NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3226 8.1844 120.7689 54.0516 42.5852 177.7819 5 V 3.7396 8.1563 126.3303 61.2082 29.1634 173.9648 6 D 4.5393 8.4857 124.4530 54.0103 44.1096 176.5726 7 T 3.9792 8.4046 120.1694 67.0759 68.5868 177.2780 8 T 3.8783 7.8327 117.2417 66.7442 68.5091 176.4070 9 E 4.0667 8.0976 120.0102 59.3923 29.4181 178.9022 10 M 4.1588 7.9017 118.5589 58.7928 32.3414 177.9558 11 Y 3.8943 8.5421 117.0496 60.8159 38.0368 178.2865 12 L 4.0639 8.3102 120.2609 57.9363 41.8158 179.8832 13 R 4.0112 8.2293 115.8223 59.4634 29.2550 179.0298 14 T 3.9316 7.8011 116.6458 66.4301 68.3718 176.7936 15 I 3.7255 7.8045 121.7801 64.4282 37.1780 177.6915 16 Y 3.8935 8.1848 120.3807 60.6714 38.6146 177.6198 17 E 4.0478 8.7325 120.4607 59.5308 29.7705 178.6931 18 L 3.9572 7.9799 118.6446 57.9473 41.6873 179.2444 19 E 4.0194 8.2411 118.4166 59.6786 29.1863 179.2143 20 E 3.8589 7.8681 117.8360 59.0443 29.7990 177.9251 21 E 4.2995 7.9424 116.0926 56.3375 29.7292 177.3279 22 G 3.8177 7.9073 107.3680 45.7903 0.0000 173.2784 23 V 4.2969 7.8389 119.0605 61.1650 33.0451 175.7929 24 T 4.0033 8.3422 123.9615 62.8623 69.1392 174.1576 25 P 4.6513 0.0000 0.0000 61.9592 29.5739 175.5675 26 L 4.5841 7.7124 122.4684 53.6696 43.4970 178.3764 27 R 3.9345 8.7642 120.4996 59.7223 29.9365 179.3102 28 A 3.9939 7.9388 119.8289 55.1888 18.4587 179.7778 29 R 3.9554 7.9101 116.1942 59.2897 30.0968 179.2085 30 I 3.6738 7.7831 119.5807 64.0819 37.0979 178.2725 31 A 3.8993 8.1570 121.9679 55.0438 18.2626 179.0784 32 E 3.8127 8.4769 118.1844 59.6213 29.5225 178.8714 33 R 3.8742 8.1343 117.6315 59.1629 30.2143 177.5210 34 L 4.2601 8.0004 115.5714 53.4663 42.7363 176.0762 35 E 3.8235 7.8759 118.0032 57.8662 27.6284 174.6693 36 Q 4.7024 7.8913 115.2405 53.3458 32.5132 177.1410 37 S 4.4785 8.4802 116.3835 57.9106 65.1598 175.7104 38 G 3.6407 8.5737 109.1186 47.8611 0.0000 174.0127 39 P 4.3210 0.0000 0.0000 65.5175 31.1860 178.9092 40 T 3.9505 7.8115 114.4494 66.6721 68.3684 177.3125 41 V 3.9614 7.8896 114.3773 64.5597 31.4930 178.7402 42 S 4.1156 8.2273 114.9091 61.6423 62.8105 176.2001 43 Q 3.9383 7.8717 121.6253 59.8718 28.7303 178.8057 44 T 3.6744 8.2018 116.7145 66.5562 68.3563 176.9509 45 V 3.5530 8.5431 120.3469 65.8026 31.3127 177.8621 46 A 4.1223 8.1220 120.1958 55.0887 18.4555 179.3965 47 R 3.9090 7.8064 116.6212 60.0107 30.2604 178.5244 48 M 4.0280 8.1152 118.4658 58.5510 31.8436 178.7680 49 E 4.3695 8.2864 120.0351 59.1225 29.4569 179.6565 50 R 3.9776 7.6993 116.6959 59.2288 30.2181 177.6444 51 D 4.4424 7.9829 115.3579 54.5692 41.1523 176.0384 52 G 3.8776 8.1316 107.6515 47.0305 0.0000 174.3877 53 L 4.7980 7.9997 119.8057 54.6056 44.2233 177.2254 54 V 5.0941 7.5117 117.1727 60.3899 34.6723 173.2160 55 V 4.5470 8.8660 122.0566 59.9715 34.7519 174.5683 56 V 4.6027 8.4028 122.6129 61.1914 32.4407 175.4814 57 A 4.2863 9.1958 131.8074 51.7102 19.2199 178.1472 58 S 4.0932 8.8221 115.7180 62.1556 62.7095 176.1548 59 D 4.4950 8.0977 117.4243 54.2413 39.0403 177.8576 60 R 4.1927 8.5060 118.2152 56.2710 28.7923 181.0700 61 S 4.5898 7.6046 111.1925 59.2361 64.6003 173.0965 62 L 4.9072 8.7445 122.1436 54.0126 42.8630 176.2109 63 Q 4.6379 8.9894 122.7159 54.0886 31.5639 174.9454 64 M 4.7467 8.7314 124.8539 55.3823 32.9303 176.7240 65 T 4.1996 8.5444 114.0369 60.6151 70.5970 173.8220 66 P 4.2791 0.0000 0.0000 66.2871 31.1011 179.1090 67 T 4.0302 7.9591 114.0198 66.5454 68.3408 176.9208 68 G 3.6267 8.0653 107.3371 47.6279 0.0000 175.8094 69 R 4.0011 8.5486 121.5235 59.5200 30.1300 178.6691 70 T 3.8773 8.0060 115.5403 66.7259 68.4738 176.3722 71 L 3.9858 7.8445 121.7758 57.9336 42.0992 178.7505 72 A 4.0013 8.4236 121.2346 55.5422 18.3135 179.7876 73 T 3.4476 8.2924 114.2828 66.3598 68.4355 176.8197 74 A 3.9335 7.9977 122.7672 55.1777 18.3699 179.7663 75 V 3.4996 7.6583 116.7153 66.5792 31.5808 178.2140 76 M 3.9487 7.8484 118.3428 57.9748 31.6487 178.7551 77 R 3.8142 8.0000 119.0165 59.3893 30.2564 178.6004 78 K 4.0147 8.1170 118.2767 59.8006 32.1875 178.5734 79 H 4.0609 8.4683 118.6220 59.6576 29.7717 177.4372 80 R 4.2371 8.1346 119.3996 58.8311 29.8446 179.0069 81 L 4.0180 8.1584 119.0026 57.5168 41.5616 179.2082 82 A 4.0672 8.3163 121.0779 55.2413 17.8450 179.5652 83 E 3.7325 7.9989 116.8267 59.4556 29.4141 179.7945 84 R 3.8242 7.9358 118.1012 58.9975 30.1361 178.6718 85 L 3.9197 8.1250 120.3579 58.2532 42.0629 178.8475 86 L 3.8353 8.3560 119.3221 57.9378 41.3272 179.7431 87 T 3.8773 7.6980 108.0356 64.7890 69.2282 176.3429 88 D 4.4470 8.1052 121.3274 56.2477 40.9323 177.2578 89 I 4.2572 7.4781 117.3423 63.0949 38.5493 177.4442 90 I 3.8153 7.7527 119.2070 62.3603 37.1514 176.8444 91 G 3.8265 8.2603 107.1052 45.9981 0.0000 173.5017 92 L 3.9829 7.7842 120.1898 54.1465 42.7952 176.1034 93 D 4.3164 8.7057 123.0350 54.8445 41.4180 177.0462 94 I 3.6241 8.7065 126.1406 64.6477 37.5852 177.0402 95 N 4.3687 8.5346 115.3885 54.9149 38.5659 176.3048 96 K 4.3648 8.5910 119.9409 57.0640 33.3767 178.4318 97 V 3.4544 7.2463 118.7516 66.4936 31.1373 177.5776 98 H 4.4431 8.0695 117.0090 59.0018 29.8839 176.5141 99 D 4.4287 7.9516 119.0245 57.0343 40.9512 178.0437 100 E 3.9729 7.9128 119.4233 58.8489 30.2522 180.0229 101 A 4.0206 7.6630 123.0126 51.5604 17.2103 179.2863 *103 R 4.3780 7.8503 123.2048 57.0081 32.6998 178.9200 104 W 4.2860 8.5379 117.7053 59.3745 29.2046 178.2432 105 E 4.0774 8.3325 116.0435 59.1884 28.9051 177.7016 106 H 4.7771 7.8675 114.6713 56.7546 29.1700 176.0555 107 V 4.3118 7.6525 110.4154 60.7818 32.7909 174.9968 108 M 4.2467 7.9160 120.9088 54.6175 33.1515 176.4655 109 S 4.5647 8.3301 121.0745 57.5840 66.0183 174.8203 110 D 4.7569 8.4295 123.2633 57.0151 40.5361 178.9624 111 E 3.9612 8.1057 118.5710 59.4403 29.5069 179.3671 112 V 3.5956 7.4905 117.7145 66.0053 31.4427 177.7962 113 E 3.9913 8.0954 117.9447 59.6263 29.1920 179.6006 114 R 3.9494 8.0849 117.9377 59.2534 30.0070 179.3781 115 R 3.9395 7.9676 117.7721 59.3370 30.0179 179.1351 116 L 3.9849 8.2862 119.1923 57.7782 41.3509 179.7783 117 V 3.5836 7.8357 117.4962 65.5977 31.4387 177.9668 118 K 4.1510 7.5337 117.9343 59.1656 32.1542 179.1445 119 V 3.9150 7.8682 111.2189 62.1700 32.2025 176.9949 120 L 4.2057 7.6915 121.2035 54.8825 42.0756 178.1822 121 K 4.1489 8.5324 123.5988 57.0783 32.1186 176.3509 122 D 4.5744 7.7373 115.8822 54.0887 43.6062 174.9738 123 V 4.4124 8.2477 119.7746 61.4041 32.5457 177.4688 124 S 4.2436 8.5250 118.5701 61.2563 62.7208 174.5898 125 R 5.1427 7.4763 115.4422 54.0294 33.6768 174.7245 126 S 4.5108 8.8362 114.8524 56.7003 64.2789 173.5261 127 P 4.0247 0.0000 0.0000 64.6833 30.9320 177.4455 128 F 4.8175 7.3719 116.1343 57.2575 38.7320 176.8714 129 G 3.9858 8.0147 108.3357 45.4005 0.0000 173.5390 130 N 5.0290 7.6897 117.2591 50.2590 40.7557 172.4836 131 P 4.8366 0.0000 0.0000 63.1467 32.4040 175.9010 132 I 4.3008 8.3652 123.7228 59.9695 37.6692 174.2118 133 P 4.4909 0.0000 0.0000 62.0514 33.8036 176.8081 134 G 4.1406 8.8435 104.9732 46.1365 0.0000 175.6334 135 L 4.0240 7.5004 121.4940 57.6156 41.5858 179.1872 136 D 4.3769 8.0518 118.7172 57.3458 40.8679 178.4743 137 E 4.0839 8.1373 117.3423 58.9560 29.5166 178.6611 138 L 4.0263 7.6660 121.1588 55.7547 42.7691 176.6740 139 G 3.8749 8.7711 105.3680 46.1571 0.0000 173.9106 140 V 4.2781 7.5171 108.2829 60.9614 33.6551 174.8357 *148 P 4.0093 0.0000 0.0000 63.7050 31.5881 179.7418 149 G 4.0594 8.9264 109.2594 44.0697 0.0000 172.1657 150 T 4.3033 8.0633 108.5179 60.1783 70.0921 174.7423 151 R 4.3356 8.4562 123.7444 56.3732 31.0183 177.5485 152 V 3.5555 8.5738 121.7918 66.5424 31.1501 178.3002 153 I 3.6355 7.5056 116.8340 63.9324 37.7999 176.8164 154 D 4.5788 8.2222 117.9324 55.2904 41.1903 177.6812 155 A 4.3700 7.7902 119.2614 52.1251 19.8339 177.1132 156 A 4.3350 7.3380 119.7336 52.1914 19.7523 176.2239 157 T 4.5781 8.1226 115.0356 61.1830 70.4127 175.3377 158 S 4.1414 8.8015 123.5354 61.2421 62.2120 175.2629 159 M 4.7394 7.6967 117.7751 52.9832 32.8492 179.2992 160 P 5.2986 0.0000 0.0000 61.9296 32.5198 176.0313 161 R 4.5201 7.9854 114.4563 55.3769 32.0372 174.4189 162 K 4.8976 8.8253 121.1385 56.6750 33.4701 175.8329 163 V 4.2445 8.4351 119.9778 61.7395 35.2363 171.1873 164 R 5.0609 8.4175 120.3316 54.5648 32.5840 175.9245 165 I 4.2171 9.0331 124.9968 61.3947 37.9187 176.2569 166 V 4.1753 8.8677 127.0891 64.0841 33.2440 176.0558 167 Q 4.5555 7.6621 117.1974 55.0464 31.2231 175.7621 168 I 3.8046 8.6305 123.1745 61.8062 38.0606 175.5934 169 N 4.1905 8.1796 116.4206 53.9676 36.0482 176.0911 170 E 4.2102 8.0046 117.4570 59.0567 29.9920 178.6477 171 I 3.5884 7.5103 118.7466 63.3287 38.0453 176.0786 172 F 4.9603 7.6871 116.7977 57.7031 39.2947 175.8085 173 Q 4.3464 8.1182 121.3065 55.6060 29.4062 175.9429 174 V 3.9109 8.4334 122.0074 64.6449 32.3806 175.7631 175 E 4.2401 7.9152 119.6989 55.4708 30.3380 175.5625 176 T 3.3251 7.9449 114.0253 60.7178 69.7864 175.0153 177 D 4.4261 7.5267 121.7349 55.5382 39.5381 177.0588 178 Q 4.3677 7.7372 118.3343 57.0152 29.9829 177.4476 179 F 4.4343 8.3251 117.9926 61.3947 38.9970 177.7870 180 T 4.0797 8.0705 114.1394 66.1607 68.2590 176.8881 181 Q 3.9802 8.0072 119.9824 58.9887 28.8039 178.4053 182 L 4.0234 7.9431 119.8786 57.9597 41.8112 179.7170 183 L 4.0072 7.9574 118.7910 57.9595 41.3225 179.3853 184 D 4.4306 8.4248 118.0691 56.8213 40.8176 177.6423 185 A 4.3996 8.3250 119.0732 51.0116 18.8749 176.5570 186 D 4.2574 7.6189 116.3051 55.7056 39.1769 174.4602 187 I 4.0925 7.9545 120.7386 60.0282 37.0343 175.0961 188 R 4.6813 8.1132 125.3451 53.8155 33.6938 174.9505 189 V 3.5726 8.1063 118.4075 64.7282 31.7871 176.4496 190 G 3.9167 9.1958 115.5823 45.4609 0.0000 173.0964 191 S 4.6522 7.5859 115.7170 57.2108 65.2198 173.3294 192 E 4.9017 8.6326 122.1807 55.4447 30.4784 175.3134 193 V 4.6974 8.5587 118.8350 59.2510 36.1415 173.8898 194 E 5.1393 9.1552 121.7345 54.8492 32.5117 175.5667 195 I 4.8187 8.6144 120.6492 58.8385 41.1881 174.5771 196 V 4.8468 7.7330 125.0693 62.4440 32.8458 171.1089 197 D 4.8686 8.7843 126.9107 54.2577 41.0922 174.7953 198 R 4.5067 8.2178 118.3344 58.3969 37.7400 176.5352 *201 H 4.6356 7.6330 114.0693 53.6913 29.8239 174.7479 202 I 4.6402 7.8864 120.8715 61.6531 38.3197 175.3632 203 T 5.0696 8.4079 122.2917 61.7838 71.9492 173.1572 204 L 4.7541 8.9350 128.3540 54.2085 42.1723 175.7924 205 S 4.9054 8.9169 120.0203 57.9076 64.1953 172.3193 206 H 4.5079 9.2087 122.0929 56.3358 33.9088 173.3954 207 N 4.0620 9.4214 120.4234 54.4746 37.1355 175.3817 208 G 3.8795 8.3038 102.4915 44.9613 0.0000 173.8861 209 K 4.5305 8.0451 120.8460 54.6747 33.8675 175.4957 210 D 4.8883 8.7174 125.6807 53.9356 42.0986 176.4060 211 V 4.2768 8.3068 122.3102 60.8926 33.9292 173.8840 212 E 4.5764 8.8183 129.6024 56.0277 30.1763 175.7748 213 L 4.9849 8.7708 126.9464 53.3001 44.2822 176.2123 214 L 4.5285 8.6417 121.1366 53.4835 43.4333 177.5787 215 D 4.3947 8.6066 119.4824 58.2450 40.7910 179.1950 216 D 4.3735 8.1404 118.1908 57.6889 40.8136 179.1908 217 L 4.1546 7.9204 118.4087 57.8110 41.8775 179.1820 218 A 4.0279 8.0817 120.7277 55.4373 18.0990 178.9458 219 H 4.4575 8.5225 113.1959 57.5949 29.0336 176.0204 220 T 4.6631 7.2936 107.6894 61.5957 71.1786 174.8398 221 I 4.2147 8.2041 124.6880 61.2060 38.4320 175.1406 222 R 5.2685 9.0308 126.1918 54.2855 32.8113 175.0281 223 I 4.9791 8.6613 119.5164 59.6271 40.0410 175.5211 224 E 4.3301 9.1572 128.1560 56.2785 30.8105 173.3875 225 E 4.2834 8.9917 125.5555 56.3264 30.6458 174.7506 226 L 4.1968 8.4045 122.2752 53.9688 41.1183 175.4295 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 L 8.18 4.32 0.00 1.68 1.55 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.16 3.74 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 0.83 0.00 0.00 0.95 0.00 0.00 6 D 8.49 4.54 0.00 2.74 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 7 T 8.40 3.98 4.19 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 0.00 0.00 1.15 0.00 0.00 8 T 7.83 3.88 4.23 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 1.22 0.00 0.00 9 E 8.10 4.07 0.00 2.26 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 2.45 2.41 0.00 10 M 7.90 4.16 0.00 2.36 2.14 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 2.65 2.57 0.00 11 Y 8.54 3.89 0.00 3.22 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 12 L 8.31 4.06 0.00 1.90 1.79 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.23 4.01 0.00 2.04 2.17 0.00 2.81 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.00 0.00 14 T 7.80 3.93 4.33 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 1.14 0.00 0.00 15 I 7.80 3.73 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.94 0.00 0.00 16 Y 8.18 3.89 0.00 3.16 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 17 E 8.73 4.05 0.00 2.27 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 2.48 2.40 0.00 18 L 7.98 3.96 0.00 1.87 1.69 0.90 0.73 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 19 E 8.24 4.02 0.00 2.04 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 2.27 2.43 0.00 20 E 7.87 3.86 0.00 2.09 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 2.34 2.33 0.00 21 E 7.94 4.30 0.00 2.12 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 2.34 2.50 0.00 22 G 7.91 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 0.00 0.00 0.00 23 V 7.84 4.30 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 0.78 0.00 0.00 0.92 0.00 0.00 24 T 8.34 4.00 4.23 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 1.21 0.00 0.00 25 P 0.00 4.65 0.00 2.21 2.00 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 26 L 7.71 4.58 0.00 1.70 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.76 3.93 0.00 1.87 2.03 0.00 3.16 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 28 A 7.94 3.99 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 29 R 7.91 3.96 0.00 1.97 1.97 0.00 3.28 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 30 I 7.78 3.67 2.02 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 1.42 0.83 0.71 0.00 0.00 31 A 8.16 3.90 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 32 E 8.48 3.81 0.00 2.11 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 2.29 2.31 0.00 33 R 8.13 3.87 0.00 1.79 2.09 0.00 3.46 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 34 L 8.00 4.26 0.00 1.49 1.53 -0.01 0.94 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 35 E 7.88 3.82 0.00 2.07 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 2.25 2.45 0.00 36 Q 7.89 4.70 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 37 S 8.48 4.48 0.00 4.06 4.01 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 38 G 8.57 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 39 P 0.00 4.32 0.00 2.18 2.14 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 40 T 7.81 3.95 4.44 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 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0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.84 3.58 2.24 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 0.83 0.00 0.00 1.02 0.00 0.00 118 K 7.53 4.15 0.00 1.93 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.61 7.81 119 V 7.87 3.91 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 0.82 0.00 0.00 0.98 0.00 0.00 120 L 7.69 4.21 0.00 1.74 1.58 0.91 1.13 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 0.00 121 K 8.53 4.15 0.00 1.78 1.72 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 0.99 7.81 122 D 7.74 4.57 0.00 2.57 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 0.00 123 V 8.25 4.41 2.08 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 0.80 0.00 0.00 0.93 0.00 0.00 124 S 8.53 4.24 0.00 3.90 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 0.00 125 R 7.48 5.14 0.00 1.70 1.78 0.00 3.25 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 126 S 8.84 4.51 0.00 4.14 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 0.00 127 P 0.00 4.02 0.00 0.65 1.67 0.00 3.30 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 128 F 7.37 4.82 0.00 3.03 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 0.00 129 G 8.01 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 0.00 130 N 7.69 5.03 0.00 2.91 2.79 0.00 0.00 6.83 8.03 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 0.00 131 P 0.00 4.84 0.00 2.11 2.08 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 132 I 8.37 4.30 2.03 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 1.29 0.76 0.91 0.00 0.00 133 P 0.00 4.49 0.00 2.17 2.32 0.00 3.82 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 134 G 8.84 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 0.00 135 L 7.50 4.02 0.00 1.84 1.74 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.05 4.38 0.00 2.70 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 0.00 137 E 8.14 4.08 0.00 2.17 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 2.49 2.32 0.00 138 L 7.67 4.03 0.00 1.79 1.94 0.98 1.19 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 G 8.77 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.52 4.28 2.08 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 0.69 0.00 0.00 1.02 0.00 0.00 *148 P 0.00 4.01 0.00 2.11 1.91 0.00 3.71 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 1.84 1.60 0.00 149 G 8.93 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 0.00 0.00 0.00 150 T 8.06 4.30 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 1.21 0.00 0.00 151 R 8.46 4.34 0.00 2.04 1.89 0.00 3.13 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 152 V 8.57 3.56 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 1.01 0.00 0.00 0.98 0.00 0.00 153 I 7.51 3.64 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.84 0.00 0.00 154 D 8.22 4.58 0.00 2.77 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 0.00 155 A 7.79 4.37 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 0.00 156 A 7.34 4.33 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 0.00 157 T 8.12 4.58 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 1.25 0.00 0.00 158 S 8.80 4.14 0.00 3.66 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 0.00 159 M 7.70 4.74 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.10 0.00 160 P 0.00 5.30 0.00 1.98 2.03 0.00 3.73 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 161 R 7.99 4.52 0.00 1.82 1.96 0.00 2.96 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 162 K 8.83 4.90 0.00 1.67 1.80 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.55 7.81 163 V 8.44 4.24 2.08 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 0.61 0.00 0.00 1.00 0.00 0.00 164 R 8.42 5.06 0.00 1.92 1.85 0.00 3.11 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 165 I 9.03 4.22 2.04 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 1.21 0.84 0.91 0.00 0.00 166 V 8.87 4.18 2.30 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 0.83 0.00 0.00 1.00 0.00 0.00 167 Q 7.66 4.56 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 168 I 8.63 3.80 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.88 0.00 0.00 169 N 8.18 4.19 0.00 3.11 3.12 0.00 0.00 6.92 7.66 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 0.00 170 E 8.00 4.21 0.00 1.71 1.67 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 2.15 1.80 0.00 171 I 7.51 3.59 1.64 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.05 0.00 0.00 172 F 7.69 4.96 0.00 3.30 2.99 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 0.00 173 Q 8.12 4.35 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.80 2.80 0.00 174 V 8.43 3.91 2.08 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 0.76 0.00 0.00 0.95 0.00 0.00 175 E 7.92 4.24 0.00 1.89 1.76 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 2.21 2.37 0.00 176 T 7.94 3.33 3.31 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 0.80 0.00 0.00 177 D 7.53 4.43 0.00 2.58 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 0.00 178 Q 7.74 4.37 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 179 F 8.33 4.43 0.00 3.15 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 0.00 180 T 8.07 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 181 Q 8.01 3.98 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 182 L 7.94 4.02 0.00 1.86 1.90 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.96 4.01 0.00 1.87 1.72 0.92 1.09 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 0.00 184 D 8.42 4.43 0.00 2.80 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 0.00 185 A 8.32 4.40 1.37 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 0.00 0.00 186 D 7.62 4.26 0.00 2.89 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 0.00 187 I 7.95 4.09 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 1.25 0.65 0.87 0.00 0.00 188 R 8.11 4.68 0.00 1.85 1.77 0.00 3.19 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 189 V 8.11 3.57 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 0.80 0.00 0.00 0.92 0.00 0.00 190 G 9.20 3.92 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 0.00 0.00 0.00 191 S 7.59 4.65 0.00 3.77 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.63 4.90 0.00 1.86 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 2.24 2.32 0.00 193 V 8.56 4.70 2.26 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 0.64 0.00 0.00 0.93 0.00 0.00 194 E 9.16 5.14 0.00 1.99 1.76 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 2.19 2.38 0.00 195 I 8.61 4.82 1.88 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 1.41 0.99 0.92 0.00 0.00 196 V 7.73 4.85 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 0.67 0.00 0.00 1.03 0.00 0.00 197 D 8.78 4.87 0.00 2.47 2.48 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 0.00 198 R 8.22 4.51 0.00 1.85 1.73 0.00 3.27 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 *201 H 7.63 4.64 0.00 2.86 3.01 0.00 7.15 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 I 7.89 4.64 1.89 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 1.37 1.58 0.98 0.00 0.00 203 T 8.41 5.07 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 0.00 204 L 8.93 4.75 0.00 1.82 1.82 0.93 0.91 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 0.00 205 S 8.92 4.91 0.00 3.92 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 0.00 206 H 9.21 4.51 0.00 3.27 3.07 0.00 5.98 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 N 9.42 4.06 0.00 3.07 2.84 0.00 0.00 7.06 7.98 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 0.00 208 G 8.30 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 0.00 209 K 8.05 4.53 0.00 1.81 1.75 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.61 7.81 210 D 8.72 4.89 0.00 2.55 2.60 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 0.00 211 V 8.31 4.28 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 1.06 0.00 0.00 0.96 0.00 0.00 212 E 8.82 4.58 0.00 2.03 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 2.30 2.49 0.00 213 L 8.77 4.98 0.00 1.56 1.59 0.95 0.93 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 0.00 214 L 8.64 4.53 0.00 1.80 1.58 0.91 0.96 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 0.00 215 D 8.61 4.39 0.00 2.62 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 0.00 216 D 8.14 4.37 0.00 2.76 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 0.00 217 L 7.92 4.15 0.00 1.85 1.77 1.07 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 0.00 218 A 8.08 4.03 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 0.00 219 H 8.52 4.46 0.00 3.29 3.40 0.00 5.79 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 0.00 220 T 7.29 4.66 4.39 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 1.28 0.00 0.00 221 I 8.20 4.21 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 1.45 1.17 0.96 0.00 0.00 222 R 9.03 5.27 0.00 1.76 1.93 0.00 3.29 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 223 I 8.66 4.98 1.95 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 1.28 0.67 0.91 0.00 0.00 224 E 9.16 4.33 0.00 1.69 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 2.24 2.13 0.00 225 E 8.99 4.28 0.00 1.74 1.78 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 2.23 1.90 0.00 226 L 8.40 4.20 0.00 1.66 1.46 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.