NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1629 8.2629 120.2722 54.6944 33.2086 174.9343 2 K 4.2115 8.5106 130.4201 55.0142 32.2597 172.1473 3 G 3.9864 8.5313 114.0187 43.7141 0.0000 171.9348 4 D 4.6217 8.4320 119.3503 54.1664 41.9418 177.2581 5 T 3.8625 8.8704 122.8466 66.8462 68.4615 176.5948 6 K 3.8199 8.1733 120.9557 59.1673 32.2053 178.8482 7 V 3.9199 8.4878 118.7115 66.2961 31.4229 178.0153 8 I 3.7741 8.0108 119.5217 64.5133 36.8680 178.1832 9 N 4.2582 8.3401 117.3061 56.3791 38.2592 176.9124 10 Y 4.1083 8.0749 118.3186 61.2621 37.9619 178.7874 11 L 3.8537 8.3937 120.0704 58.0127 41.7128 179.4706 12 N 4.3056 8.5120 116.6889 56.0046 38.4157 177.3987 13 K 3.8852 8.0902 121.2229 59.4653 32.2693 178.9660 14 L 3.8522 8.0514 119.6682 57.4019 41.3601 178.9785 15 L 4.0056 7.7474 120.8808 58.2639 42.0249 179.2967 16 G 3.6167 8.1402 105.4559 47.9167 0.0000 175.3381 17 N 4.3722 8.0305 118.7218 56.2371 38.6509 177.3960 18 E 4.1148 8.4570 120.0314 59.3480 29.1453 179.3828 19 L 4.1245 8.3078 119.4627 57.6592 41.5913 179.7080 20 V 3.5688 7.7926 117.8579 66.0424 31.4747 178.0242 21 A 3.8626 8.0238 120.5055 54.9653 18.1579 179.5044 22 I 3.7715 8.3153 118.8279 64.8317 37.2669 178.4092 23 N 4.3736 7.8596 116.5898 56.3106 38.3305 177.3869 24 Q 3.8272 8.2474 121.0730 59.4636 29.0902 177.8817 25 Y 4.2859 8.3290 118.2464 60.8620 37.8300 178.2389 26 F 3.7809 8.5520 121.7776 61.1341 39.4932 176.9690 27 L 3.9811 8.1510 119.9682 58.4405 41.8030 178.4281 28 H 3.7596 8.3024 116.0236 58.7198 28.5612 177.3514 29 A 4.1413 8.1377 122.5204 55.6162 18.1930 180.0789 30 R 3.7914 7.7687 116.0967 59.1239 30.0393 179.2962 31 M 3.4522 7.8795 119.0926 58.1980 31.7640 178.6936 32 F 4.6560 7.8166 118.1845 60.4625 39.0881 177.6358 33 K 3.9476 8.4369 119.6772 59.5444 31.7906 178.2723 34 N 4.3094 7.9549 116.1863 56.5042 38.9742 176.2129 35 W 4.7903 7.9491 117.2909 57.2392 29.3854 177.2036 36 G 4.0018 8.3806 108.2472 45.7360 0.0000 174.0869 37 L 4.7794 8.1459 122.6463 52.7756 40.3483 177.1857 38 K 3.9313 8.0779 122.0862 59.4769 32.4416 178.5465 39 R 3.8685 8.2534 119.0101 59.4631 29.9279 178.6582 40 L 4.0572 7.7673 118.3549 57.5166 41.5212 178.5734 41 N 4.5224 8.3519 117.1291 57.0443 38.8869 176.6219 42 D 4.2860 8.2799 120.2169 57.3197 40.8291 179.0714 43 V 3.3304 7.6973 118.6686 66.0140 31.4524 178.0447 44 E 3.7794 8.4093 118.5884 59.2120 29.2448 178.6573 45 Y 3.8042 8.2430 120.0310 61.1449 38.7907 178.1101 46 H 4.0779 8.1970 116.8170 58.5866 28.7129 177.7075 47 E 3.5195 8.0978 121.1372 58.9700 28.9379 179.1906 48 S 4.1605 7.7835 113.3702 61.4770 62.4579 176.2667 49 I 3.5518 7.5340 122.4996 64.3501 36.7726 178.0404 50 D 4.2482 8.2096 120.0174 57.5644 40.5797 178.8543 51 E 4.2474 8.1299 120.1684 58.7802 29.3850 179.1567 52 M 4.0460 8.2502 119.2300 58.4330 32.0313 178.8724 53 K 3.9426 8.1279 118.4594 59.6898 32.2102 179.0695 54 H 4.0889 8.1832 116.1735 58.8552 28.5868 177.5517 55 A 4.2289 8.3571 122.7629 55.2949 18.1165 178.9747 56 D 4.2995 8.2682 116.4476 57.7848 41.2586 178.8039 57 R 3.8695 7.9211 118.3208 59.4301 29.9402 178.7292 58 Y 4.2690 7.8771 116.4023 61.1709 37.9246 178.5242 59 I 3.7826 8.1541 120.9429 64.6135 37.2426 178.3896 60 E 4.0266 8.4906 119.5026 59.3461 29.2652 179.4684 61 R 4.0352 8.2858 118.8102 59.5089 30.1608 178.5267 62 I 3.7744 8.2464 120.0291 64.5326 37.1504 178.4444 63 L 4.0154 8.1650 119.7401 57.6964 41.2180 179.2461 64 F 4.3733 8.2464 119.6865 61.3180 39.6701 176.4504 65 L 4.7176 7.9983 117.2892 53.8863 41.1160 177.1548 66 E 3.6302 7.9216 117.4917 57.4021 27.1261 174.6086 67 G 3.9293 7.9837 108.2430 44.1255 0.0000 173.7884 68 L 4.5550 7.9953 118.8537 51.9071 42.3480 175.1496 69 P 4.3497 0.0000 0.0000 62.6587 31.6934 175.8948 70 N 4.6873 9.2675 122.7501 52.4777 38.6134 173.9252 71 L 4.6268 8.3579 124.3677 54.5687 42.2858 177.3386 72 Q 4.1196 8.5339 122.1835 57.5627 29.4523 175.4991 73 D 4.5997 8.1506 117.8951 52.9815 41.1161 175.0974 74 L 4.5400 8.2958 126.6566 52.8272 43.6298 176.4820 75 G 3.8512 8.5235 117.5275 45.0593 0.0000 173.3150 76 K 4.1430 8.2922 120.9931 54.2649 32.1439 173.6604 77 L 4.3919 8.2410 123.8296 53.0525 42.7086 176.4235 78 N 4.8168 8.8841 120.1012 51.8408 39.8325 174.4967 79 I 3.7566 8.4173 125.9931 63.9562 37.5968 178.3239 80 G 4.1954 8.2416 102.3042 45.8288 0.0000 172.6222 81 E 4.8228 8.7485 115.7269 55.2921 31.7836 176.3177 82 D 4.9500 7.7700 117.7133 50.3828 44.0245 176.1784 83 V 4.0648 8.3974 119.1218 66.4676 31.4586 177.7078 84 E 3.8887 8.2162 118.3613 59.3969 29.5550 178.3878 85 E 4.0016 8.6921 118.6392 59.5734 29.4731 179.3566 86 M 4.0536 8.2888 118.6685 58.5138 32.0284 178.8195 87 L 4.2069 8.2537 119.1458 57.9702 41.7551 179.8506 88 R 3.9355 8.4320 118.4402 59.2589 29.9677 179.0946 89 S 4.1304 8.2855 113.1060 61.3605 62.3473 175.8727 90 D 4.2621 8.3686 121.7533 57.2528 40.5406 178.5258 91 L 4.0213 8.3095 120.7642 58.1302 42.0743 178.9429 92 A 4.0025 8.2452 120.8498 54.9585 18.3145 179.3352 93 L 3.8957 8.0706 118.9081 58.3696 42.1628 179.1012 94 E 4.0649 8.4303 118.6031 59.4885 29.5077 179.4046 95 L 4.0652 8.2110 119.1109 57.7485 41.5646 179.2365 96 D 4.4772 8.4065 119.1381 57.4655 40.8163 179.1891 97 G 3.6555 8.3537 105.9320 47.6074 0.0000 175.6852 98 A 4.0772 8.2595 123.1459 54.7792 18.3899 179.7291 99 K 3.8780 8.0033 116.9019 59.8703 32.1942 179.2319 100 N 4.3858 7.9977 116.2793 56.2805 38.4197 177.4998 101 L 4.0078 8.0912 120.3498 57.8423 41.7419 179.7070 102 R 3.9080 8.1551 118.0777 59.2508 30.0023 178.7250 103 E 3.8450 8.1293 118.7409 59.2572 29.5660 178.7822 104 A 2.8624 7.7326 120.7403 54.7681 18.3834 179.7205 105 I 3.7430 8.1999 119.0347 64.2839 37.2443 178.9213 106 G 3.5752 7.9896 106.6733 47.9524 0.0000 175.2213 107 Y 3.9729 7.9402 122.0315 60.1719 38.8084 177.5193 108 A 3.8177 8.2452 122.1438 55.1889 18.3671 179.0560 109 D 4.0352 7.7879 115.7728 57.6758 41.1166 178.5834 110 S 3.9794 7.4400 113.8601 61.1382 62.8242 176.2386 111 V 3.9914 6.8298 111.8184 60.6587 31.4812 175.9561 112 H 2.7974 7.2286 114.2598 56.7898 26.9023 176.3845 113 D 4.5311 7.3627 121.3619 53.5341 37.8957 176.1260 114 Y 4.2935 7.4721 121.2359 60.3764 38.5045 177.7479 115 V 3.6442 7.8643 119.1432 66.0099 31.7948 177.9940 116 S 4.1856 8.3316 114.9364 61.5743 62.6348 176.5786 117 R 3.8932 8.0371 121.2756 59.5766 29.9611 177.8362 118 D 4.3343 8.3881 117.9659 57.6442 41.1620 177.9636 119 M 3.9825 8.1051 118.4461 59.0868 32.2205 178.1832 120 M 4.1462 8.1248 118.7416 58.3249 32.0899 178.8631 121 I 3.7298 8.0286 120.2309 64.3830 37.2807 178.2725 122 E 3.9741 8.0785 119.1205 59.4853 29.1970 179.4990 123 I 3.5328 7.7314 119.8235 64.1802 37.0363 178.1657 124 L 3.9281 8.2956 121.6249 58.1318 41.8666 179.0131 125 R 3.8791 8.1102 118.5993 59.4923 30.0334 178.1623 126 D 4.3260 8.0308 118.6283 57.5562 40.7588 178.7466 127 E 3.9594 8.3632 119.1995 59.4313 29.4208 179.2539 128 E 4.1064 8.7100 119.2050 59.1937 29.4610 179.6157 129 G 3.6817 8.1527 105.9580 48.1406 0.0000 175.4796 130 H 4.5680 8.1316 118.7399 58.7384 28.7036 177.8034 131 I 3.8194 8.1952 121.8892 64.5112 36.9884 177.8164 132 D 4.3648 8.3647 118.6887 57.1707 41.0281 178.1074 133 W 4.1283 8.3757 128.6723 60.5106 30.7696 177.8658 134 L 3.7200 8.5806 119.2044 57.8608 41.1082 179.3679 135 E 3.9518 8.5449 118.8439 59.6805 29.3561 179.6520 136 T 3.7987 7.8882 115.6632 66.5839 68.5320 176.6140 137 E 3.7846 7.8267 120.5238 59.3162 29.0231 179.3878 138 L 3.7715 7.6608 118.8706 57.8856 41.6107 179.3616 139 D 4.3084 7.9907 118.7425 57.3441 40.6541 178.8627 140 L 3.9821 7.9269 119.5218 57.6548 41.5711 179.4585 141 I 3.3802 7.3863 119.8310 64.4245 36.7659 178.2619 142 Q 3.8982 7.3714 118.4774 59.0898 28.9669 178.0045 143 K 4.1455 8.1328 118.9831 58.7638 32.2595 178.3097 144 M 4.4182 8.3200 114.6175 53.8455 32.5500 177.0682 145 G 4.1195 7.6070 106.0295 46.0303 0.0000 174.4397 146 L 3.9802 8.3513 121.6158 57.9516 42.1128 179.4955 147 Q 3.9864 8.0153 117.5306 59.1811 28.7971 178.4239 148 N 4.3611 8.1266 116.9549 56.3418 38.3979 176.6233 149 Y 4.0026 7.9979 120.1568 60.7185 39.1046 178.0158 150 L 4.0592 8.3560 120.1770 57.7476 41.4163 178.9344 151 Q 3.8968 8.0797 119.3490 59.3567 28.7214 178.2429 152 A 4.0985 7.7955 118.9983 53.6480 18.6597 178.3027 153 Q 4.2434 7.8747 116.2801 55.8961 29.1766 177.4790 154 I 4.1475 7.2725 112.6172 62.0418 38.1828 176.3759 155 R 4.5581 7.5282 119.1740 54.0446 31.6813 175.9239 156 E 4.1805 8.5315 120.7554 56.7156 30.2226 175.3847 157 E 4.2873 8.5768 118.2087 57.6337 31.7697 176.0982 *158 G 3.7389 7.9373 110.3432 45.7442 0.0000 172.2579 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 8.26 4.16 0.00 1.31 1.77 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 2.42 0.00 2 K 8.51 4.21 0.00 1.66 1.61 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.08 7.81 3 G 8.53 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.43 4.62 0.00 2.85 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 5 T 8.87 3.86 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 3.82 0.00 1.72 1.97 0.00 1.41 0.00 0.00 1.15 0.00 0.00 2.14 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.88 1.02 7.81 7 V 8.49 3.92 2.34 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 1.23 0.00 0.00 1.13 0.00 0.00 8 I 8.01 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 0.92 0.00 0.00 9 N 8.34 4.26 0.00 2.66 2.67 0.00 0.00 7.02 6.99 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 10 Y 8.07 4.11 0.00 3.20 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.39 3.85 0.00 1.86 1.81 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.31 0.00 2.88 2.82 0.00 0.00 6.66 7.65 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 13 K 8.09 3.89 0.00 1.76 1.97 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.05 3.85 0.00 0.77 1.26 0.92 0.43 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 15 L 7.75 4.01 0.00 1.70 1.82 1.07 0.96 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 16 G 8.14 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 8.03 4.37 0.00 2.97 2.91 0.00 0.00 7.02 7.71 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 18 E 8.46 4.11 0.00 2.26 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 2.76 2.89 0.00 19 L 8.31 4.12 0.00 1.81 1.72 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.79 3.57 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 1.08 0.00 0.00 0.96 0.00 0.00 21 A 8.02 3.86 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 22 I 8.32 3.77 2.02 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 1.90 0.90 0.93 0.00 0.00 23 N 7.86 4.37 0.00 2.94 2.86 0.00 0.00 6.73 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 24 Q 8.25 3.83 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 25 Y 8.33 4.29 0.00 3.14 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 26 F 8.55 3.78 0.00 3.32 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 27 L 8.15 3.98 0.00 1.84 1.61 0.88 0.84 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 28 H 8.30 3.76 0.00 3.50 3.09 0.00 5.70 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 8.14 4.14 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 30 R 7.77 3.79 0.00 1.78 1.92 0.00 3.20 0.00 0.00 2.94 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 31 M 7.88 3.45 0.00 0.92 1.62 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 32 F 7.82 4.66 0.00 3.27 3.20 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 0.00 0.00 0.00 0.00 33 K 8.44 3.95 0.00 2.06 1.92 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 34 N 7.95 4.31 0.00 2.62 2.70 0.00 0.00 7.33 7.83 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 35 W 7.95 4.79 0.00 3.74 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 36 G 8.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.15 4.78 0.00 1.95 1.63 1.21 0.90 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 38 K 8.08 3.93 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.76 7.81 39 R 8.25 3.87 0.00 2.05 2.07 0.00 3.09 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 1.68 1.70 0.00 40 L 7.77 4.06 0.00 1.44 0.79 0.46 0.69 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 41 N 8.35 4.52 0.00 3.08 3.02 0.00 0.00 7.21 7.89 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 42 D 8.28 4.29 0.00 2.86 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 43 V 7.70 3.33 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.74 0.00 0.00 44 E 8.41 3.78 0.00 2.37 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 0.00 2.57 3.12 0.00 45 Y 8.24 3.80 0.00 2.85 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 46 H 8.20 4.08 0.00 3.18 3.23 0.00 5.87 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 47 E 8.10 3.52 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.71 0.00 48 S 7.78 4.16 0.00 3.94 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 7.53 3.55 1.80 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 0.94 0.12 0.83 0.00 0.00 50 D 8.21 4.25 0.00 2.81 2.64 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 51 E 8.13 4.25 0.00 2.20 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 0.00 2.77 2.67 0.00 52 M 8.25 4.05 0.00 2.02 2.23 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 2.81 2.57 0.00 53 K 8.13 3.94 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.62 7.81 54 H 8.18 4.09 0.00 3.54 3.33 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 8.36 4.23 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 8.27 4.30 0.00 2.91 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 7.92 3.87 0.00 1.81 1.79 0.00 3.13 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 58 Y 7.88 4.27 0.00 3.23 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 8.15 3.78 2.07 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 0.96 0.95 0.00 0.00 60 E 8.49 4.03 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 2.60 0.00 61 R 8.29 4.04 0.00 2.08 2.21 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.25 3.77 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.64 0.99 0.00 0.00 63 L 8.17 4.02 0.00 1.92 1.78 0.99 0.86 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 64 F 8.25 4.37 0.00 2.96 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 65 L 8.00 4.72 0.00 1.73 1.61 0.99 0.61 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 7.92 3.63 0.00 2.08 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 2.24 0.00 67 G 7.98 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 0.00 0.00 0.00 68 L 8.00 4.56 0.00 1.61 1.62 0.91 1.00 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 69 P 0.00 4.35 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.27 4.69 0.00 2.63 2.72 0.00 0.00 7.12 7.34 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 71 L 8.36 4.63 0.00 1.63 1.64 0.94 0.97 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 72 Q 8.53 4.12 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.15 4.60 0.00 2.69 2.59 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 74 L 8.30 4.54 0.00 1.55 1.53 0.91 1.09 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 75 G 8.52 3.85 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 0.00 0.00 0.00 76 K 8.29 4.14 0.00 1.79 1.62 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.03 7.81 77 L 8.24 4.39 0.00 1.60 1.58 0.90 0.93 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 78 N 8.88 4.82 0.00 2.59 2.69 0.00 0.00 7.19 8.61 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 79 I 8.42 3.76 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.92 0.00 0.00 80 G 8.24 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.75 4.82 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 2.30 2.26 0.00 82 D 7.77 4.95 0.00 2.84 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 8.40 4.06 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 1.18 0.00 0.00 1.26 0.00 0.00 84 E 8.22 3.89 0.00 2.00 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 2.34 2.32 0.00 85 E 8.69 4.00 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.80 0.00 86 M 8.29 4.05 0.00 1.66 2.40 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 87 L 8.25 4.21 0.00 1.72 1.75 0.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.43 3.94 0.00 2.04 1.99 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 89 S 8.29 4.13 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.37 4.26 0.00 3.07 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 8.31 4.02 0.00 1.82 1.87 0.99 1.00 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 92 A 8.25 4.00 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 93 L 8.07 3.90 0.00 1.84 1.77 0.90 0.73 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 8.43 4.06 0.00 2.28 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 2.61 2.73 0.00 95 L 8.21 4.07 0.00 1.86 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.41 4.48 0.00 2.87 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 8.35 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.26 4.08 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 99 K 8.00 3.88 0.00 2.04 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.69 7.81 100 N 8.00 4.39 0.00 2.93 2.91 0.00 0.00 7.09 8.09 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 0.00 101 L 8.09 4.01 0.00 1.90 1.74 0.97 0.95 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 0.00 102 R 8.16 3.91 0.00 2.00 1.98 0.00 3.14 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 1.66 1.85 0.00 103 E 8.13 3.85 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 2.26 2.36 0.00 104 A 7.73 2.86 1.10 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 0.00 105 I 8.20 3.74 2.01 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 1.04 0.91 0.00 0.00 106 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.94 3.97 0.00 3.12 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 0.00 108 A 8.25 3.82 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.79 4.04 0.00 2.74 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 0.00 110 S 7.44 3.98 0.00 3.72 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 0.00 111 V 6.83 3.99 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 0.39 0.00 0.00 0.72 0.00 0.00 112 H 7.23 2.80 0.00 3.16 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.36 4.53 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.47 4.29 0.00 3.10 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 7.86 3.64 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.33 4.19 0.00 4.22 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 0.00 117 R 8.04 3.89 0.00 1.91 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 118 D 8.39 4.33 0.00 2.99 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 0.00 119 M 8.11 3.98 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 120 M 8.12 4.15 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.84 0.00 121 I 8.03 3.73 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.91 0.00 0.00 122 E 8.08 3.97 0.00 2.17 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 2.32 2.53 0.00 123 I 7.73 3.53 1.92 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.73 0.00 0.00 124 L 8.30 3.93 0.00 1.83 1.85 0.94 0.73 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 0.00 125 R 8.11 3.88 0.00 1.93 2.09 0.00 3.15 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 1.68 0.00 126 D 8.03 4.33 0.00 2.95 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 0.00 127 E 8.36 3.96 0.00 2.12 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 0.00 2.62 2.55 0.00 128 E 8.71 4.11 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 129 G 8.15 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.13 4.57 0.00 3.53 3.56 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 8.20 3.82 2.11 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 1.50 0.96 0.97 0.00 0.00 132 D 8.36 4.36 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.38 4.13 0.00 3.54 3.48 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 0.00 134 L 8.58 3.72 0.00 1.98 1.78 1.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.54 3.95 0.00 2.12 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 2.58 0.00 136 T 7.89 3.80 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 1.17 0.00 0.00 137 E 7.83 3.78 0.00 1.52 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.66 3.77 0.00 1.74 1.62 0.89 0.81 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 0.00 139 D 7.99 4.31 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.93 3.98 0.00 1.90 1.84 0.95 0.67 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 0.00 141 I 7.39 3.38 1.70 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.21 0.69 0.00 0.00 142 Q 7.37 3.90 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.13 4.15 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 144 M 8.32 4.42 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 145 G 7.61 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.35 3.98 0.00 1.74 1.66 0.94 0.88 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 0.00 147 Q 8.02 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.13 4.36 0.00 2.93 2.88 0.00 0.00 6.70 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 8.00 4.00 0.00 2.99 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 0.00 150 L 8.36 4.06 0.00 1.72 1.69 0.88 1.18 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 0.00 151 Q 8.08 3.90 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 A 7.80 4.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.87 4.24 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 154 I 7.27 4.15 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.91 0.00 0.00 155 R 7.53 4.56 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 156 E 8.53 4.18 0.00 1.94 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 2.49 2.28 0.00 157 E 8.58 4.29 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 *158 G 7.94 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.