NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.3892 8.4249 119.1279 53.6777 39.8877 173.6771 3 F 4.7324 8.4541 123.9538 56.5134 39.2488 173.8175 4 A 4.2303 7.9134 123.9070 54.4011 19.1116 178.8169 5 G 4.0020 9.1168 110.9801 45.0904 0.0000 172.9452 6 K 4.7340 8.1209 119.8344 55.1125 34.6873 175.1405 7 H 5.3631 9.5908 125.1169 54.9065 31.3591 173.2247 8 V 4.7642 8.9620 127.2840 61.0047 33.7319 174.7957 9 G 4.1547 8.8106 115.8030 45.4748 0.0000 173.5181 10 F 4.6514 9.6424 125.2995 56.1644 41.7101 173.0747 11 G 4.7763 9.0725 113.9579 44.4783 0.0000 170.3728 12 L 5.1889 8.4561 123.5782 52.7847 43.8157 175.8864 13 T 4.5148 8.4549 113.4636 60.7973 71.8530 175.1971 14 G 3.7647 8.5868 108.5814 44.3319 0.0000 172.6983 15 S 3.9238 8.2502 112.9574 58.2257 63.1441 175.8861 16 H 2.5800 8.1540 124.2984 58.1058 28.4106 176.3250 17 C 4.4027 7.1157 112.0633 58.6363 29.8275 174.5895 18 T 4.3275 7.2695 111.2900 62.4622 68.8635 175.1474 19 Y 4.6014 7.0791 118.4390 59.3032 37.9280 176.6120 20 H 4.4246 8.1220 116.5979 58.0118 28.9009 176.6216 21 E 4.1665 7.4539 119.2002 58.2004 30.0148 178.1600 22 V 4.3596 7.5678 111.8312 62.0980 33.1086 177.6577 23 L 3.8536 7.9422 118.3754 57.2712 41.7384 176.8416 24 P 4.4140 0.0000 0.0000 65.5313 31.7305 177.2127 25 Q 4.4103 7.9980 117.5281 56.3569 28.8354 177.8413 *27 E 4.2169 8.3602 120.0588 56.3675 31.5925 177.6084 28 R 4.1345 8.0979 117.6428 59.3619 30.0547 178.9868 29 L 4.1341 8.0497 118.6940 57.9212 41.6656 179.7763 30 V 3.9436 7.6851 118.9590 65.6234 31.3130 177.8022 31 E 4.0852 8.2780 117.5017 59.0152 29.6207 178.3829 32 L 4.3892 8.2475 117.5342 54.8959 41.6525 178.1241 33 G 4.0931 8.0889 107.2260 44.7266 0.0000 174.1419 34 A 4.5343 8.3165 122.2972 51.6680 20.0366 176.9135 35 K 4.4637 9.2679 123.1617 55.6811 33.3599 175.6745 36 V 4.8910 8.4331 128.1179 61.6294 33.3844 174.6898 37 T 4.5760 8.8664 125.5894 61.5116 70.2555 172.4615 38 P 5.1507 0.0000 0.0000 62.3218 33.1373 175.3036 39 F 5.2695 9.3263 122.2682 55.9079 42.1903 174.7971 40 V 4.9803 8.7631 115.4546 60.1169 35.4767 175.6231 41 T 4.2724 8.7381 110.4030 62.8780 69.5173 174.1281 42 H 5.0238 7.7886 117.3080 53.8049 33.0411 172.8665 43 T 4.1187 8.5158 117.3702 64.4292 68.5597 175.0141 44 V 3.9916 8.6992 124.6735 64.3046 32.0423 176.0418 45 Q 4.5137 7.8076 119.2103 55.7115 32.7942 174.6694 46 T 4.6159 8.1355 113.3732 58.9737 70.9125 174.7419 47 T 3.9460 8.6575 119.0340 68.7156 68.5096 176.5926 48 D 4.5077 8.0216 118.8154 55.9768 40.1526 179.7173 49 T 3.9443 7.7441 117.8515 64.5286 69.0296 174.7113 50 K 4.4923 8.6706 129.1420 53.2831 33.7657 175.1308 *51 F 3.8702 8.0627 114.8367 60.5659 38.0438 178.0734 52 G 4.2298 7.6779 108.5118 45.1816 0.0000 174.3018 53 E 4.1634 8.1876 122.0521 57.8034 29.9000 178.0180 54 S 4.1761 7.8426 113.7342 57.9349 63.5786 174.4344 55 S 4.3292 8.6378 122.4036 58.9838 63.6198 175.5783 56 E 4.0076 9.0948 122.5044 61.2419 29.2771 180.3267 57 W 4.5987 8.5148 117.3584 59.7397 27.8556 178.2969 58 I 2.9066 6.2140 120.2784 63.8291 36.4577 177.8662 59 N 4.1866 7.9134 116.6911 56.4622 38.2252 177.3061 60 K 3.9277 8.2546 119.7416 59.5432 32.1582 179.2855 61 I 3.6512 7.8676 120.0341 64.5402 36.8525 178.7044 62 K 4.1320 7.8308 117.5028 59.1223 31.8618 179.0012 63 Q 4.1496 7.7600 117.6089 58.0672 28.7429 177.9439 64 I 3.9945 7.1837 120.4640 62.7102 37.9099 176.1847 65 T 4.5874 7.5988 114.0683 61.1685 70.2921 173.8138 66 E 4.3843 8.6326 122.1228 55.9425 30.4863 175.6312 67 E 4.1155 7.7743 118.3602 56.4646 29.9322 175.2847 68 P 4.1964 0.0000 0.0000 62.7755 31.8937 176.1942 69 I 3.6986 8.1687 123.8477 61.3208 37.5036 175.8959 70 V 3.8232 8.7182 126.8966 61.9813 30.6407 175.2112 71 D 5.3779 8.4504 126.4063 52.5869 41.0430 175.6036 72 S 4.1653 7.3404 118.9150 58.4442 65.7091 176.2393 *74 V 4.0345 8.5506 115.5249 62.6868 32.6234 176.6991 75 K 4.1586 8.0154 117.4860 58.9328 32.3247 178.7803 76 A 4.5232 8.0670 120.5358 54.6896 18.4724 179.1344 77 E 4.0145 8.3148 117.6366 59.0702 29.7056 177.0499 78 P 4.3714 0.0000 0.0000 64.7469 31.5394 177.8013 79 F 4.6727 7.7167 117.3427 59.1527 38.5035 176.5124 80 G 3.9327 8.2375 106.6819 45.7364 0.0000 172.9441 81 P 4.4943 0.0000 0.0000 63.4129 32.8414 177.5182 82 K 4.3098 8.1160 116.7829 57.6919 33.7986 176.7947 83 T 4.5993 7.6345 107.5378 59.1457 68.1570 171.5002 84 P 5.0980 0.0000 0.0000 62.7680 32.6814 177.2172 85 L 4.3317 8.3290 120.9318 54.6880 42.3976 176.9800 86 D 4.5172 8.6482 121.5166 57.5400 41.4663 175.7768 87 C 4.9333 7.3793 116.6000 59.6982 35.5361 172.1502 *89 V 4.0143 8.2188 115.7440 62.9982 32.8995 175.8100 90 I 4.7938 8.2445 127.3102 59.7213 39.7888 174.4498 91 A 4.7724 8.5194 128.9741 49.5859 22.0484 175.5900 92 P 5.0576 0.0000 0.0000 62.0737 34.2457 175.5403 *94 T 4.5753 7.9621 108.1918 61.0989 70.2291 175.2812 95 G 3.6736 8.4428 108.9388 47.2833 0.0000 175.3246 96 N 4.3112 8.0742 118.9861 56.6902 39.0356 176.9783 97 S 4.1608 8.0388 116.5049 61.8145 62.8020 176.7970 98 T 4.0245 8.4544 121.3150 67.5814 68.0383 177.4409 99 S 4.2501 8.0594 118.8917 62.6037 62.5282 178.1770 100 K 4.3452 8.1440 120.5900 59.7317 31.8379 179.0645 101 F 4.3954 8.5976 120.9907 61.5240 39.1473 177.0979 102 A 3.8897 8.1449 118.7464 54.1343 18.1195 178.2824 103 N 4.8647 7.5101 112.4270 51.6513 39.3998 171.7482 104 A 3.4238 7.5578 129.8091 52.2677 16.1610 178.1672 *106 T 4.2685 7.9092 118.2634 64.3500 68.9503 173.9724 107 D 5.0349 7.9532 121.2620 52.4065 40.5156 176.6359 108 S 4.7227 7.8275 111.8497 56.7535 66.1873 171.8592 109 P 4.4205 0.0000 0.0000 65.8262 31.6371 178.3986 110 V 3.6420 7.9478 117.4880 66.0125 31.6554 178.8853 111 L 3.8149 7.6488 120.2491 54.6626 41.0332 179.5979 *113 G 3.3598 8.3376 108.6916 45.4972 0.0000 175.8831 114 A 3.7128 7.6309 122.1416 54.6076 18.2987 179.5375 115 K 3.8611 8.2392 118.1893 59.7959 30.8107 178.8837 116 A 4.1044 7.9990 120.1256 54.9649 18.2707 179.4828 117 T 4.1542 7.5666 114.2945 66.4878 68.8038 177.2597 118 L 4.0533 8.1819 121.0628 57.5876 41.3318 179.3487 119 R 3.8614 7.9002 118.5844 59.4732 30.0055 176.7570 120 N 4.6258 7.6570 110.3339 52.9383 38.4974 175.7053 121 G 3.9167 8.1699 106.0188 45.9919 0.0000 173.8558 122 K 4.7715 7.7020 118.3915 53.7251 34.3102 174.6310 123 P 4.9304 0.0000 0.0000 62.8860 33.0774 175.0176 124 V 4.4171 8.9705 122.4198 61.0799 34.4192 174.1891 125 V 4.9121 8.2178 126.6978 61.1714 34.2314 174.2601 126 V 4.5261 8.6311 121.2439 59.4329 35.2043 175.1824 127 G 4.3099 8.8059 113.0925 44.0878 0.0000 172.7888 128 I 4.0789 8.1033 120.7052 61.2229 39.0825 175.5917 129 S 5.2168 8.4028 115.7964 58.0955 63.6656 172.5009 130 T 4.8073 8.6462 118.9251 60.1852 71.0597 173.3394 131 N 4.7383 8.9761 124.1181 53.5912 38.0841 174.9229 132 D 4.8783 7.8004 117.5359 53.1467 40.1516 177.4285 133 A 3.9270 8.1187 125.3430 55.5451 18.3344 179.6226 134 L 4.6521 8.1924 113.1166 55.0878 43.5598 177.6560 135 G 4.1182 7.3384 105.1411 44.7547 0.0000 177.8439 136 L 4.1047 8.8248 126.8475 57.0460 41.7422 177.1486 137 N 4.6837 8.1442 114.9370 54.0568 38.6246 176.9750 138 G 3.8668 8.0954 108.8198 48.8386 0.0000 175.8489 139 I 3.7489 7.6295 113.8517 63.4081 37.8833 177.7314 140 N 4.4994 7.5791 115.5790 56.1939 38.1870 177.7126 141 I 3.8633 7.3200 115.6672 62.5434 37.0493 176.8110 *143 R 4.3357 7.7860 121.0220 56.5232 31.5289 178.8019 144 L 3.9885 7.7830 116.9172 54.7865 40.5729 178.4743 *146 A 4.2564 8.0024 120.2948 51.7819 20.3232 177.6451 147 T 4.3566 7.4916 113.6557 61.6032 69.7757 174.7148 148 K 3.7714 8.3053 124.3046 58.3779 32.5807 176.8767 149 N 4.5308 8.9140 118.6989 53.3873 35.8663 173.0487 150 I 4.9276 6.7555 118.6856 59.6898 39.2429 174.7509 151 Y 5.1761 9.1305 123.3579 56.3712 42.6140 174.0219 152 F 5.1750 9.7391 121.1620 55.4963 41.2796 175.8320 153 I 4.0670 8.5245 125.1435 60.2211 37.6115 174.4419 154 P 4.7146 0.0000 0.0000 63.5070 32.6703 175.1176 155 F 5.3812 8.4645 117.3395 55.9241 42.4558 172.7463 156 G 4.4539 8.3970 104.4840 46.3795 0.0000 172.4621 157 Q 5.3470 9.0589 119.5378 55.1230 28.6073 176.7147 158 D 4.5867 8.9208 123.4693 55.1712 40.6185 176.6769 159 N 4.8811 7.5295 116.8396 52.1928 40.0738 172.3712 160 P 4.5195 0.0000 0.0000 64.8479 32.1572 179.0387 161 Q 4.1065 8.1006 116.5097 58.1452 29.0722 177.0000 162 V 4.0577 7.6838 115.8304 63.8487 32.7304 176.1171 163 K 4.6325 8.2515 119.6172 53.5339 31.8463 174.8549 164 P 4.4350 0.0000 0.0000 64.5320 31.9860 177.9490 165 N 4.6544 8.0477 114.9847 53.2354 39.3401 173.8668 166 S 5.3454 8.1028 115.6180 57.1247 63.9288 172.7186 167 L 5.3645 8.5453 126.2903 53.0244 45.0598 175.5212 168 V 4.9926 8.7503 121.6675 60.9668 35.1090 174.6055 169 A 4.7301 8.6971 129.3026 52.0894 19.3962 177.2119 170 R 4.1956 8.9614 121.4708 55.8040 31.5729 177.0098 *172 E 4.2702 8.6785 119.2818 56.3005 31.4423 177.5763 173 A 4.5174 8.0274 120.0201 51.6992 18.2427 178.7826 174 L 3.8520 7.7497 121.2822 58.0752 42.1914 177.2366 175 P 4.3316 0.0000 0.0000 65.5987 31.1310 178.3709 176 E 3.7546 8.0065 116.9419 59.6739 28.7568 179.4189 177 T 3.9104 7.6571 115.6313 66.5421 68.3885 176.8280 178 I 3.6217 7.9931 122.0712 64.3119 36.7651 177.9892 179 E 4.0556 8.5686 120.1488 59.4042 29.3388 178.8103 180 A 3.8509 8.1138 120.5559 54.9203 18.4854 179.3915 181 A 3.0956 7.9473 120.8814 54.4670 18.1566 179.8803 182 L 3.9977 7.9819 116.5276 57.2342 41.6837 178.8497 183 R 4.4647 7.1627 115.8377 55.5384 30.1847 176.8221 184 G 4.0127 7.9983 106.7678 45.7275 0.0000 173.5839 185 Q 4.6899 7.9256 117.7109 53.3713 32.1222 174.6478 186 Q 4.3883 8.7923 122.5763 55.6321 29.6842 175.2031 187 Y 4.3371 8.6764 126.8171 57.6792 39.6025 174.6789 188 Q 4.5646 7.3027 124.2262 52.9006 32.4728 173.4277 189 P 4.2967 0.0000 0.0000 62.7085 32.1139 176.9098 190 V 3.8075 8.2607 121.3354 63.3673 33.0546 175.2617 191 L 4.6014 7.6130 121.5815 52.9477 42.8094 175.7614 192 I 4.5841 8.6671 117.2701 58.9943 41.7494 173.9924 193 E 4.6438 8.5129 121.4942 54.5636 30.2473 176.6773 194 K 3.9946 8.9517 127.7624 58.0622 32.9210 177.9884 *195 F 4.0447 8.7984 120.8710 57.2107 37.7763 172.3733 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 2 N 8.42 4.39 0.00 2.56 2.69 0.00 0.00 6.92 6.14 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 3 F 8.45 4.73 0.00 3.26 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 4 A 7.91 4.23 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 5 G 9.12 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 6 K 8.12 4.73 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.75 7.81 7 H 9.59 5.36 0.00 3.24 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.96 4.76 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 0.90 0.00 0.00 0.74 0.00 0.00 9 G 8.81 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 9.64 4.65 0.00 3.05 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.07 4.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.46 5.19 0.00 1.03 0.30 0.73 0.66 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 13 T 8.45 4.51 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 1.13 0.00 0.00 14 G 8.59 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.25 3.92 0.00 3.71 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.15 2.58 0.00 2.75 1.82 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.12 4.40 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.27 4.33 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 1.13 0.00 0.00 19 Y 7.08 4.60 0.00 3.07 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 20 H 8.12 4.42 0.00 3.33 3.50 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.45 4.17 0.00 2.25 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 2.44 2.37 0.00 22 V 7.57 4.36 2.42 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 1.07 0.00 0.00 1.10 0.00 0.00 23 L 7.94 3.85 0.00 1.66 1.72 1.08 0.83 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 24 P 0.00 4.41 0.00 2.21 2.13 0.00 3.55 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 2.24 2.14 0.00 25 Q 8.00 4.41 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.39 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 *27 E 8.36 4.22 0.00 2.04 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 2.28 2.48 0.00 28 R 8.10 4.13 0.00 2.14 2.05 0.00 3.22 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 29 L 8.05 4.13 0.00 1.76 1.72 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.69 3.94 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 1.33 0.00 0.00 0.99 0.00 0.00 31 E 8.28 4.09 0.00 2.19 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 2.36 2.57 0.00 32 L 8.25 4.39 0.00 2.16 1.76 1.14 1.02 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 33 G 8.09 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.32 4.53 1.29 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 0.00 0.00 0.00 35 K 9.27 4.46 0.00 1.81 1.80 0.00 1.35 0.00 0.00 1.41 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.36 7.81 36 V 8.43 4.89 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 1.02 0.00 0.00 0.97 0.00 0.00 37 T 8.87 4.58 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 0.97 0.00 0.00 38 P 0.00 5.15 0.00 2.05 1.94 0.00 3.46 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 2.06 2.07 0.00 39 F 9.33 5.27 0.00 2.67 2.82 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 40 V 8.76 4.98 2.33 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 0.97 0.00 0.00 1.09 0.00 0.00 41 T 8.74 4.27 4.13 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 1.26 0.00 0.00 42 H 7.79 5.02 0.00 3.23 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.52 4.12 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 1.30 0.00 0.00 44 V 8.70 3.99 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 0.63 0.00 0.00 0.89 0.00 0.00 45 Q 7.81 4.51 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 46 T 8.14 4.62 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 47 T 8.66 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 48 D 8.02 4.51 0.00 2.70 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 49 T 7.74 3.94 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 1.20 0.00 0.00 50 K 8.67 4.49 0.00 1.67 1.67 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 0.98 7.81 *51 F 8.06 3.87 0.00 2.29 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 0.00 0.00 0.00 52 G 7.68 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 0.00 0.00 0.00 0.00 53 E 8.19 4.16 0.00 2.09 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 2.34 2.32 0.00 54 S 7.84 4.18 0.00 3.84 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 55 S 8.64 4.33 0.00 4.16 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 56 E 9.09 4.01 0.00 1.97 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 2.32 1.95 0.00 57 W 8.51 4.60 0.00 3.80 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 58 I 6.21 2.91 1.43 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.57 0.00 0.00 59 N 7.91 4.19 0.00 2.82 2.83 0.00 0.00 7.05 7.04 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 60 K 8.25 3.93 0.00 2.01 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 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0.00 0.00 0.00 0.00 1.47 1.51 7.81 116 A 8.00 4.10 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 0.00 117 T 7.57 4.15 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 1.24 0.00 0.00 118 L 8.18 4.05 0.00 1.84 1.74 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.90 3.86 0.00 1.91 2.22 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 120 N 7.66 4.63 0.00 2.89 2.85 0.00 0.00 7.09 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.17 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 0.00 122 K 7.70 4.77 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.68 7.81 123 P 0.00 4.93 0.00 2.22 2.36 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 124 V 8.97 4.42 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 0.88 0.00 0.00 0.93 0.00 0.00 125 V 8.22 4.91 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 0.97 0.00 0.00 0.93 0.00 0.00 126 V 8.63 4.53 1.74 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 0.51 0.00 0.00 -0.24 0.00 0.00 127 G 8.81 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.10 4.08 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.56 0.92 0.00 0.00 129 S 8.40 5.22 0.00 3.90 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 0.00 130 T 8.65 4.81 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 131 N 8.98 4.74 0.00 2.85 2.91 0.00 0.00 5.89 8.06 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 0.00 132 D 7.80 4.88 0.00 2.80 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 0.00 133 A 8.12 3.93 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 0.00 134 L 8.19 4.65 0.00 1.78 1.71 0.95 0.77 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 0.00 135 G 7.34 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 0.00 136 L 8.82 4.10 0.00 1.62 1.74 0.92 0.97 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 0.00 137 N 8.14 4.68 0.00 3.03 2.83 0.00 0.00 7.03 7.58 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 0.00 138 G 8.10 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 0.00 139 I 7.63 3.75 1.85 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 1.62 0.62 0.89 0.00 0.00 140 N 7.58 4.50 0.00 3.11 2.90 0.00 0.00 6.91 7.28 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 0.00 141 I 7.32 3.86 1.92 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 1.43 0.59 0.53 0.00 0.00 *143 R 7.79 4.34 0.00 1.84 2.12 0.00 3.32 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 144 L 7.78 3.99 0.00 2.19 1.86 1.02 -0.02 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 *146 A 8.00 4.26 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 0.00 147 T 7.49 4.36 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 1.11 0.00 0.00 148 K 8.31 3.77 0.00 1.71 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 149 N 8.91 4.53 0.00 2.93 3.19 0.00 0.00 6.93 7.23 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 0.00 150 I 6.76 4.93 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.91 0.00 0.00 151 Y 9.13 5.18 0.00 2.86 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 0.00 152 F 9.74 5.18 0.00 3.04 3.32 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 0.00 153 I 8.52 4.07 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.17 1.01 0.00 0.00 154 P 0.00 4.71 0.00 2.18 2.19 0.00 3.72 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 155 F 8.46 5.38 0.00 3.21 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 0.00 156 G 8.40 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.06 5.35 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 158 D 8.92 4.59 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 0.00 159 N 7.53 4.88 0.00 2.72 2.69 0.00 0.00 7.25 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 0.00 160 P 0.00 4.52 0.00 2.23 2.09 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 161 Q 8.10 4.11 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 162 V 7.68 4.06 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 0.78 0.00 0.00 0.94 0.00 0.00 163 K 8.25 4.63 0.00 1.77 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81 164 P 0.00 4.44 0.00 2.18 2.30 0.00 3.36 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 165 N 8.05 4.65 0.00 2.92 2.87 0.00 0.00 6.80 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.10 5.35 0.00 3.92 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 0.00 167 L 8.55 5.36 0.00 1.54 1.54 0.94 0.98 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 0.00 168 V 8.75 4.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.07 0.00 0.00 169 A 8.70 4.73 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.96 4.20 0.00 1.96 1.90 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 *172 E 8.68 4.27 0.00 2.06 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 2.25 2.36 0.00 173 A 8.03 4.52 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 0.00 174 L 7.75 3.85 0.00 1.73 1.70 0.85 1.00 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 0.00 175 P 0.00 4.33 0.00 2.27 2.35 0.00 3.79 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 2.18 2.26 0.00 176 E 8.01 3.75 0.00 1.51 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 2.15 2.28 0.00 177 T 7.66 3.91 4.34 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 1.34 0.00 0.00 178 I 7.99 3.62 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.63 0.00 0.00 179 E 8.57 4.06 0.00 2.22 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 2.32 2.29 0.00 180 A 8.11 3.85 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 181 A 7.95 3.10 1.08 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 0.00 0.00 182 L 7.98 4.00 0.00 1.80 1.78 1.08 1.23 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 0.00 183 R 7.16 4.46 0.00 1.93 1.94 0.00 3.20 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 184 G 8.00 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 0.00 185 Q 7.93 4.69 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 186 Q 8.79 4.39 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 187 Y 8.68 4.34 0.00 2.91 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 0.00 188 Q 7.30 4.56 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 189 P 0.00 4.30 0.00 2.26 1.95 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 190 V 8.26 3.81 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 0.62 0.00 0.00 0.94 0.00 0.00 191 L 7.61 4.60 0.00 1.36 1.49 0.48 0.67 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 0.00 192 I 8.67 4.58 1.87 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 1.26 1.25 0.89 0.00 0.00 193 E 8.51 4.64 0.00 1.87 1.95 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 2.23 2.26 0.00 194 K 8.95 3.99 0.00 1.99 1.79 0.00 1.96 0.00 0.00 1.92 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.65 7.81 *195 F 8.80 4.04 0.00 2.36 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.