NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.8501 8.2893 120.2227 54.7315 32.9657 174.9343 2 K 3.7366 8.2196 125.9849 55.3755 32.1483 171.1153 3 V 3.9917 7.8823 125.2453 62.1789 32.7826 176.8258 4 T 4.4934 9.0105 116.9595 61.2885 70.2382 174.0927 5 K 4.7461 7.7267 123.8960 55.1995 35.9134 174.8017 6 S 5.6588 8.7507 119.7248 58.5659 65.6204 173.7658 7 E 4.9258 8.6156 120.2554 54.9191 32.4004 174.4649 8 I 3.6466 8.5258 122.6250 61.4832 38.1133 175.3232 9 V 4.4372 8.9305 128.6201 63.9260 33.7817 175.5973 10 I 4.4871 7.4871 111.2017 59.8706 40.8037 174.2765 11 S 5.2451 8.9574 120.3649 56.1211 63.8035 172.5530 12 A 4.4539 9.5013 127.7824 51.2418 19.3588 177.9752 13 V 4.0624 8.6258 121.7991 63.0526 32.7204 175.5176 14 K 4.6310 7.4641 117.2880 54.9873 35.3884 174.9324 15 P 2.0000 0.0000 0.0000 65.1167 31.1475 178.3735 16 E 3.8796 7.7830 117.2944 58.8105 29.4491 177.7215 17 Q 4.1591 7.6616 116.4887 56.9949 29.2985 175.9653 18 Y 3.9183 6.9900 115.5996 57.4080 38.4717 174.7141 19 P 4.2820 0.0000 0.0000 62.6307 32.2140 176.2973 20 E 4.3460 8.1972 120.2796 54.9471 31.3170 175.4021 21 G 4.0102 9.2443 106.6950 44.9228 0.0000 174.9113 22 G 3.9441 8.1944 105.6842 46.1591 0.0000 173.5600 23 L 4.4110 7.8505 118.6056 53.3007 42.5701 175.3157 24 P 4.6669 0.0000 0.0000 63.6700 32.5000 174.7321 25 E 5.4317 9.3873 120.0721 54.7931 33.8974 174.9051 26 I 5.0152 8.8895 123.2783 59.6642 40.4488 174.6293 27 A 4.9302 8.7442 129.3912 50.7339 21.1689 175.6066 28 L 5.1047 8.7160 119.8548 52.8743 44.9505 175.7711 29 A 4.9871 8.9326 124.3406 50.2716 23.4029 174.9907 30 G 3.8483 7.8989 105.6970 45.8249 0.0000 172.8092 31 R 3.8418 7.1348 118.4199 55.3435 30.6339 176.9523 32 S 4.0508 8.1182 117.8603 60.3175 63.1878 174.4225 33 N 4.2629 8.7630 121.0148 53.9893 37.2217 175.2796 34 V 3.6401 7.4851 117.5514 63.4888 31.8923 176.6905 35 G 4.2162 8.2196 110.4595 45.7863 0.0000 175.9965 36 K 3.8127 8.4555 122.4893 59.2047 32.2262 178.4358 37 S 4.0692 7.9505 114.1095 61.6066 62.9307 176.3749 38 S 4.1118 8.0300 118.2979 61.1477 62.5942 176.2910 39 F 4.0073 8.2464 123.3188 61.2312 39.2153 177.0842 40 I 3.4306 7.9505 119.5987 64.6663 36.9350 178.2278 41 N 4.3798 8.3291 117.1490 56.2713 38.3778 177.7896 42 S 4.1484 8.0023 116.7140 61.6969 62.7725 176.7459 43 L 4.2789 7.5800 120.6056 56.7381 41.3482 178.5056 44 I 4.3991 7.4688 109.7125 59.4072 39.3930 175.0345 45 N 4.3522 7.7871 116.0893 54.3548 37.2277 172.8534 46 R 4.6459 8.9177 121.6177 56.6264 32.3674 177.0454 *60 Q 4.4274 9.2867 123.5956 56.3416 30.4152 174.7745 61 T 4.9435 7.5630 107.2639 60.1248 72.5353 173.2172 62 L 4.3115 8.9218 123.7554 54.2287 42.6805 175.4192 63 N 5.3824 8.5839 121.9719 51.7389 40.7481 174.0127 64 F 5.1351 9.3639 123.8902 56.3736 41.0739 174.4324 65 Y 5.0664 9.6422 122.4819 56.1149 40.4701 174.8616 66 I 4.3770 8.6681 125.8965 60.7009 39.6608 174.3606 67 I 4.7383 8.9526 130.4969 60.0303 39.5825 175.4146 68 N 4.1954 9.6047 124.3797 53.9418 36.7187 173.8415 69 D 4.4969 8.3299 113.3435 55.2198 38.5603 174.1002 70 E 4.8363 8.4955 116.2329 55.8738 31.4236 174.9812 71 L 4.7128 7.6159 119.0141 55.2969 44.2723 173.3838 72 H 5.5705 9.0021 116.5756 54.2547 31.7653 173.5669 73 F 5.4569 9.4441 122.5102 57.0800 40.7438 175.0926 74 V 4.2417 8.9183 123.5728 60.9722 33.5347 173.5508 75 D 4.7762 9.0970 129.6724 53.4228 42.2396 175.0495 76 V 4.3581 8.4375 127.3206 60.7495 32.6068 174.0665 77 P 4.3726 0.0000 0.0000 62.6324 31.8579 176.4072 78 G 3.6228 8.6443 111.0915 46.1775 0.0000 172.1954 79 Y 4.0339 7.7612 120.1870 55.4553 40.2688 176.7601 80 G 3.9056 8.5523 106.4061 46.4829 0.0000 173.4182 81 F 4.5532 7.8285 121.8069 56.9778 38.8040 175.0831 82 A 3.8897 8.0818 131.7777 53.9691 19.0677 177.6623 83 K 4.0595 6.0770 119.3774 54.6967 30.7677 175.9626 84 V 4.5371 6.7166 118.7301 58.7024 35.3119 176.9346 85 S 4.3572 8.7805 116.7550 58.1289 64.9975 175.6604 86 K 3.9924 8.5363 122.7635 59.6948 31.7765 179.7611 87 S 4.1868 8.0371 114.1028 61.4887 62.8303 176.3460 88 E 4.0045 8.3246 122.2557 59.1122 29.1692 179.1930 89 R 3.9323 8.1284 118.8320 59.3187 30.1441 178.2018 90 E 3.9404 8.4137 118.8757 59.2861 29.6271 178.5721 91 A 4.0341 8.3049 121.0216 54.9256 18.4634 179.3440 92 W 4.0961 8.7121 127.2644 60.5368 30.7955 178.3666 93 G 3.6606 8.6087 105.7384 47.8711 0.0000 175.7834 94 R 3.8947 8.0745 120.7403 59.0537 30.1489 178.5520 95 M 3.9413 8.0490 118.0221 58.9678 32.1096 178.1852 96 I 3.5841 7.2401 118.3929 63.8238 38.0335 177.6291 97 E 4.1847 8.1351 119.5443 59.7189 29.4357 179.3266 98 T 3.8393 8.3310 116.0484 66.8551 68.5705 175.7558 99 Y 4.1094 8.1429 121.0766 61.0106 38.6345 178.1578 100 I 3.5742 8.0058 119.8679 64.5657 37.3670 178.1117 101 T 3.8310 7.6292 108.6838 63.0423 69.0035 175.2724 102 T 4.2843 7.3707 109.1112 61.1576 70.2003 174.0460 103 R 4.0553 7.5522 123.7763 55.3020 29.4763 176.6159 104 E 4.0253 8.6213 126.3512 59.3594 29.8897 178.4902 105 E 4.1699 8.0566 117.6327 58.4767 30.7615 176.9193 106 L 4.4332 7.4240 122.0139 55.3717 41.7787 176.7103 107 K 4.5407 8.8973 125.8553 57.5715 34.0683 176.2915 108 A 4.6295 7.5042 118.4191 51.2120 22.6089 175.1051 109 V 4.7319 8.3416 119.5634 61.0671 34.4877 174.8198 110 V 4.3192 8.9075 128.6493 62.0409 32.5929 174.2265 111 Q 4.8596 8.7915 130.7157 54.7664 30.5919 174.0294 112 I 4.6703 8.5061 128.3355 59.7865 38.7533 175.5909 113 V 4.4935 8.8659 119.4753 59.2665 36.3788 174.1388 114 D 4.7622 8.4142 121.7861 53.3791 41.4396 176.6535 115 L 3.9631 8.6746 129.5070 58.2580 42.0909 178.4649 116 R 4.0548 8.3006 117.4998 58.7996 30.1517 176.0230 117 H 5.0021 7.6757 112.2273 53.0929 32.7073 172.9329 118 A 4.1085 8.4499 123.6485 51.5596 18.7306 176.0845 119 P 4.4090 0.0000 0.0000 62.9992 32.1065 177.1386 120 S 4.5711 8.8783 116.9086 57.4779 65.5733 175.1243 121 N 4.3024 8.6230 118.7025 56.7183 37.9471 177.3085 122 D 4.2569 8.0750 119.6622 57.3395 40.8722 178.4066 123 D 4.6752 8.0169 120.5111 56.9088 40.8467 178.9881 124 V 3.6551 7.9971 118.8126 66.0256 31.5022 177.7790 125 Q 3.9726 8.3356 119.5557 59.3651 28.8279 178.0035 126 M 4.0533 8.0532 119.1706 58.7750 32.3159 177.5090 127 Y 4.1049 8.3902 119.9733 60.9016 39.0181 177.9388 128 E 3.9435 8.7686 119.9338 59.1962 29.3852 179.1440 129 F 4.2211 8.4789 120.7689 61.3897 39.4761 177.1970 130 L 3.7017 8.1355 118.6603 57.7487 41.3251 179.7749 131 K 3.8035 7.8428 118.3463 59.2205 31.6587 178.7032 132 Y 3.8723 7.7065 119.3170 60.4278 38.6353 176.9085 133 Y 4.5239 7.2408 114.9651 56.8085 38.2034 175.5210 134 G 3.8222 7.8012 107.6296 46.6046 0.0000 173.9228 135 I 4.2191 7.6252 120.7024 59.0560 38.2423 174.6961 136 P 4.4260 0.0000 0.0000 62.7864 32.5672 175.4291 137 V 4.9154 9.1518 123.0466 61.1868 35.2856 174.2194 138 I 4.5207 8.7341 128.6020 59.6243 39.2350 174.7803 139 V 4.3363 8.9508 129.0768 62.1287 32.9612 174.6497 140 I 4.7186 8.6028 129.1528 59.5455 39.4927 174.5668 141 A 4.9047 8.8792 130.4373 50.9590 20.2480 175.8817 142 T 5.2959 8.5432 117.9633 61.1967 70.5839 175.0934 143 K 4.0876 8.8148 118.5087 57.3303 29.6910 177.7882 144 A 3.9659 7.9962 124.7814 55.1501 18.2924 180.3672 145 D 4.6765 8.0701 114.0406 55.8205 39.5799 177.2286 146 K 4.3203 8.0995 118.1163 56.8684 32.4716 176.5706 147 I 4.5781 7.4785 120.1392 58.3015 40.0683 173.8015 148 P 4.1497 0.0000 0.0000 62.3368 32.1028 177.1787 149 K 2.0000 8.2124 122.6936 58.9486 31.5250 178.8837 150 G 3.6626 7.6058 103.3359 46.0985 0.0000 174.3587 151 K 4.5116 8.0256 119.7955 55.8136 32.9903 177.7985 152 W 4.6013 7.7734 120.6788 60.1790 29.0261 177.6938 153 D 4.3768 8.2736 117.1669 57.0699 40.8561 177.7562 154 K 3.8982 8.1571 119.6552 60.2165 32.2628 178.3375 155 H 4.1677 8.5696 115.9941 58.6991 28.4943 177.7824 156 A 4.0097 8.4116 122.9874 54.8740 18.1173 179.5484 157 K 3.8614 8.2817 118.3242 59.5618 32.2758 179.1675 158 V 3.5338 7.6894 118.2241 65.9296 31.4511 178.0782 159 V 3.5242 7.6728 117.8637 65.9786 31.3692 177.7487 160 R 3.7715 8.1895 118.6625 59.8366 29.7020 178.5627 161 Q 4.0591 8.0697 116.2764 58.9228 28.7050 178.5889 162 T 4.0449 7.7763 116.3432 66.6271 68.6824 176.6250 163 L 4.0248 7.6998 119.0033 54.7575 42.8361 176.2937 164 N 4.1477 7.8611 116.2846 54.2795 37.3072 174.6048 165 I 3.6555 7.3344 118.5775 61.2071 38.3072 176.3771 166 D 4.5141 9.4579 126.1191 53.6285 41.5280 175.4527 167 P 4.3101 0.0000 0.0000 65.1655 31.3646 176.8374 168 E 4.2242 9.1403 117.8909 57.3879 29.8059 175.9517 169 D 4.8643 7.9356 119.4242 53.3684 42.8918 175.0171 170 E 4.7756 8.6369 119.3701 54.4190 33.0450 174.3102 171 L 5.1679 8.4940 126.3546 53.3914 44.6699 175.3587 172 I 4.6008 8.9145 127.3798 59.3493 40.3502 175.0230 173 L 4.6033 8.4830 126.9931 54.5644 42.5659 176.0334 174 F 4.9419 9.0535 124.1796 56.8633 43.8933 173.1785 175 S 4.8638 7.5740 117.5741 57.0078 64.9978 175.0438 176 S 4.4626 9.0981 122.6788 60.1175 63.3209 175.4036 177 E 4.0425 8.3221 121.1276 59.0187 29.4562 177.3244 178 T 4.2700 7.5619 105.0443 60.6250 69.6747 175.2068 179 K 3.6147 8.0978 121.1744 56.3699 30.7266 175.4642 180 K 3.8055 7.0648 121.4897 58.1508 32.5367 177.6723 181 G 4.0700 8.8053 113.8847 45.5552 0.0000 175.0637 182 K 4.0574 7.8949 120.8850 59.9622 32.0999 178.2640 183 D 4.5122 8.1317 118.3979 57.4752 40.8771 178.2958 184 E 3.9994 8.2993 119.0889 59.1249 29.6453 178.5625 185 A 4.0399 8.7361 121.1656 55.0023 18.4498 179.5616 186 W 4.3602 8.4838 117.7825 60.0129 29.1581 178.7933 187 G 3.8118 8.7646 105.8049 48.0243 0.0000 175.5311 188 A 4.0813 8.2978 123.0400 54.9297 18.3285 179.7138 189 I 3.7255 8.0948 118.4632 64.4884 37.1925 178.7863 190 K 4.0818 8.5454 119.4028 59.4813 31.7115 179.4760 191 K 4.0102 7.8812 117.3979 59.8260 32.0058 178.9576 192 M 4.2489 8.4009 119.1282 58.6241 31.6789 178.9955 193 I 3.8935 8.1168 119.0914 63.4478 37.2391 177.1452 194 N 4.9591 7.7844 115.5551 52.9615 39.3220 175.2209 195 R 4.1203 7.5884 125.5280 56.6572 30.1242 176.6116 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 8.29 3.85 0.00 0.51 1.04 0.00 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 2 K 8.22 3.74 0.00 1.86 1.75 0.00 1.37 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.31 1.42 7.81 3 V 7.88 3.99 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 0.87 0.00 0.00 0.87 0.00 0.00 4 T 9.01 4.49 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 1.16 0.00 0.00 5 K 7.73 4.75 0.00 1.79 1.60 0.00 1.77 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 6 S 8.75 5.66 0.00 3.94 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 7 E 8.62 4.93 0.00 2.06 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 0.00 2.28 2.30 0.00 8 I 8.53 3.65 1.55 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.31 0.85 0.00 0.00 9 V 8.93 4.44 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 0.84 0.00 0.00 0.98 0.00 0.00 10 I 7.49 4.49 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.52 0.84 0.00 0.00 11 S 8.96 5.25 0.00 3.77 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 12 A 9.50 4.45 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.63 4.06 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 0.90 0.00 0.00 0.96 0.00 0.00 14 K 7.46 4.63 0.00 1.84 1.80 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.32 7.81 15 P 0.00 2.00 0.00 1.86 2.00 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 16 E 7.78 3.88 0.00 1.87 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 2.23 2.23 0.00 17 Q 7.66 4.16 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 18 Y 6.99 3.92 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 19 P 0.00 4.28 0.00 2.04 1.83 0.00 2.71 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.00 20 E 8.20 4.35 0.00 1.97 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 2.27 2.28 0.00 21 G 9.24 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 0.00 0.00 0.00 22 G 8.19 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 23 L 7.85 4.41 0.00 1.62 1.78 0.96 1.10 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 24 P 0.00 4.67 0.00 2.19 2.25 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 25 E 9.39 5.43 0.00 2.03 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 2.46 2.61 0.00 26 I 8.89 5.02 2.19 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 1.36 1.28 0.86 0.00 0.00 27 A 8.74 4.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.72 5.10 0.00 1.36 1.34 0.53 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.93 4.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.90 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 31 R 7.13 3.84 0.00 1.68 1.69 0.00 3.16 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 32 S 8.12 4.05 0.00 3.70 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 4.26 0.00 2.70 2.84 0.00 0.00 7.11 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 34 V 7.49 3.64 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 0.66 0.00 0.00 0.90 0.00 0.00 35 G 8.22 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 0.00 0.00 0.00 0.00 36 K 8.46 3.81 0.00 1.69 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.38 7.81 37 S 7.95 4.07 0.00 4.07 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 38 S 8.03 4.11 0.00 4.10 4.02 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 39 F 8.25 4.01 0.00 2.85 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 40 I 7.95 3.43 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.74 0.00 0.00 41 N 8.33 4.38 0.00 2.72 2.78 0.00 0.00 7.12 8.21 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 42 S 8.00 4.15 0.00 4.16 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 43 L 7.58 4.28 0.00 1.36 1.67 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.32 0.00 0.00 0.92 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.56 1.18 7.81 132 Y 7.71 3.87 0.00 2.84 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 0.00 133 Y 7.24 4.52 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 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 0.00 135 I 7.63 4.22 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.90 0.00 0.00 136 P 0.00 4.43 0.00 2.20 1.98 0.00 3.52 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 137 V 9.15 4.92 2.50 0.00 0.00 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 1.01 0.00 0.00 138 I 8.73 4.52 1.80 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 1.12 0.57 0.86 0.00 0.00 139 V 8.95 4.34 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 0.68 0.00 0.00 0.81 0.00 0.00 140 I 8.60 4.72 1.31 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 0.78 -0.04 0.49 0.00 0.00 141 A 8.88 4.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.54 5.30 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 1.24 0.00 0.00 143 K 8.81 4.09 0.00 2.03 1.89 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.44 7.81 144 A 8.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.07 4.68 0.00 2.86 2.88 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 0.00 146 K 8.10 4.32 0.00 1.84 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.60 7.81 147 I 7.48 4.58 2.22 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.89 0.00 0.00 148 P 0.00 4.15 0.00 2.04 1.85 0.00 3.56 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 2.06 2.02 0.00 149 K 8.21 2.00 0.00 0.79 1.22 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.53 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.02 0.27 7.81 150 G 7.61 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 0.00 151 K 8.03 4.51 0.00 1.89 1.85 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.52 7.81 152 W 7.77 4.60 0.00 3.50 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 0.00 153 D 8.27 4.38 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.90 0.00 1.91 2.11 0.00 1.80 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 155 H 8.57 4.17 0.00 3.29 3.53 0.00 5.67 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 0.00 156 A 8.41 4.01 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 0.00 157 K 8.28 3.86 0.00 1.95 1.99 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 158 V 7.69 3.53 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 0.92 0.00 0.00 0.94 0.00 0.00 159 V 7.67 3.52 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 0.86 0.00 0.00 0.94 0.00 0.00 160 R 8.19 3.77 0.00 1.92 2.05 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 161 Q 8.07 4.06 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 162 T 7.78 4.04 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 1.27 0.00 0.00 163 L 7.70 4.02 0.00 1.29 1.04 0.60 1.03 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 0.00 164 N 7.86 4.15 0.00 2.89 2.91 0.00 0.00 7.20 8.07 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 0.00 165 I 7.33 3.66 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.37 0.90 0.00 0.00 166 D 9.46 4.51 0.00 2.82 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 0.00 167 P 0.00 4.31 0.00 2.23 2.19 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 168 E 9.14 4.22 0.00 2.15 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 2.32 2.28 0.00 169 D 7.94 4.86 0.00 2.83 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 0.00 170 E 8.64 4.78 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 171 L 8.49 5.17 0.00 1.57 1.48 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 172 I 8.91 4.60 1.88 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 1.42 0.67 1.02 0.00 0.00 173 L 8.48 4.60 0.00 1.19 1.15 0.65 0.70 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 0.00 174 F 9.05 4.94 0.00 3.07 2.77 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 0.00 175 S 7.57 4.86 0.00 3.79 3.43 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 0.00 176 S 9.10 4.46 0.00 4.02 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 0.00 177 E 8.32 4.04 0.00 1.91 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 2.30 2.36 0.00 178 T 7.56 4.27 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 1.22 0.00 0.00 179 K 8.10 3.61 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.48 7.81 180 K 7.06 3.81 0.00 1.59 1.41 0.00 1.30 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.27 1.20 7.81 181 G 8.81 4.07 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 0.00 0.00 0.00 182 K 7.89 4.06 0.00 1.94 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.67 1.67 7.81 183 D 8.13 4.51 0.00 2.79 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 0.00 184 E 8.30 4.00 0.00 2.08 2.01 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 2.43 2.42 0.00 185 A 8.74 4.04 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 0.00 186 W 8.48 4.36 0.00 3.57 3.23 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 0.00 187 G 8.76 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 0.00 0.00 0.00 188 A 8.30 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 8.09 3.73 2.24 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 1.18 0.00 0.00 190 K 8.55 4.08 0.00 2.10 1.94 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.85 7.81 191 K 7.88 4.01 0.00 1.95 1.91 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.71 7.81 192 M 8.40 4.25 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.92 0.00 193 I 8.12 3.89 1.96 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 1.62 0.77 0.97 0.00 0.00 194 N 7.78 4.96 0.00 2.73 2.83 0.00 0.00 7.05 7.27 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 0.00 195 R 7.59 4.12 0.00 1.98 1.86 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.