NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 L 4.4830 8.1693 120.6206 54.7479 43.0645 177.1625 20 T 4.0240 8.7767 115.1915 59.9286 71.1638 173.9525 21 S 3.9077 9.2347 115.4114 61.7749 62.5974 177.3300 22 S 4.1284 7.9416 117.1447 61.5970 62.6063 176.3481 23 E 3.9176 8.1560 121.2868 59.4451 29.2306 179.4124 24 R 3.7781 8.1548 118.9754 59.2524 29.9795 178.6903 25 I 3.8432 7.7291 119.6298 64.4179 37.1993 177.7567 26 D 4.3270 8.2458 118.9713 57.4309 41.0631 178.2316 27 K 3.9724 8.2432 120.0712 59.5480 32.1003 178.5343 28 Q 4.0888 8.2311 119.9679 59.1460 29.0381 178.1824 29 I 3.7376 8.0756 120.9962 64.4726 37.1003 178.5282 30 R 3.9594 8.1364 118.9033 59.3288 29.8669 178.4223 31 Y 4.0392 8.2313 119.1770 60.9397 38.8393 178.2728 32 I 3.6414 8.0225 120.6421 64.3446 37.0853 178.4174 33 L 3.8945 8.3810 120.1695 57.9272 41.4454 179.3333 34 D 4.3692 8.3586 119.0810 57.0773 40.6635 179.1557 35 G 3.3820 7.7756 106.3859 47.7513 0.0000 175.8488 36 I 3.7094 8.0289 122.9907 64.1814 37.0454 178.5468 37 S 4.2392 8.3632 113.9083 61.1437 62.1609 176.0911 38 A 3.9461 7.9180 123.7377 54.9286 18.1046 179.6311 39 L 3.7240 7.8809 117.6545 57.5654 41.5284 179.6712 40 R 3.9379 8.4891 119.2227 59.2404 30.0471 178.3024 41 K 3.8483 8.2376 119.6907 59.5644 31.7057 178.0403 42 E 3.9287 8.0859 119.2434 59.8045 29.6173 178.7879 43 T 3.9328 8.3025 112.9860 65.4227 67.4899 175.6644 44 C 4.3768 8.6144 118.8201 60.0148 39.9337 175.8555 45 N 4.2445 8.2118 117.5420 55.7691 38.1138 177.2571 46 K 4.1736 7.4910 118.9729 58.9486 32.5786 178.8599 47 S 4.2622 8.4839 112.7708 58.2568 63.4201 174.5155 48 N 4.3005 7.7937 117.6839 54.5940 36.1130 174.3226 49 M 4.3233 7.5904 115.5885 55.2140 32.1525 175.3121 50 C 4.9369 8.5017 115.6909 54.4963 43.1840 174.3857 51 E 5.9026 8.7145 135.0000 58.7891 30.1439 178.9117 *61 N 4.7657 7.4407 115.0781 51.5378 38.4762 179.8928 62 L 4.1315 8.6288 120.2738 57.5811 42.6749 177.8439 63 N 4.9244 8.2260 119.0200 51.3241 37.6243 174.9935 64 L 3.7356 7.3009 119.8813 53.9431 42.8074 176.2623 65 P 4.1487 0.0000 0.0000 63.1630 31.7393 175.8044 66 K 4.8903 8.0979 120.5020 55.4124 35.1172 175.4139 67 M 4.3600 8.8565 125.0095 55.3281 32.7827 175.3539 68 A 4.9359 9.2654 124.4773 49.8071 22.6856 176.7630 69 E 4.0012 8.9213 119.8336 59.1346 29.7568 179.2548 70 K 4.0788 7.8918 116.6292 59.3172 33.0557 177.6387 71 D 4.2476 7.9784 119.4646 55.2957 41.0334 177.9018 72 G 3.9541 7.9129 107.7533 45.5639 0.0000 174.0813 73 C 4.4613 7.4760 115.2260 56.9218 40.9659 173.6108 74 F 5.3701 7.5209 118.0322 55.7932 40.4118 175.7372 75 Q 4.1241 8.9907 122.1626 59.3320 28.6189 177.4866 76 S 4.4797 8.0586 114.7504 60.2486 62.7333 174.2233 77 G 3.9582 9.1555 113.9725 44.9366 0.0000 171.9976 78 F 4.1722 7.4364 120.7655 58.7409 39.8041 174.8487 79 N 4.4884 8.0915 126.5612 51.3562 40.3753 174.0922 80 E 3.6962 9.0802 129.7083 60.0689 29.6262 179.0156 81 E 3.9565 8.0919 117.6060 61.4520 29.7974 180.9162 82 T 4.0716 8.0426 111.2766 64.4905 68.7558 175.9213 83 C 4.2387 7.8952 122.6832 58.8378 42.7993 175.3026 84 L 3.8769 8.1095 122.2821 58.1334 41.5467 179.1318 85 V 3.6227 7.6666 117.8555 65.7638 31.4329 177.9940 86 K 4.0070 8.2392 119.6537 59.4090 31.9960 178.8576 87 I 3.9694 8.2059 120.5469 64.5633 37.0173 178.4742 88 I 3.7989 7.8794 120.4479 64.7293 36.9151 178.3844 89 T 3.9989 8.3363 117.0648 66.9713 68.3536 176.8806 90 G 3.3125 8.7420 107.6861 47.4877 0.0000 175.8503 91 L 4.3076 8.1768 120.7132 57.8052 41.9785 179.2067 92 L 4.1746 8.4349 119.3863 57.8352 41.3104 179.4279 93 E 3.9964 8.2326 117.8017 59.0574 29.6333 178.8658 94 F 4.4412 8.0959 117.3070 59.4846 38.8863 177.4574 95 E 3.9969 8.0526 118.9849 59.2908 29.1326 179.4987 96 V 3.4960 7.6008 118.7210 65.0479 31.4010 177.9356 97 Y 4.1653 7.5884 116.6945 60.6105 37.7871 177.9373 98 L 4.1007 8.1310 120.2718 57.4296 41.6475 179.0048 99 E 4.2756 8.4505 121.1415 58.7532 29.5674 177.9004 100 Y 4.0867 8.2891 119.9519 61.0135 38.7399 178.3434 101 L 3.9401 8.1662 119.5140 57.9757 41.5340 179.4120 102 Q 4.0543 7.9491 118.4346 59.1753 29.0563 177.6534 103 N 4.4523 7.9548 116.5523 55.2407 38.6470 176.8983 104 R 3.9518 7.2342 119.5038 57.3585 30.6730 176.8326 105 F 4.1981 7.9759 117.8034 57.5694 39.8155 174.3546 106 E 4.3962 8.8382 124.7069 58.4525 30.7371 178.1128 107 S 4.0800 8.2676 111.3636 61.4585 62.8966 176.8081 108 S 4.7375 7.7757 115.9352 58.3326 62.7720 175.8817 109 E 4.0849 8.0908 124.1067 59.3938 29.5916 177.3169 110 E 4.0422 8.0856 118.4114 59.3388 29.5104 179.1204 111 Q 3.8774 7.8601 117.4567 58.7358 28.8527 178.2760 112 A 3.8641 7.9205 121.8366 55.2108 18.3396 179.6507 113 R 3.8180 8.5157 117.2685 59.5538 30.1247 178.5770 114 A 4.0087 8.3257 120.9251 55.0600 18.3391 179.7799 115 V 3.5453 8.0561 117.0578 66.0416 31.4682 177.8424 116 Q 3.9464 8.0631 119.2669 59.8350 28.9478 178.5580 117 M 4.1155 8.4031 119.8035 58.4361 31.9285 179.0439 118 S 4.2364 8.4207 115.4928 61.7177 62.9208 176.8229 119 T 4.0179 8.1206 118.7549 66.4909 68.1609 176.9823 120 K 4.0023 7.8687 120.5430 59.1641 31.9852 179.6517 121 V 3.2698 7.6841 118.8062 65.5499 31.2982 177.8022 122 L 3.8517 7.9296 120.1848 58.2283 41.9117 178.9672 123 I 3.7396 7.9146 119.7579 64.4914 36.8984 178.2437 124 Q 4.0101 8.0907 118.7991 59.2404 28.6930 179.2239 125 F 4.5689 8.0999 118.5873 60.7547 38.8956 177.8049 126 L 4.1883 8.5209 118.8599 57.5881 41.1447 179.5092 127 Q 4.0246 8.1885 117.7987 58.7557 28.7022 178.4046 128 K 4.0933 7.6651 118.5567 59.5948 32.2514 178.8966 129 K 4.1055 7.7652 117.5647 58.8227 32.0084 177.1693 130 A 4.6463 8.4157 123.3350 52.8771 19.8085 180.3101 131 K 3.9939 8.2657 127.9708 59.7108 32.3038 181.4877 132 N 4.5177 8.1642 114.7729 55.2959 37.8167 178.6062 133 L 4.0244 7.1545 117.3678 54.3587 42.3813 176.7976 134 D 4.5761 8.2623 119.4787 53.4826 42.2862 175.1835 135 A 4.3328 7.8276 122.7960 51.6399 19.1470 176.9198 136 I 4.4009 7.9774 121.9441 59.3218 38.8395 176.1887 137 T 3.9475 8.5207 115.7441 62.0436 69.0608 173.4434 138 T 4.6247 8.0883 114.8221 58.7501 71.1563 172.4292 139 P 4.2492 0.0000 0.0000 62.6858 32.1683 176.2057 140 D 4.4441 8.4754 120.3491 53.5112 42.1188 175.2836 141 P 4.2254 0.0000 0.0000 66.2005 31.2442 178.7374 142 T 3.9639 7.7735 113.9557 66.7804 68.5021 177.0108 143 T 3.8944 7.7615 116.5454 66.4119 68.3425 176.5749 144 N 4.1793 8.2822 118.3977 56.2643 38.5043 177.1535 145 A 3.9646 7.8504 121.8514 55.3492 18.3451 179.9637 146 S 4.1345 7.8056 115.0085 60.8268 62.8496 176.4221 147 L 3.8314 7.8047 123.0766 58.1293 41.8413 178.4427 148 L 3.9463 7.9365 120.5008 58.7028 41.4796 179.1504 149 T 3.8807 7.7189 109.0375 64.6050 68.3676 176.2633 150 K 3.9270 7.6252 121.0830 59.3849 32.6192 178.5984 151 L 4.0739 8.1356 119.2764 57.5346 41.2728 178.8089 152 Q 4.5155 8.1948 115.4930 56.9748 29.0543 177.1378 153 A 4.3066 7.5334 121.3951 52.8274 19.0998 177.7551 154 Q 4.1691 6.9162 114.9052 55.4044 29.6035 176.2437 155 N 4.7405 8.4232 118.0613 52.5740 39.6502 176.0543 156 Q 4.0660 8.6145 119.0677 58.6522 28.5838 178.9786 157 W 4.0037 8.3231 129.0174 60.5502 30.9071 177.9162 158 L 4.1097 8.7349 119.1393 57.9452 40.9499 179.6121 159 Q 4.1149 8.2983 118.0357 59.0499 28.6592 178.3713 160 D 4.2605 8.3376 120.2075 57.6357 40.8035 178.8991 161 M 3.9672 8.0144 119.2367 58.5762 31.8722 178.8072 162 T 3.8218 8.2911 116.2959 66.9660 68.6182 176.6894 163 T 4.0267 8.2375 117.7095 66.9956 68.4464 176.1595 164 H 4.2364 8.2186 120.0546 59.2486 29.7906 177.2816 165 L 3.8380 8.0047 120.7152 57.7895 41.3936 179.4730 166 I 3.7133 7.9750 119.9021 64.5208 37.0450 178.5126 167 L 4.1233 8.1432 119.7234 57.7861 41.3602 179.6568 168 R 3.8912 8.2644 118.8766 59.4447 29.9996 178.5117 169 S 4.1986 8.4445 113.3542 61.3963 62.3923 175.9317 170 F 3.7829 8.6960 123.8635 60.7729 38.9525 176.8889 171 K 3.6840 8.2316 119.4190 59.6605 32.0065 178.5093 172 E 3.9720 8.4276 118.8460 59.3997 29.3184 179.1061 173 F 4.0509 8.7198 121.0230 61.4484 39.4317 177.2419 174 L 3.9208 8.0709 118.5692 57.5904 41.3279 179.4298 175 Q 3.9578 8.3486 118.5281 59.1839 28.6802 179.1177 176 S 4.1932 8.1817 116.1016 61.5423 62.7640 176.9384 177 S 4.0011 8.0417 118.1938 61.4081 62.6958 176.3962 178 L 3.9424 8.2329 123.4253 58.1847 41.5883 178.9831 179 R 3.8858 7.8022 117.2835 59.3676 30.2988 178.1074 180 A 4.3637 8.2426 120.5789 55.2954 18.6203 179.6708 181 L 4.1001 8.4530 117.7801 57.7614 41.3531 179.9300 182 R 3.9991 7.7048 117.3530 59.1044 30.0294 177.4843 183 Q 4.2564 7.6763 114.8321 56.1164 28.7096 175.8978 184 M 4.3680 7.8250 123.7928 55.5151 32.2438 175.7324 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 19 L 8.17 4.48 0.00 1.58 1.60 0.86 0.61 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 20 T 8.78 4.02 4.21 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 1.18 0.00 0.00 21 S 9.23 3.91 0.00 3.85 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 22 S 7.94 4.13 0.00 3.89 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 23 E 8.16 3.92 0.00 2.22 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 2.29 0.00 24 R 8.15 3.78 0.00 1.72 1.56 0.00 2.36 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.42 0.00 25 I 7.73 3.84 2.05 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 1.61 0.54 0.99 0.00 0.00 26 D 8.25 4.33 0.00 2.81 2.83 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 27 K 8.24 3.97 0.00 1.93 1.95 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 28 Q 8.23 4.09 0.00 2.60 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 29 I 8.08 3.74 2.02 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 1.54 0.52 0.87 0.00 0.00 30 R 8.14 3.96 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 31 Y 8.23 4.04 0.00 3.20 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 32 I 8.02 3.64 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 0.87 0.00 0.00 33 L 8.38 3.89 0.00 1.80 1.65 0.89 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 34 D 8.36 4.37 0.00 2.69 2.61 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 35 G 7.78 3.38 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 0.00 36 I 8.03 3.71 1.96 0.00 0.00 0.53 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 0.65 0.93 0.00 0.00 37 S 8.36 4.24 0.00 3.83 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 38 A 7.92 3.95 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 39 L 7.88 3.72 0.00 1.75 1.45 0.69 -0.32 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 40 R 8.49 3.94 0.00 1.90 2.16 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 41 K 8.24 3.85 0.00 1.98 1.94 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 42 E 8.09 3.93 0.00 2.12 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 2.48 2.39 0.00 43 T 8.30 3.93 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 1.45 0.00 0.00 44 C 8.61 4.38 0.00 3.05 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 45 N 8.21 4.24 0.00 2.70 2.88 0.00 0.00 7.05 7.13 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 46 K 7.49 4.17 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.28 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.62 7.81 47 S 8.48 4.26 0.00 3.66 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 48 N 7.79 4.30 0.00 2.88 2.97 0.00 0.00 6.95 7.52 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 49 M 7.59 4.32 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.10 0.00 50 C 8.50 4.94 0.00 2.86 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 51 E 8.71 5.90 0.00 2.06 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 2.07 1.97 0.00 *61 N 7.44 4.77 0.00 2.77 2.51 0.00 0.00 6.74 7.79 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 62 L 8.63 4.13 0.00 1.51 1.46 0.81 0.83 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 63 N 8.23 4.92 0.00 2.72 2.64 0.00 0.00 6.77 7.79 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 64 L 7.30 3.74 0.00 1.48 1.32 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.15 0.00 1.15 1.52 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.66 0.00 66 K 8.10 4.89 0.00 1.75 1.70 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.60 7.81 67 M 8.86 4.36 0.00 1.78 2.18 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 68 A 9.27 4.94 1.22 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 0.00 0.00 69 E 8.92 4.00 0.00 2.25 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 2.46 2.50 0.00 70 K 7.89 4.08 0.00 1.88 1.92 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 71 D 7.98 4.25 0.00 2.58 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 72 G 7.91 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 73 C 7.48 4.46 0.00 2.58 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 74 F 7.52 5.37 0.00 3.06 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 75 Q 8.99 4.12 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 76 S 8.06 4.48 0.00 3.94 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 77 G 9.16 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 78 F 7.44 4.17 0.00 3.27 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 79 N 8.09 4.49 0.00 2.56 2.42 0.00 0.00 6.56 7.41 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 80 E 9.08 3.70 0.00 2.18 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 2.39 2.42 0.00 81 E 8.09 3.96 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 82 T 8.04 4.07 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 1.19 0.00 0.00 83 C 7.90 4.24 0.00 2.81 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 84 L 8.11 3.88 0.00 1.86 1.67 0.96 1.08 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 V 7.67 3.62 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 1.03 0.00 0.00 0.94 0.00 0.00 86 K 8.24 4.01 0.00 1.94 1.94 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.67 7.81 87 I 8.21 3.97 2.08 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 1.39 0.57 1.03 0.00 0.00 88 I 7.88 3.80 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 0.96 0.00 0.00 89 T 8.34 4.00 4.48 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 1.21 0.00 0.00 90 G 8.74 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 0.00 0.00 0.00 0.00 91 L 8.18 4.31 0.00 1.92 1.93 1.10 1.25 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 92 L 8.43 4.17 0.00 1.83 1.72 0.94 0.81 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 93 E 8.23 4.00 0.00 1.85 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 2.47 0.00 94 F 8.10 4.44 0.00 3.25 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 95 E 8.05 4.00 0.00 2.10 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 2.35 2.51 0.00 96 V 7.60 3.50 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 0.17 0.00 0.00 0.76 0.00 0.00 97 Y 7.59 4.17 0.00 3.29 3.08 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 98 L 8.13 4.10 0.00 1.76 1.67 0.68 0.11 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 99 E 8.45 4.28 0.00 2.01 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 2.31 2.17 0.00 100 Y 8.29 4.09 0.00 3.13 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 0.00 101 L 8.17 3.94 0.00 2.03 1.98 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.95 4.05 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 103 N 7.95 4.45 0.00 2.74 2.77 0.00 0.00 6.94 7.82 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 0.00 104 R 7.23 3.95 0.00 1.04 1.56 0.00 3.09 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.00 105 F 7.98 4.20 0.00 2.99 2.91 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 0.00 0.00 0.00 106 E 8.84 4.40 0.00 2.02 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 2.31 2.25 0.00 107 S 8.27 4.08 0.00 3.86 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 0.00 108 S 7.78 4.74 0.00 3.64 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 0.00 109 E 8.09 4.08 0.00 2.43 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 2.59 0.00 110 E 8.09 4.04 0.00 2.03 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 2.40 2.39 0.00 111 Q 7.86 3.88 0.00 2.04 1.97 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 2.36 2.34 0.00 112 A 7.92 3.86 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 0.00 113 R 8.52 3.82 0.00 1.89 2.12 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 114 A 8.33 4.01 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 0.00 115 V 8.06 3.55 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 1.13 0.00 0.00 0.94 0.00 0.00 116 Q 8.06 3.95 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 117 M 8.40 4.12 0.00 2.09 2.11 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 2.86 2.58 0.00 118 S 8.42 4.24 0.00 4.13 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 0.00 119 T 8.12 4.02 4.51 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 1.39 0.00 0.00 120 K 7.87 4.00 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.61 7.81 121 V 7.68 3.27 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 0.28 0.00 0.00 0.84 0.00 0.00 122 L 7.93 3.85 0.00 1.83 1.89 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.91 3.74 2.04 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 1.60 0.56 0.94 0.00 0.00 124 Q 8.09 4.01 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 125 F 8.10 4.57 0.00 3.20 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 0.00 126 L 8.52 4.19 0.00 1.87 1.79 1.02 1.36 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 0.00 127 Q 8.19 4.02 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 128 K 7.67 4.09 0.00 1.96 1.93 0.00 1.67 0.00 0.00 2.05 0.00 0.00 3.30 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.55 7.81 129 K 7.77 4.11 0.00 1.82 1.99 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 130 A 8.42 4.65 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.27 3.99 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.01 7.81 132 N 8.16 4.52 0.00 2.74 2.75 0.00 0.00 6.64 7.79 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 0.00 133 L 7.15 4.02 0.00 1.85 1.69 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.26 4.58 0.00 2.64 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 0.00 135 A 7.83 4.33 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 0.00 136 I 7.98 4.40 1.89 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 1.49 0.53 0.93 0.00 0.00 137 T 8.52 3.95 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 0.00 138 T 8.09 4.62 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 1.28 0.00 0.00 139 P 0.00 4.25 0.00 2.01 1.98 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 140 D 8.48 4.44 0.00 2.76 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 0.00 141 P 0.00 4.23 0.00 2.09 2.07 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 142 T 7.77 3.96 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 1.20 0.00 0.00 143 T 7.76 3.89 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 1.17 0.00 0.00 144 N 8.28 4.18 0.00 2.85 2.77 0.00 0.00 6.83 6.70 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 0.00 145 A 7.85 3.96 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 0.00 146 S 7.81 4.13 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 0.00 147 L 7.80 3.83 0.00 1.68 1.72 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.94 3.95 0.00 1.96 1.79 1.05 0.66 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 0.00 149 T 7.72 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 150 K 7.63 3.93 0.00 1.87 2.09 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 151 L 8.14 4.07 0.00 1.80 1.28 0.69 0.97 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 0.00 152 Q 8.19 4.52 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 153 A 7.53 4.31 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 0.00 154 Q 6.92 4.17 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 155 N 8.42 4.74 0.00 3.05 3.01 0.00 0.00 5.96 7.36 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 0.00 156 Q 8.61 4.07 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 157 W 8.32 4.00 0.00 3.48 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.73 4.11 0.00 1.81 1.95 0.98 1.24 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 0.00 159 Q 8.30 4.11 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 160 D 8.34 4.26 0.00 2.62 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 0.00 161 M 8.01 3.97 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 162 T 8.29 3.82 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 0.81 0.00 0.00 163 T 8.24 4.03 4.40 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 1.16 0.00 0.00 164 H 8.22 4.24 0.00 3.18 3.42 0.00 5.61 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 0.00 165 L 8.00 3.84 0.00 1.83 1.64 0.90 0.61 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 0.00 166 I 7.98 3.71 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 1.04 0.00 0.00 167 L 8.14 4.12 0.00 1.92 1.80 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 168 R 8.26 3.89 0.00 1.82 1.90 0.00 3.04 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 1.65 1.65 0.00 169 S 8.44 4.20 0.00 3.99 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 0.00 170 F 8.70 3.78 0.00 2.70 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.23 3.68 0.00 1.89 1.95 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 172 E 8.43 3.97 0.00 2.30 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 2.36 2.53 0.00 173 F 8.72 4.05 0.00 3.54 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.07 3.92 0.00 1.47 1.52 -0.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.35 3.96 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 176 S 8.18 4.19 0.00 3.90 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 0.00 177 S 8.04 4.00 0.00 3.91 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 0.00 178 L 8.23 3.94 0.00 1.91 1.80 0.93 0.72 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 0.00 179 R 7.80 3.89 0.00 1.87 2.14 0.00 3.34 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 180 A 8.24 4.36 1.52 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 0.00 0.00 181 L 8.45 4.10 0.00 1.75 1.77 0.95 0.85 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 0.00 182 R 7.70 4.00 0.00 2.09 1.96 0.00 3.13 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 183 Q 7.68 4.26 0.00 1.79 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 184 M 7.83 4.37 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.69 0.00 * Residues marked with a * may have inaccurate shift predictions.