.6015 31.7762 172.8190 86 H 3.8913 8.5831 116.8628 56.2223 30.3498 174.0529 87 P 4.1365 0.0000 0.0000 65.3887 31.3325 179.0462 88 V 3.4566 7.8202 116.4361 63.7580 31.2692 176.7262 89 F 4.3862 7.7301 117.6261 57.8574 39.3449 176.6713 90 Q 4.2914 7.6753 119.2846 57.3750 28.9618 176.0995 91 Q 4.5351 7.4586 115.1925 53.2495 32.5813 174.4562 92 E 3.8535 8.6728 122.4860 56.5749 30.3084 176.6338 93 S 4.5611 7.8458 118.8089 56.4471 66.6645 175.9337 94 F 4.1343 8.5913 124.0441 61.6945 39.0955 177.2988 95 T 3.6810 7.8483 115.0429 66.4202 68.2930 176.3855 96 R 3.4277 7.8964 120.7265 59.3385 29.9323 178.5432 97 Q 4.0359 7.8934 117.8348 58.7882 28.6735 178.8327 98 V 3.3664 7.5549 119.5555 66.0301 31.5237 178.1771 99 L 4.0416 7.7188 118.3359 57.6344 41.4894 179.4414 100 W 4.5185 8.6889 119.2686 60.0587 29.0644 178.8410 101 K 4.0632 8.6290 118.7285 59.1048 31.4446 179.2230 102 L 3.9522 8.1029 120.7618 58.0406 41.8259 178.6540 103 L 3.9167 7.7611 118.8292 58.2827 42.0938 178.6575 104 K 4.0648 8.1787 118.2401 58.7617 32.1898 178.0072 105 V 4.2867 7.7775 116.8168 62.6532 32.5008 175.6020 106 V 4.2161 7.4505 118.9574 61.3230 31.6370 175.3809 107 K 4.5370 8.9364 127.6379 54.3133 33.6928 176.0666 108 F 4.3306 8.8154 122.0418 60.5560 39.2167 175.4517 109 G 3.9626 9.1453 116.4003 45.3156 0.0000 172.6160 110 E 4.7756 7.8398 118.1614 54.5780 32.0523 175.1438 111 V 4.7125 7.9101 112.4215 59.7842 35.8379 174.6815 112 I 4.7915 8.6244 121.4777 59.3358 41.8963 174.4895 113 S 4.7074 8.4338 121.0419 57.8769 64.5027 174.4632 114 Y 4.2180 8.4198 119.7844 61.6371 37.7231 179.4227 115 S 4.1753 8.1178 113.1981 61.9082 62.5697 175.8324 116 H 4.3934 8.4781 119.0652 58.6523 28.2875 177.6243 117 L 3.9804 8.3352 122.3619 57.8369 41.8188 178.6724 118 A 4.2715 8.4958 120.9312 55.2835 18.3675 179.5104 119 A 3.9825 8.0697 118.9439 55.2874 18.2928 179.3313 120 L 3.9347 8.0271 117.6235 58.4518 42.2051 178.5034 121 A 4.2822 8.1333 117.6407 52.5741 18.4606 177.9058 122 G 4.1724 8.8597 105.9429 45.2288 0.0000 174.5040 123 N 4.8839 8.9017 118.8656 50.3577 39.2247 171.1900 124 P 4.4108 0.0000 0.0000 63.5363 32.1759 176.9319 125 A 3.8050 8.8506 122.8572 52.8628 17.5198 178.7886 126 A 4.3639 7.5656 119.4974 51.5061 15.9329 178.7561 127 T 3.8843 7.6163 123.7933 66.5516 69.2149 176.6238 128 A 3.9014 7.9446 121.9474 55.0292 18.3703 179.3329 129 A 3.9592 7.9368 118.8726 55.2097 18.4854 179.7968 130 V 3.6811 8.0836 116.7762 66.1720 31.6565 178.4117 131 K 3.8721 8.0568 118.1083 59.7108 31.7867 179.3953 132 T 3.8107 8.0309 115.7115 66.5091 68.1594 176.3168 133 A 3.9447 8.0084 121.4999 55.4091 18.7232 179.3670 134 L 4.0990 8.4304 117.9733 57.9459 41.4489 179.9707 135 S 4.2344 8.0900 113.5103 60.9332 62.9525 175.8944 136 G 3.8828 7.4647 106.4337 43.5923 0.0000 173.0845 137 N 4.2445 7.4605 120.8076 53.4463 39.2133 172.8334 138 P 4.5399 0.0000 0.0000 63.7534 32.9055 175.7795 139 V 4.4191 7.9365 112.5092 59.0497 31.7873 172.9162 140 P 4.7704 0.0000 0.0000 63.9170 32.1661 176.1233 141 I 3.5429 8.5722 122.6732 62.5313 35.5060 175.1094 142 L 3.0466 7.8532 120.2476 57.6741 41.9171 177.4298 143 I 4.1035 7.6027 122.2331 59.5772 37.3452 175.2044 144 P 4.7124 0.0000 0.0000 61.0756 30.1107 176.7099 145 A 4.0412 7.9939 127.0809 56.0321 19.0248 179.5941 146 H 4.3676 8.4963 109.9597 57.8394 28.7732 176.1277 147 R 4.1188 8.0043 119.2270 55.9701 30.2517 175.5460 148 V 4.4260 7.5396 119.2217 61.2267 32.1263 175.1986 149 V 4.5454 7.8047 119.7761 58.2008 34.6647 176.9345 150 Q 4.1067 8.7191 121.8767 58.8660 29.3396 175.4807 151 G 3.9545 7.7493 104.1551 45.3155 0.0000 172.7465 152 D 4.3650 9.0660 117.9870 56.7698 41.0212 177.5141 153 L 4.6938 7.7779 116.0735 53.9210 42.6709 175.7726 154 D 4.5256 8.1464 119.7098 52.6340 42.7469 176.3089 155 V 3.6615 8.3845 127.6249 62.7517 32.4675 177.2884 156 G 4.1419 8.3965 108.2047 45.3714 0.0000 171.4772 157 G 4.3075 8.4884 111.4929 44.3057 0.0000 171.0188 158 Y 4.6879 7.7499 116.3689 56.6138 41.2509 172.8087 159 E 4.0653 7.8746 124.9880 57.3900 29.8068 177.3942 160 G 3.7606 8.6036 112.2299 45.1760 0.0000 173.6425 161 G 4.0883 7.8204 105.2642 45.0866 0.0000 175.0487 162 L 3.9973 8.3942 117.9835 56.8586 41.5044 179.6204 163 A 4.0205 7.5069 121.4915 55.1191 18.2464 179.8400 164 V 3.5925 7.7076 116.3225 65.7996 31.7236 177.8473 165 K 3.2246 7.5860 118.8977 59.5827 31.8374 178.4535 166 E 4.0168 8.4873 118.9162 58.6742 29.2773 179.1180 167 W 4.1016 8.5752 129.1246 60.4404 30.8751 177.9889 168 L 4.1506 8.4457 119.1006 57.9686 41.0168 179.5746 169 L 3.9207 7.9376 118.6408 57.5424 41.3851 179.5110 170 A 3.8274 7.6815 120.3946 55.2892 18.1966 178.7510 171 H 3.6215 7.5918 116.0149 58.9752 29.7875 175.7124 172 E 3.7123 7.4470 117.0736 55.8102 29.4019 177.1173 173 G 3.8307 8.0754 107.4622 45.8163 0.0000 173.5167 174 H 4.2947 8.2548 120.3071 55.0552 30.5653 176.0733 175 R 3.8120 8.3523 125.8600 59.6438 29.7992 177.2920 176 L 4.2533 8.1279 114.4442 55.5507 42.0278 177.0213 177 G 3.9680 7.7982 106.6668 45.9590 0.0000 173.9402 178 K 4.6523 8.5043 120.3199 54.6071 36.1799 176.7831 179 R 4.1936 8.6483 123.1624 56.4722 29.7214 176.6686 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 4 D 8.36 4.46 0.00 2.66 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 5 C 9.50 3.71 0.00 3.18 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 6 E 9.29 4.26 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 7 M 8.40 4.67 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 8 K 9.32 4.63 0.00 1.76 1.64 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.39 7.81 9 R 8.42 5.21 0.00 1.71 1.80 0.00 3.28 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 10 T 8.76 4.70 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 1.26 0.00 0.00 11 T 8.33 5.25 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 1.26 0.00 0.00 12 L 8.67 4.66 0.00 1.73 1.45 0.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.78 4.95 0.00 2.57 2.52 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 0.00 0.00 0.00 0.00 14 S 7.99 4.27 0.00 3.01 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 15 P 0.00 4.07 0.00 1.53 2.04 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 16 L 7.21 4.08 0.00 1.61 1.79 1.32 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.83 4.42 0.00 1.89 1.71 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.39 7.81 19 L 9.15 4.89 0.00 1.43 1.35 0.93 -0.18 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 20 E 9.25 4.95 0.00 1.96 1.79 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 2.21 2.26 0.00 21 L 8.95 5.28 0.00 1.67 1.57 0.93 0.48 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 22 S 8.78 5.21 0.00 3.86 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 23 G 8.75 4.57 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 0.00 0.00 0.00 24 C 8.84 5.63 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.93 4.04 0.00 2.09 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 0.00 2.27 2.31 0.00 26 Q 8.02 4.16 0.00 1.75 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.17 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 27 G 7.26 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.08 4.27 0.00 1.76 1.64 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 H 9.37 4.90 0.00 3.25 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.95 5.10 0.00 1.99 1.82 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 2.30 2.41 0.00 31 I 8.88 4.93 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.80 0.00 0.00 32 I 8.85 4.70 1.90 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 1.29 0.72 0.98 0.00 0.00 33 F 9.04 4.69 0.00 2.94 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 34 L 9.07 3.88 0.00 1.61 1.72 0.91 0.90 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 35 G 7.87 3.77 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 0.00 0.00 0.00 *54 G 8.09 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 55 G 7.72 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.37 0.00 2.20 2.20 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 57 E 8.15 4.02 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 58 P 0.00 4.24 0.00 2.21 2.09 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 59 L 7.92 3.98 0.00 1.77 1.69 0.91 1.05 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 60 M 7.89 4.17 0.00 2.12 2.12 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 2.71 2.60 0.00 61 Q 8.42 4.14 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 62 A 8.44 4.10 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 63 T 8.12 3.91 4.32 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 1.27 0.00 0.00 64 A 8.30 4.12 1.66 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 65 W 8.54 3.80 0.00 3.66 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.43 4.23 0.00 1.94 1.95 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.50 4.50 0.00 2.93 2.84 0.00 0.00 7.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.74 3.58 -0.02 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 0.00 0.00 69 Y 7.34 3.45 0.00 1.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.70 4.46 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.23 5.00 0.00 3.21 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.19 4.54 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 73 P 0.00 3.86 0.00 1.69 2.10 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 74 E 7.97 3.75 0.00 2.02 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 2.20 2.26 0.00 75 A 7.81 4.50 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 76 I 7.21 3.38 1.50 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.66 0.00 0.00 77 E 8.05 4.29 0.00 2.02 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 2.37 2.31 0.00 78 E 8.41 4.24 0.00 2.09 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 2.32 2.39 0.00 79 F 8.02 4.30 0.00 3.11 3.21 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 80 P 0.00 4.37 0.00 2.12 2.03 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 81 V 8.28 3.82 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 0.54 0.00 0.00 0.90 0.00 0.00 82 P 0.00 4.50 0.00 2.16 2.19 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 83 A 8.37 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.30 5.04 0.00 0.90 0.90 0.25 0.78 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 85 H 9.59 4.98 0.00 3.17 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.58 3.89 0.00 3.55 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.14 0.00 2.06 1.99 0.00 2.88 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 88 V 7.82 3.46 1.80 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 -0.42 0.00 0.00 0.58 0.00 0.00 89 F 7.73 4.39 0.00 3.25 3.27 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 0.00 0.00 0.00 90 Q 7.68 4.29 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 91 Q 7.46 4.54 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 92 E 8.67 3.85 0.00 1.91 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 2.28 2.29 0.00 93 S 7.85 4.56 0.00 3.99 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 94 F 8.59 4.13 0.00 3.12 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 95 T 7.85 3.68 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 1.05 0.00 0.00 96 R 7.90 3.43 0.00 1.53 1.58 0.00 2.21 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.72 0.00 97 Q 7.89 4.04 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 98 V 7.55 3.37 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 0.97 0.00 0.00 0.19 0.00 0.00 99 L 7.72 4.04 0.00 1.87 1.94 0.69 1.00 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 0.00 100 W 8.69 4.52 0.00 3.41 3.13 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 0.00 0.00 0.00 0.00 101 K 8.63 4.06 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.63 7.81 102 L 8.10 3.95 0.00 1.89 1.93 0.92 0.37 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 0.00 103 L 7.76 3.92 0.00 1.76 1.99 0.81 0.31 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 0.00 104 K 8.18 4.06 0.00 1.73 1.97 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.42 7.81 105 V 7.78 4.29 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 0.90 0.00 0.00 1.00 0.00 0.00 106 V 7.45 4.22 2.18 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 0.83 0.00 0.00 0.94 0.00 0.00 107 K 8.94 4.54 0.00 1.90 1.84 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.57 7.81 108 F 8.82 4.33 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 0.00 109 G 9.15 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 0.00 110 E 7.84 4.78 0.00 2.06 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 2.28 2.38 0.00 111 V 7.91 4.71 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 0.32 0.00 0.00 0.85 0.00 0.00 112 I 8.62 4.79 1.86 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 1.30 1.78 0.87 0.00 0.00 113 S 8.43 4.71 0.00 3.85 3.82 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 0.00 114 Y 8.42 4.22 0.00 3.14 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 0.00 115 S 8.12 4.18 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.48 4.39 0.00 3.21 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.34 3.98 0.00 1.78 1.89 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.50 4.27 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.07 3.98 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 0.00 120 L 8.03 3.93 0.00 1.76 1.98 0.95 1.43 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 0.00 121 A 8.13 4.28 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 0.00 122 G 8.86 4.17 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 0.00 0.00 0.00 123 N 8.90 4.88 0.00 2.40 2.22 0.00 0.00 7.18 8.42 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 0.00 124 P 0.00 4.41 0.00 2.10 2.02 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 125 A 8.85 3.80 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 0.00 126 A 7.57 4.36 1.14 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 0.00 0.00 0.00 0.00 0.00 127 T 7.62 3.88 4.26 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 1.18 0.00 0.00 128 A 7.94 3.90 1.26 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 0.00 0.00 129 A 7.94 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.08 3.68 2.38 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 1.20 0.00 0.00 1.20 0.00 0.00 131 K 8.06 3.87 0.00 1.83 1.64 0.00 1.42 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.37 0.94 7.81 132 T 8.03 3.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 133 A 8.01 3.94 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 0.00 134 L 8.43 4.10 0.00 1.86 1.80 1.19 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.09 4.23 0.00 4.11 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.46 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.46 4.24 0.00 2.76 2.79 0.00 0.00 7.11 7.76 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 0.00 138 P 0.00 4.54 0.00 2.46 1.98 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.68 0.00 139 V 7.94 4.42 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 0.87 0.00 0.00 1.08 0.00 0.00 140 P 0.00 4.77 0.00 2.45 2.15 0.00 4.17 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 141 I 8.57 3.54 1.87 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.20 0.00 0.00 142 L 7.85 3.05 0.00 1.12 1.58 -0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.60 4.10 2.18 0.00 0.00 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 1.30 0.61 0.98 0.00 0.00 144 P 0.00 4.71 0.00 2.10 2.27 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 145 A 7.99 4.04 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 0.00 146 H 8.50 4.37 0.00 3.14 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.00 4.12 0.00 1.89 1.98 0.00 3.07 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.00 148 V 7.54 4.43 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 0.49 0.00 0.00 0.91 0.00 0.00 149 V 7.80 4.55 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 0.81 0.00 0.00 0.88 0.00 0.00 150 Q 8.72 4.11 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 151 G 7.75 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 0.00 152 D 9.07 4.37 0.00 2.65 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 0.00 153 L 7.78 4.69 0.00 1.63 1.61 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.15 4.53 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.38 3.66 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 0.88 0.00 0.00 0.88 0.00 0.00 156 G 8.40 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.49 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 7.75 4.69 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.87 4.07 0.00 1.63 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 160 G 8.60 3.76 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 0.00 0.00 0.00 161 G 7.82 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 0.00 0.00 0.00 162 L 8.39 4.00 0.00 1.73 1.74 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.51 4.02 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 0.00 164 V 7.71 3.59 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 1.15 0.00 0.00 0.88 0.00 0.00 165 K 7.59 3.22 0.00 0.79 1.57 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.12 7.81 166 E 8.49 4.02 0.00 2.12 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 2.45 2.27 0.00 167 W 8.58 4.10 0.00 3.50 3.35 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 0.00 168 L 8.45 4.15 0.00 1.86 1.65 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.94 3.92 0.00 1.65 1.65 0.86 0.94 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 0.00 170 A 7.68 3.83 1.17 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 0.00 0.00 171 H 7.59 3.62 0.00 1.78 3.07 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.45 3.71 0.00 1.79 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 1.47 1.88 0.00 173 G 8.08 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 0.00 174 H 8.25 4.29 0.00 3.07 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.35 3.81 0.00 1.71 1.84 0.00 3.27 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 176 L 8.13 4.25 0.00 1.67 1.68 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 177 G 7.80 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 0.00 178 K 8.50 4.65 0.00 1.60 1.70 0.00 2.01 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 179 R 8.65 4.19 0.00 1.72 1.92 0.00 3.30 0.00 0.00 2.80 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.