NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 R 4.3123 8.2549 119.0723 55.7793 32.0534 176.2119 13 E 4.3962 7.5851 117.5794 53.4363 32.4993 175.2729 14 L 3.7018 8.5367 123.6560 58.3627 42.2822 178.5132 15 A 3.9120 7.8902 119.0119 55.2869 18.2811 178.8125 16 E 4.0097 7.9280 116.1469 59.3602 29.9561 178.4970 17 I 3.8030 7.5225 118.9182 62.3803 37.8436 176.8641 18 G 4.0514 8.1770 107.9333 45.5717 0.0000 174.1416 19 L 3.7947 8.3733 122.3054 57.8096 41.6035 179.1877 20 E 4.3482 8.1017 114.8849 57.8729 29.5320 177.4081 21 G 3.9621 8.1121 107.2585 45.0697 0.0000 172.9197 22 Y 4.6692 8.0358 121.8847 55.2241 39.5377 175.7821 23 A 4.0133 8.5320 131.5123 54.8338 18.6613 177.6572 24 P 4.1019 0.0000 0.0000 65.6990 31.9534 177.2734 25 Y 4.3141 8.1392 119.0411 60.8389 38.8952 178.0626 26 L 3.6257 7.7339 116.2327 55.6789 41.1318 178.4009 *28 N 4.5937 8.1388 118.1420 53.3921 40.6154 175.9994 29 R 3.9215 7.6546 118.0070 59.3474 30.3515 178.6374 30 I 3.5263 7.9539 115.0054 62.4082 36.7283 177.7916 *32 G 3.8542 8.1678 111.6652 45.7239 0.0000 175.8540 33 R 3.8285 8.0438 120.3302 59.0387 30.1246 177.6780 34 Y 4.0390 8.2666 119.6585 61.0389 38.7021 178.1156 35 N 4.3555 8.3672 116.4637 56.1837 38.7032 177.0524 36 A 3.9725 8.2244 122.3337 55.3265 18.2433 179.4187 37 N 4.2190 7.9953 113.8270 56.4747 38.8099 177.3891 38 L 3.9876 7.5802 119.8612 57.6543 41.4511 179.4521 39 R 3.8700 8.0386 117.6241 59.4315 30.0523 178.6254 40 K 3.9596 7.6039 116.8517 58.6430 33.5990 177.7510 41 E 4.1627 8.1036 123.6527 55.8329 28.0390 177.5419 *43 T 4.2921 7.5463 110.7623 60.6370 71.5691 177.1540 44 A 4.1627 8.1849 122.2984 55.2032 18.4367 178.1420 45 L 4.4051 7.8084 112.3596 53.9033 42.1396 176.8624 46 G 3.9836 8.0905 106.1736 46.5500 0.0000 173.4915 47 L 4.7739 7.8974 117.8320 52.4060 44.7194 176.7521 48 S 4.6631 8.3194 116.8380 56.9184 65.0597 174.3369 49 T 3.9886 8.6680 116.8003 66.9196 68.4717 175.6624 50 A 4.1834 8.2569 123.4454 55.4386 18.5290 180.4388 51 K 4.3264 7.9530 112.5392 57.2355 31.7025 179.3750 *53 R 4.2775 8.2046 119.6482 56.3888 32.1677 177.8329 54 A 4.0222 8.2267 119.4295 55.2800 18.2607 179.6714 55 L 3.8922 8.2766 117.4384 57.7253 41.1312 179.6730 56 A 3.4575 7.9542 120.1586 55.1100 18.4278 179.5989 57 I 3.5770 7.7393 118.2285 64.5991 37.0023 178.8332 58 L 4.5249 8.0314 119.9762 57.0533 41.4173 179.4134 59 S 3.9912 7.6260 113.6826 60.8954 62.8079 175.9429 60 A 4.2139 7.1348 122.8856 52.7668 19.0424 178.0333 61 K 4.2513 7.8292 117.0853 55.8484 35.3576 175.3641 62 D 4.7932 8.5962 123.5802 53.3128 42.9899 175.0060 63 G 2.8769 7.6077 107.5776 46.2214 0.0000 173.8467 64 L 4.5960 6.9345 117.5792 52.0654 44.3269 175.4160 65 P 4.8355 0.0000 0.0000 61.5439 33.2568 177.5260 66 I 3.7096 8.3325 120.2798 64.4648 37.9728 178.4217 67 G 3.5659 7.9899 105.7998 48.1212 0.0000 175.5893 68 T 3.5400 7.6392 117.6431 66.0460 68.4706 176.2338 69 L 4.1322 7.9641 122.3979 58.3407 42.0897 179.3248 70 G 3.5797 8.3635 105.8229 47.7479 0.0000 175.8038 71 I 3.6667 7.4451 121.5377 64.2732 36.9018 178.5557 72 F 4.6384 7.7220 117.1203 60.4702 38.8261 177.0992 73 A 4.2136 8.3391 118.8503 51.7859 19.8049 177.0548 74 V 3.2316 7.3099 114.8484 63.9406 29.9855 172.7027 75 V 4.3941 7.9344 118.2389 59.9936 34.8755 175.0656 76 E 4.0321 8.7458 127.2008 56.2465 31.2956 177.0793 77 Q 3.9384 8.7130 126.5806 59.5249 29.1682 179.1226 78 S 4.1341 8.3663 114.5902 61.7655 63.0821 176.3516 79 T 3.8425 8.4501 119.6041 66.2673 68.1222 176.3960 80 L 3.9706 8.5058 122.5936 58.0803 42.1068 178.9065 81 S 4.0716 8.4810 113.5858 61.4552 62.3835 176.3872 82 R 4.0665 8.0687 120.5537 59.0917 29.7106 178.8000 83 A 3.9897 7.9881 120.5468 55.3668 18.3688 179.7131 84 L 3.9402 8.2202 117.6437 57.9534 41.6055 179.4582 85 D 4.4819 8.3348 119.0735 57.3275 40.8931 179.2066 86 G 3.5764 8.0478 105.9770 47.8434 0.0000 175.8366 87 L 4.0593 8.1810 122.0773 57.4379 41.5358 179.4844 88 Q 4.3658 8.8217 121.0972 58.6505 28.8111 177.8895 89 A 4.0166 7.9864 120.8220 54.9149 18.4094 178.3258 90 D 4.7574 7.8134 114.2226 53.7199 41.0978 177.2752 91 G 3.9392 7.9607 107.3532 46.2169 0.0000 174.7121 92 L 4.5992 8.3806 121.4605 55.5166 43.2736 176.6701 93 V 5.1979 7.6698 110.7507 59.5545 36.7333 174.3451 94 R 4.8618 9.1179 117.3341 54.6807 32.9248 174.3023 95 R 5.3331 8.4471 118.3688 54.6619 33.1566 175.0643 96 E 4.8415 9.1381 121.4133 54.3165 33.9913 175.2920 97 V 4.1841 8.4157 122.8431 62.9838 32.7700 176.6325 98 D 4.5666 9.3251 130.2594 54.4760 42.0907 177.2293 *101 D 4.4683 8.5047 118.0094 54.7451 41.1820 172.7891 102 Q 4.5047 8.2628 116.7081 55.0723 27.9950 178.6486 103 R 4.4516 7.5228 111.8344 58.0285 28.9790 175.4151 104 S 5.0184 7.4746 112.3133 57.5162 66.8075 172.1824 105 S 5.3417 8.5306 112.3848 56.8130 66.3159 173.1659 106 R 5.0074 9.2257 120.3481 54.3602 33.8618 174.8188 107 V 4.8826 8.2710 121.7117 60.1866 34.0945 174.1889 108 Y 5.0978 8.9611 121.4176 55.8715 41.6976 174.5584 109 L 4.5301 10.0643 127.2420 55.2054 43.0174 176.6371 110 T 4.4344 8.4522 116.1565 60.1525 70.8499 174.0142 111 P 4.2357 0.0000 0.0000 65.7478 31.2585 178.6747 112 A 4.1174 8.1407 119.1742 55.2792 18.2193 179.7930 113 G 3.5931 8.2463 104.2086 47.9227 0.0000 175.9792 114 R 4.0035 8.3307 120.9655 59.0334 29.8724 178.2989 115 A 4.0427 8.0112 119.9374 55.2366 18.6765 179.5674 116 V 3.6958 7.8701 116.5872 66.2831 31.6778 177.5039 117 Y 4.1242 8.3652 119.6100 61.0139 38.4367 177.9534 118 D 4.2898 8.6324 118.4153 56.6699 40.9547 178.0594 119 R 4.2607 7.5519 116.7099 56.9549 30.7338 177.6536 120 L 4.2123 7.6912 120.8832 57.1257 42.0850 177.8416 121 W 4.4216 7.7978 127.0323 60.2839 30.7061 175.0440 122 P 4.0181 0.0000 0.0000 65.8411 31.2529 177.3402 123 H 4.2196 7.8974 114.2006 56.2918 28.5091 177.2053 *125 R 3.5944 8.1509 121.6102 56.0621 31.6914 177.2910 126 A 3.9366 7.6915 119.4992 55.1610 18.0329 179.6183 127 S 4.0542 7.6538 110.2069 61.5443 62.5837 175.3376 128 H 4.3600 8.2735 119.5103 59.6423 29.7021 176.4926 129 D 4.6633 8.4604 119.7564 57.1028 40.8982 179.4048 130 R 3.9824 7.8707 116.7633 56.8445 30.0123 177.5040 *132 F 4.5364 7.9129 113.6223 56.0054 40.7012 174.7460 133 Q 4.1308 7.7861 120.6245 57.7431 28.7549 177.1300 134 G 3.9002 8.8569 109.5356 46.1469 0.0000 172.6311 135 I 4.4861 7.5662 120.7544 59.3250 38.5130 176.7204 136 T 4.1136 8.2631 116.6946 61.0101 70.6301 173.6535 137 P 4.1736 0.0000 0.0000 65.9374 31.2987 179.1136 138 Q 3.9823 7.9832 116.3978 59.0447 28.7296 178.3581 139 E 4.0524 8.3258 119.6078 59.3401 29.3718 179.6805 140 R 3.9400 8.3066 118.4467 59.1962 30.1560 178.6143 141 Q 3.9386 8.2515 119.2307 59.4058 29.0538 178.4866 142 A 4.0407 8.0678 121.5452 55.0125 18.3172 179.3851 143 F 4.1949 8.4512 119.1649 61.6528 39.5651 177.4428 144 L 3.8449 8.4596 118.7415 57.5161 41.4406 179.4265 145 A 3.9504 8.1021 120.7767 55.4488 18.1336 179.7956 146 T 3.7540 7.6380 112.8523 66.7586 68.6043 176.4218 147 L 3.9436 7.4701 119.6223 57.9536 41.8250 179.0954 148 N 4.4916 8.2140 116.2999 55.9498 38.3821 177.7413 149 K 4.1325 7.6808 117.0308 57.1820 32.0006 177.9352 *151 L 4.1223 7.8625 120.3850 54.6080 43.6815 178.3801 152 A 4.0258 8.0849 120.0015 55.4877 18.4791 178.6072 153 N 4.4620 8.2784 112.2183 56.2441 38.6838 176.3816 154 I 4.0259 7.5807 116.3485 62.3599 38.6792 176.1463 155 R 4.1189 7.6387 116.6760 55.9476 29.8851 176.8539 156 V 3.7173 8.2897 119.8454 64.7454 32.0387 175.7522 157 H 4.8282 7.8459 116.4299 54.0738 30.5807 175.5080 158 E 4.4144 8.5425 126.9965 54.7611 28.0521 176.6293 159 I 4.2428 7.1869 115.2791 61.0961 37.6838 175.8852 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 12 R 8.25 4.31 0.00 1.85 1.91 0.00 3.22 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 13 E 7.59 4.40 0.00 2.04 1.83 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 2.31 2.40 0.00 14 L 8.54 3.70 0.00 1.44 1.49 0.36 0.89 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 15 A 7.89 3.91 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 16 E 7.93 4.01 0.00 1.95 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 2.38 0.00 17 I 7.52 3.80 1.96 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 1.48 0.78 1.02 0.00 0.00 18 G 8.18 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.37 3.79 0.00 1.16 0.33 0.51 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.10 4.35 0.00 1.96 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 2.38 2.53 0.00 21 G 8.11 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 22 Y 8.04 4.67 0.00 2.96 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 23 A 8.53 4.01 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 24 P 0.00 4.10 0.00 1.73 2.01 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.76 0.00 25 Y 8.14 4.31 0.00 3.27 3.46 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 26 L 7.73 3.63 0.00 1.86 1.62 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *28 N 8.14 4.59 0.00 2.86 2.90 0.00 0.00 7.03 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.65 3.92 0.00 1.50 1.52 0.00 3.06 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 30 I 7.95 3.53 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.82 0.00 0.00 *32 G 8.17 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 33 R 8.04 3.83 0.00 1.94 2.07 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 1.67 0.00 34 Y 8.27 4.04 0.00 3.08 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 35 N 8.37 4.36 0.00 2.84 2.90 0.00 0.00 6.93 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 36 A 8.22 3.97 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 37 N 8.00 4.22 0.00 2.71 2.76 0.00 0.00 7.12 7.37 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 38 L 7.58 3.99 0.00 1.71 1.61 0.69 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.04 3.87 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 40 K 7.60 3.96 0.00 1.80 1.83 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.68 7.81 41 E 8.10 4.16 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 *43 T 7.55 4.29 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 44 A 8.18 4.16 1.28 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 0.00 0.00 45 L 7.81 4.41 0.00 1.68 1.72 0.93 0.96 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 46 G 8.09 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 0.00 0.00 0.00 47 L 7.90 4.77 0.00 1.62 1.57 0.97 0.97 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 48 S 8.32 4.66 0.00 3.98 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 49 T 8.67 3.99 4.27 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 0.00 0.00 0.00 1.25 0.00 0.00 50 A 8.26 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.95 4.33 0.00 2.15 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.44 7.81 *53 R 8.20 4.28 0.00 1.95 2.08 0.00 3.19 0.00 0.00 3.68 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 54 A 8.23 4.02 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 55 L 8.28 3.89 0.00 1.84 1.85 1.03 0.99 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 56 A 7.95 3.46 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.74 3.58 1.88 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 1.79 0.92 0.93 0.00 0.00 58 L 8.03 4.52 0.00 1.53 1.66 0.90 0.74 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 59 S 7.63 3.99 0.00 3.46 3.10 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 60 A 7.13 4.21 1.15 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 61 K 7.83 4.25 0.00 1.83 1.78 0.00 0.79 0.00 0.00 1.47 0.00 0.00 2.65 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 1.26 7.81 62 D 8.60 4.79 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 63 G 7.61 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 0.00 0.00 0.00 64 L 6.93 4.60 0.00 1.65 1.55 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.84 0.00 2.09 1.92 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 66 I 8.33 3.71 1.84 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 1.54 1.59 0.88 0.00 0.00 67 G 7.99 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 0.00 0.00 0.00 68 T 7.64 3.54 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 0.87 0.00 0.00 69 L 7.96 4.13 0.00 1.76 1.87 0.96 0.89 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 70 G 8.36 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 71 I 7.45 3.67 1.62 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.78 0.00 0.00 72 F 7.72 4.64 0.00 3.18 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 73 A 8.34 4.21 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 74 V 7.31 3.23 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 0.74 0.00 0.00 0.98 0.00 0.00 75 V 7.93 4.39 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 0.85 0.00 0.00 0.96 0.00 0.00 76 E 8.75 4.03 0.00 2.04 1.81 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 2.38 2.32 0.00 77 Q 8.71 3.94 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 78 S 8.37 4.13 0.00 4.09 4.11 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 0.00 0.00 0.00 79 T 8.45 3.84 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 1.22 0.00 0.00 80 L 8.51 3.97 0.00 1.70 1.82 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.48 4.07 0.00 3.97 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 82 R 8.07 4.07 0.00 2.06 1.97 0.00 3.19 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 1.65 1.81 0.00 83 A 7.99 3.99 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.22 3.94 0.00 1.82 1.74 0.91 1.35 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 85 D 8.33 4.48 0.00 2.93 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 86 G 8.05 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 87 L 8.18 4.06 0.00 1.84 1.76 0.95 1.15 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 88 Q 8.82 4.37 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 89 A 7.99 4.02 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.81 4.76 0.00 2.71 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 91 G 7.96 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 92 L 8.38 4.60 0.00 1.67 1.75 0.96 0.91 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 93 V 7.67 5.20 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 0.96 0.00 0.00 0.97 0.00 0.00 94 R 9.12 4.86 0.00 1.86 2.00 0.00 2.66 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 95 R 8.45 5.33 0.00 1.88 1.88 0.00 3.12 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 96 E 9.14 4.84 0.00 2.02 1.82 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 2.22 2.30 0.00 97 V 8.42 4.18 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 0.82 0.00 0.00 0.95 0.00 0.00 98 D 9.33 4.57 0.00 2.79 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 *101 D 8.50 4.47 0.00 2.63 2.68 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 0.00 102 Q 8.26 4.50 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.26 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 103 R 7.52 4.45 0.00 2.07 2.08 0.00 2.97 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 104 S 7.47 5.02 0.00 3.68 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 0.00 105 S 8.53 5.34 0.00 4.01 3.97 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 0.00 106 R 9.23 5.01 0.00 1.76 1.51 0.00 3.15 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 107 V 8.27 4.88 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 0.68 0.00 0.00 0.92 0.00 0.00 108 Y 8.96 5.10 0.00 2.86 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 0.00 109 L 10.06 4.53 0.00 1.63 1.58 0.99 0.91 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 0.00 110 T 8.45 4.43 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 1.29 0.00 0.00 111 P 0.00 4.24 0.00 2.19 2.16 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 112 A 8.14 4.12 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 0.00 113 G 8.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.33 4.00 0.00 1.93 1.98 0.00 3.13 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 115 A 8.01 4.04 1.40 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 0.00 0.00 0.00 116 V 7.87 3.70 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.01 0.00 0.00 117 Y 8.37 4.12 0.00 3.19 3.18 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 0.00 118 D 8.63 4.29 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.55 4.26 0.00 1.94 1.97 0.00 3.16 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 120 L 7.69 4.21 0.00 1.77 1.73 0.93 0.92 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 0.00 121 W 7.80 4.42 0.00 2.78 2.89 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 0.00 122 P 0.00 4.02 0.00 1.96 1.94 0.00 3.55 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 123 H 7.90 4.22 0.00 3.23 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 R 8.15 3.59 0.00 0.67 1.43 0.00 2.99 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 126 A 7.69 3.94 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 0.00 127 S 7.65 4.05 0.00 3.82 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 0.00 128 H 8.27 4.36 0.00 3.32 3.49 0.00 5.79 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 0.00 129 D 8.46 4.66 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.87 3.98 0.00 1.95 2.01 0.00 3.10 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 *132 F 7.91 4.54 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.79 4.13 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 134 G 8.86 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 0.00 0.00 0.00 135 I 7.57 4.49 2.16 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 1.34 0.81 1.00 0.00 0.00 136 T 8.26 4.11 4.43 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 1.22 0.00 0.00 137 P 0.00 4.17 0.00 2.17 2.13 0.00 3.59 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 2.11 2.17 0.00 138 Q 7.98 3.98 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 139 E 8.33 4.05 0.00 2.17 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 2.37 0.00 140 R 8.31 3.94 0.00 1.88 1.71 0.00 2.97 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.83 0.00 141 Q 8.25 3.94 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 142 A 8.07 4.04 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 0.00 143 F 8.45 4.19 0.00 3.31 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 0.00 144 L 8.46 3.84 0.00 1.86 1.69 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.10 3.95 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 0.00 146 T 7.64 3.75 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 1.16 0.00 0.00 147 L 7.47 3.94 0.00 1.51 1.56 0.52 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.21 4.49 0.00 2.90 2.84 0.00 0.00 6.68 7.61 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 0.00 149 K 7.68 4.13 0.00 1.97 1.87 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 *151 L 7.86 4.12 0.00 1.76 1.81 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.08 4.03 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 0.00 153 N 8.28 4.46 0.00 2.72 2.88 0.00 0.00 6.98 7.07 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 0.00 154 I 7.58 4.03 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 1.46 0.77 0.94 0.00 0.00 155 R 7.64 4.12 0.00 1.99 2.01 0.00 3.43 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 156 V 8.29 3.72 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 0.64 0.00 0.00 0.88 0.00 0.00 157 H 7.85 4.83 0.00 3.08 3.14 0.00 5.94 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 0.00 158 E 8.54 4.41 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 159 I 7.19 4.24 1.90 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.