NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4604 8.1927 115.4161 57.6725 64.7998 174.2126 4 L 3.7842 8.3211 121.5713 57.4765 41.7434 176.7675 5 C 4.5875 8.7555 120.8638 62.2390 32.1149 175.0701 6 L 4.1111 7.9032 120.4448 57.4080 41.2245 179.5190 7 Q 4.0863 8.1894 119.9013 59.3195 29.0890 178.1928 8 R 4.4353 7.8062 120.7802 59.0263 30.1047 178.4773 9 L 4.0194 8.0822 118.7545 57.7647 41.5498 179.4888 10 Q 4.1238 8.2482 118.2670 58.9494 28.5381 178.5590 11 E 4.0738 8.1945 119.2950 59.2781 29.4137 179.1713 12 E 4.0503 8.3652 118.7963 59.4204 29.4784 179.3876 13 R 4.3774 8.3855 118.7508 59.4233 29.8147 178.4199 14 K 3.9929 8.2013 119.5004 59.4923 32.1024 178.6806 15 K 3.8752 8.4002 120.0099 59.2830 31.9102 178.6458 16 W 4.2854 8.4931 127.9137 60.5899 30.7851 178.0715 17 R 4.2258 8.5363 117.1018 58.5606 29.5292 178.2390 18 K 4.5104 7.4699 116.2915 56.1603 32.9313 176.6063 19 D 4.4365 7.3450 119.1607 53.4943 44.6936 174.1908 20 H 4.2370 7.9889 117.8315 53.2804 30.7340 171.6587 21 P 4.1648 0.0000 0.0000 62.8519 31.5929 175.8451 22 F 4.2905 8.7525 124.6940 59.6037 39.8731 175.2920 23 G 3.7114 8.2568 116.0064 44.9447 0.0000 173.2276 24 F 5.0590 7.7447 117.8364 56.8813 40.8203 174.7427 25 Y 5.4228 8.2522 116.7619 56.3669 41.6122 173.7018 26 A 5.1778 8.8345 119.7401 51.3347 22.0717 175.7141 27 K 3.9487 8.5919 118.2711 55.0933 36.1444 173.3528 28 P 4.0717 0.0000 0.0000 62.4741 32.1856 176.4771 29 V 4.0150 8.4678 116.0531 60.6019 33.3175 175.7763 30 K 4.5197 8.3903 123.3788 56.2224 32.4886 177.2893 31 K 4.1730 9.7859 127.1013 55.1589 33.1096 176.2780 32 A 3.9933 8.3292 123.2166 55.9935 18.6516 180.4303 33 D 4.7676 7.9502 113.9738 53.3750 39.3790 179.1265 34 G 3.9529 8.5001 108.9538 47.4013 0.0000 174.8332 35 S 4.4893 7.8768 114.6372 58.3981 64.8402 172.6559 36 M 4.7408 8.3662 118.0177 53.8062 35.2315 175.6464 37 D 4.6875 8.5779 123.1990 52.6575 41.5711 176.8838 38 L 4.1883 8.6191 125.3790 56.3825 41.9254 178.0406 39 Q 4.5415 8.4336 117.8083 55.6494 29.3184 174.8122 40 K 4.9401 8.5619 120.3408 54.9295 34.9639 174.8327 41 W 5.3309 9.5013 127.7614 54.8832 33.0573 174.7589 42 E 5.1421 9.1964 121.2668 54.7064 32.1705 175.1736 43 A 5.0486 9.2234 125.4359 49.9144 23.3590 174.5827 44 G 3.4842 7.8273 105.3490 44.1883 0.0000 171.9425 45 I 4.3711 8.6168 126.2626 58.5251 39.2932 173.3578 46 P 4.7453 0.0000 0.0000 62.1685 32.1277 176.6521 47 G 4.4175 8.6593 109.9218 45.4961 0.0000 173.6441 48 K 4.4212 8.7102 121.2793 55.6444 32.9413 177.0419 49 E 4.0194 8.6153 122.4318 57.8748 29.9134 177.6914 50 G 4.0325 9.1074 109.7333 45.6474 0.0000 173.0429 51 T 4.8529 7.4199 108.6777 59.3275 71.6108 174.8078 52 N 4.4597 8.8314 118.9345 55.2816 38.6611 176.2424 53 W 4.4002 8.2049 117.5688 57.3197 29.7330 176.3554 54 A 4.2276 7.8514 122.3005 53.7560 18.3351 177.3538 55 G 4.0582 9.3081 109.5712 44.8381 0.0000 173.5142 56 G 3.8385 7.7635 105.9942 44.7676 0.0000 173.3821 57 V 4.5220 8.1581 121.3959 60.9650 33.4052 174.3250 58 Y 4.4083 8.5623 127.6279 56.2268 39.2634 173.5271 59 P 4.8968 0.0000 0.0000 62.5342 32.6467 175.4884 60 I 4.7432 8.5565 115.5059 59.3089 41.7071 173.7895 61 T 4.9727 8.5692 113.1929 59.8490 71.8014 173.0274 62 V 4.4614 8.6692 124.1467 61.1729 34.2489 173.7977 63 E 4.9635 8.7460 128.3139 54.8167 31.8419 174.5968 64 Y 4.5508 8.6567 123.6327 55.5756 39.3654 174.4388 65 P 4.5609 0.0000 0.0000 62.1586 32.4146 177.0636 66 N 4.5061 8.6034 115.9882 56.2494 38.8241 176.8372 67 E 4.1189 8.3263 117.6399 58.7505 30.1689 176.2161 68 Y 4.6220 7.7473 119.0608 57.5658 39.1925 174.7612 69 P 3.7690 0.0000 0.0000 63.0053 31.5079 177.4668 70 S 4.2893 8.1129 116.0454 61.5788 62.9118 174.4226 71 K 4.5298 7.7549 118.7792 53.8318 33.4546 175.0434 72 P 3.0399 0.0000 0.0000 61.3636 31.6280 174.0945 73 P 4.2973 0.0000 0.0000 62.4245 32.5959 175.1346 74 K 4.4606 8.3097 119.5029 54.5966 34.8987 175.7572 75 V 4.6921 7.9651 122.4195 61.0460 34.7882 174.2904 76 K 5.0272 8.5566 125.5877 54.8984 36.7927 176.1092 77 F 4.8427 9.0988 122.8807 55.3121 41.7022 173.4122 78 P 4.7310 0.0000 0.0000 62.3498 32.4899 176.4867 79 A 4.4150 8.5877 125.9557 53.8831 18.6844 178.1913 80 G 4.1053 8.6044 111.4222 44.7885 0.0000 173.8059 81 F 4.0878 7.9852 122.2208 58.5055 40.0713 173.8236 82 Y 4.4533 8.2514 128.7662 56.4057 38.7715 173.8221 83 H 4.3192 7.7906 123.2228 54.6785 32.9190 172.9036 84 P 3.6632 0.0000 0.0000 65.1656 31.5422 177.3976 85 N 4.7216 7.9941 112.9811 52.8561 38.8993 174.0159 86 V 4.5607 7.2675 119.4281 60.9203 32.5757 175.2526 87 Y 4.5532 8.3201 125.3264 57.2107 38.2507 175.4977 88 P 4.4627 0.0000 0.0000 65.9277 31.4930 178.9799 89 S 4.2365 8.1140 111.0145 59.3617 63.5064 174.8386 90 G 4.4645 8.6743 109.5330 46.3200 0.0000 173.7753 91 T 4.4209 7.9055 117.3210 64.1556 69.4751 173.2443 92 I 4.8445 8.3134 126.4189 59.7344 39.8270 175.1075 93 C 4.6356 8.0669 122.9621 58.1590 29.3786 173.1164 94 L 4.5330 8.2103 126.3006 53.3557 43.3713 177.6481 95 S 4.9997 8.9192 121.0887 61.2613 63.1839 176.0398 96 I 4.0887 7.8195 111.6257 62.0603 37.7376 176.5136 97 L 4.4258 7.8310 121.0989 54.3867 42.2836 175.5199 98 N 4.8658 8.0907 117.9253 51.3378 40.4380 174.4747 99 E 4.3282 9.0108 124.8999 59.5965 29.5986 178.1728 100 D 4.6398 8.4468 118.0495 55.8583 43.0790 177.0306 101 Q 4.2547 8.9802 116.4692 56.3150 28.0052 176.4806 102 D 4.8553 6.0500 123.0904 54.2484 42.0322 176.4195 103 W 5.1069 8.3162 129.0394 57.2403 31.4932 175.3235 104 R 3.8792 6.2067 117.5810 54.0427 31.3077 173.9610 105 P 3.7622 0.0000 0.0000 65.6001 31.3989 177.5883 106 A 3.9880 7.4171 119.1811 54.0461 18.6031 177.8035 107 I 3.9046 7.1384 117.6300 62.2631 37.7131 176.4302 108 T 4.7248 9.1204 115.9181 60.0786 72.0531 175.6783 109 L 3.8591 8.6280 123.1034 58.0833 41.9274 179.0712 110 K 4.1623 8.2187 119.1961 59.8069 32.2595 178.6655 111 Q 4.0461 7.9326 117.8400 58.7966 28.5225 178.9337 112 I 3.6812 7.6819 120.9161 64.5883 37.1825 178.9258 113 V 3.6665 7.8884 113.2861 64.4387 31.2560 178.7294 114 L 4.2133 8.0763 118.9665 57.4466 41.1765 179.7604 115 G 3.5661 7.7538 105.2469 47.6631 0.0000 175.7305 116 V 3.6898 7.9560 120.8618 65.6954 31.5734 177.8054 117 Q 3.9604 8.3605 119.4323 59.4944 28.6966 178.0567 118 D 4.3983 8.2038 118.9079 57.3517 41.1749 178.3562 119 L 4.0265 7.7612 120.6738 57.4252 41.7587 178.4967 120 L 2.9573 6.9917 118.4314 57.3690 41.4812 178.0276 121 D 5.0994 7.5557 114.0428 53.1938 39.9673 177.4492 122 S 4.6893 7.5378 114.6648 56.5594 63.7602 171.9419 123 P 4.2360 0.0000 0.0000 62.4276 32.2331 175.9536 124 N 4.7186 9.6815 121.8729 51.7324 38.9767 174.1077 125 P 4.1252 0.0000 0.0000 64.9117 31.3638 176.4178 126 N 4.7665 8.1507 115.6438 53.3422 38.6132 175.9133 127 S 4.6553 7.8889 115.4939 56.1887 63.5065 172.7196 128 P 4.5594 0.0000 0.0000 61.7046 29.9077 176.8397 129 A 3.7141 7.8188 125.3678 54.2565 19.6933 177.3872 130 Q 4.3822 8.0766 116.4817 53.4781 30.6565 175.0215 131 E 4.1628 9.1111 126.3688 59.2837 29.6314 176.8646 132 P 4.3709 0.0000 0.0000 65.3903 31.3524 178.5048 133 A 4.0929 7.8747 120.5727 54.4479 18.2862 179.5795 134 W 3.9102 8.2550 117.4836 59.6598 29.0459 178.6419 135 R 4.0194 8.3462 118.6912 59.7248 29.4907 178.7717 136 S 4.2067 8.3672 114.7757 61.7162 62.6967 176.3831 137 F 3.4073 8.2090 122.1446 61.1339 38.9582 176.7990 138 S 4.5347 8.3592 113.5793 60.0958 63.1718 175.1187 139 R 4.5987 8.4234 116.9468 55.6919 32.4908 174.8340 140 N 5.0263 8.3260 116.9038 51.0472 39.2892 174.8770 141 K 3.7980 8.2301 122.6468 60.0259 32.6093 176.7151 142 A 3.9847 8.0038 120.1475 55.2412 18.3415 179.1061 143 E 3.8609 8.3415 117.7611 59.3501 29.6472 178.2565 144 Y 4.1611 8.0542 119.1040 61.0079 38.8801 177.6718 145 D 4.2260 8.5633 120.1014 57.2064 41.0349 178.7231 146 K 3.7708 8.0183 119.9774 59.5448 32.1308 179.0520 147 K 3.6645 7.8450 118.6593 59.0743 31.8325 179.5705 148 V 2.8442 7.3966 118.7308 65.7123 31.1601 178.1588 149 L 3.8592 7.7705 118.8358 57.6023 41.3899 179.5384 150 L 3.8917 7.5838 118.7561 57.7458 41.6377 179.3110 151 Q 4.0903 8.1024 119.3124 58.7790 28.6664 178.0346 152 A 4.4292 7.5658 122.8593 54.6225 18.7002 179.4534 153 K 4.0700 7.8982 117.0636 59.4397 31.8893 179.2181 154 Q 3.8772 7.9050 119.1419 58.4083 29.0409 176.7888 155 Y 4.7599 7.8626 116.6475 57.5772 38.7402 175.9538 156 S 4.8695 7.7722 119.9830 57.8597 63.3484 173.6741 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 3 S 8.19 4.46 0.00 4.04 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 4 L 8.32 3.78 0.00 1.86 1.71 0.90 0.44 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 5 C 8.76 4.59 0.00 3.30 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 6 L 7.90 4.11 0.00 1.75 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.19 4.09 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 8 R 7.81 4.44 0.00 1.96 2.10 0.00 3.27 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.74 0.00 9 L 8.08 4.02 0.00 1.94 1.75 0.89 -0.25 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 10 Q 8.25 4.12 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 11 E 8.19 4.07 0.00 2.23 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 2.66 0.00 12 E 8.37 4.05 0.00 2.19 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 2.59 2.43 0.00 13 R 8.39 4.38 0.00 2.20 2.22 0.00 2.93 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 14 K 8.20 3.99 0.00 2.05 2.02 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 15 K 8.40 3.88 0.00 1.99 2.12 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 16 W 8.49 4.29 0.00 3.63 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 17 R 8.54 4.23 0.00 1.94 2.09 0.00 3.27 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.12 0.00 18 K 7.47 4.51 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.63 7.81 19 D 7.34 4.44 0.00 2.51 2.45 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 20 H 7.99 4.24 0.00 1.40 1.74 0.00 5.55 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.16 0.00 1.19 1.67 0.00 3.03 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 22 F 8.75 4.29 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.26 3.71 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 0.00 0.00 0.00 24 F 7.74 5.06 0.00 3.12 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 25 Y 8.25 5.42 0.00 3.14 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 26 A 8.83 5.18 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.59 3.95 0.00 1.66 1.86 0.00 1.34 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.29 7.81 28 P 0.00 4.07 0.00 1.52 1.62 0.00 3.07 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 29 V 8.47 4.01 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 0.69 0.00 0.00 0.99 0.00 0.00 30 K 8.39 4.52 0.00 1.61 1.72 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.38 7.81 31 K 9.79 4.17 0.00 1.70 1.77 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.37 7.81 32 A 8.33 3.99 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 33 D 7.95 4.77 0.00 2.91 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 34 G 8.50 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.88 4.49 0.00 3.91 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 36 M 8.37 4.74 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 37 D 8.58 4.69 0.00 2.81 2.56 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 38 L 8.62 4.19 0.00 1.73 1.83 0.95 0.87 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 39 Q 8.43 4.54 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 40 K 8.56 4.94 0.00 2.08 1.66 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.57 7.81 41 W 9.50 5.33 0.00 3.13 3.04 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 0.00 0.00 0.00 42 E 9.20 5.14 0.00 1.97 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 2.24 2.25 0.00 43 A 9.22 5.05 1.02 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 0.00 0.00 44 G 7.83 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 0.00 0.00 0.00 45 I 8.62 4.37 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.89 0.00 0.00 46 P 0.00 4.75 0.00 1.94 1.93 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 47 G 8.66 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 0.00 0.00 0.00 0.00 48 K 8.71 4.42 0.00 1.94 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.53 7.81 49 E 8.62 4.02 0.00 2.03 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 2.40 2.41 0.00 50 G 9.11 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.42 4.85 4.53 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 0.00 0.00 0.00 1.41 0.00 0.00 52 N 8.83 4.46 0.00 2.59 2.72 0.00 0.00 6.96 7.68 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 53 W 8.20 4.40 0.00 3.53 3.50 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 54 A 7.85 4.23 1.45 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 55 G 9.31 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 0.00 0.00 0.00 56 G 7.76 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.52 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 0.86 0.00 0.00 0.88 0.00 0.00 58 Y 8.56 4.41 0.00 3.11 2.75 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 0.00 0.00 0.00 59 P 0.00 4.90 0.00 2.13 2.16 0.00 3.21 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 1.98 2.14 0.00 60 I 8.56 4.74 1.40 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.03 -0.19 0.00 0.00 61 T 8.57 4.97 4.19 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 0.00 0.00 1.19 0.00 0.00 62 V 8.67 4.46 1.80 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 0.19 0.00 0.00 0.64 0.00 0.00 63 E 8.75 4.96 0.00 1.76 1.73 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 2.19 2.17 0.00 64 Y 8.66 4.55 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.56 0.00 2.43 2.16 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 66 N 8.60 4.51 0.00 2.77 2.97 0.00 0.00 6.95 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 67 E 8.33 4.12 0.00 2.13 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 2.42 2.38 0.00 68 Y 7.75 4.62 0.00 3.19 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 3.77 0.00 1.92 1.25 0.00 3.70 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 70 S 8.11 4.29 0.00 4.07 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 71 K 7.75 4.53 0.00 1.75 1.64 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 72 P 0.00 3.04 0.00 1.16 0.49 0.00 3.45 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.32 0.00 73 P 0.00 4.30 0.00 1.12 0.72 0.00 2.93 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 74 K 8.31 4.46 0.00 1.53 1.58 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.17 7.81 75 V 7.97 4.69 1.86 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 0.70 0.00 0.00 0.65 0.00 0.00 76 K 8.56 5.03 0.00 1.62 1.59 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.31 7.81 77 F 9.10 4.84 0.00 2.86 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 78 P 0.00 4.73 0.00 2.38 2.16 0.00 3.74 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 79 A 8.59 4.42 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 80 G 8.60 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 0.00 0.00 0.00 81 F 7.99 4.09 0.00 3.25 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 82 Y 8.25 4.45 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 7.79 4.32 0.00 3.16 2.98 0.00 5.74 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 3.66 0.00 0.70 0.49 0.00 2.59 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.31 0.00 85 N 7.99 4.72 0.00 2.75 2.78 0.00 0.00 6.66 7.68 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 86 V 7.27 4.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.91 0.00 0.00 87 Y 8.32 4.55 0.00 3.16 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 88 P 0.00 4.46 0.00 2.27 2.20 0.00 3.84 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 89 S 8.11 4.24 0.00 4.01 4.03 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 0.00 0.00 0.00 90 G 8.67 4.46 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 0.00 91 T 7.91 4.42 4.44 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 1.28 0.00 0.00 92 I 8.31 4.84 1.81 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.94 0.00 0.00 93 C 8.07 4.64 0.00 2.98 2.94 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 94 L 8.21 4.53 0.00 1.67 1.50 0.89 0.91 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 95 S 8.92 5.00 0.00 3.95 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 96 I 7.82 4.09 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.95 0.00 0.00 97 L 7.83 4.43 0.00 1.55 1.45 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.09 4.87 0.00 2.81 2.82 0.00 0.00 6.82 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 99 E 9.01 4.33 0.00 2.24 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 0.00 2.32 2.33 0.00 100 D 8.45 4.64 0.00 2.87 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 Q 8.98 4.25 0.00 2.32 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 102 D 6.05 4.86 0.00 2.80 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 0.00 103 W 8.32 5.11 0.00 3.50 3.14 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 0.00 0.00 0.00 104 R 6.21 3.88 0.00 1.63 1.66 0.00 2.88 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.30 0.00 105 P 0.00 3.76 0.00 1.86 2.04 0.00 3.37 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.15 0.00 106 A 7.42 3.99 1.14 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 0.00 0.00 0.00 0.00 0.00 107 I 7.14 3.90 1.71 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 1.28 0.35 1.10 0.00 0.00 108 T 9.12 4.72 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 1.30 0.00 0.00 109 L 8.63 3.86 0.00 1.63 1.69 0.47 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.22 4.16 0.00 2.00 1.86 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.47 7.81 111 Q 7.93 4.05 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 I 7.68 3.68 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.76 0.00 0.00 113 V 7.89 3.67 2.35 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 0.67 0.00 0.00 0.98 0.00 0.00 114 L 8.08 4.21 0.00 1.75 1.72 0.86 0.76 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 0.00 115 G 7.75 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 0.00 116 V 7.96 3.69 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 0.88 0.00 0.00 0.86 0.00 0.00 117 Q 8.36 3.96 0.00 2.51 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 118 D 8.20 4.40 0.00 2.83 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 0.00 119 L 7.76 4.03 0.00 1.80 1.62 0.93 0.71 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 0.00 120 L 6.99 2.96 0.00 1.17 0.13 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.56 5.10 0.00 3.03 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 0.00 122 S 7.54 4.69 0.00 4.03 3.80 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 0.00 123 P 0.00 4.24 0.00 0.89 1.05 0.00 3.38 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.52 0.00 124 N 9.68 4.72 0.00 2.77 2.74 0.00 0.00 6.84 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 0.00 125 P 0.00 4.13 0.00 2.10 2.17 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 126 N 8.15 4.77 0.00 2.88 2.86 0.00 0.00 6.72 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 0.00 127 S 7.89 4.66 0.00 4.00 3.75 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 0.00 0.00 0.00 128 P 0.00 4.56 0.00 2.10 1.82 0.00 3.76 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 129 A 7.82 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.08 4.38 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 131 E 9.11 4.16 0.00 2.14 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 2.49 0.00 132 P 0.00 4.37 0.00 2.34 2.19 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 133 A 7.87 4.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.26 3.91 0.00 3.54 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 0.00 135 R 8.35 4.02 0.00 2.11 2.23 0.00 3.16 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 1.71 1.75 0.00 136 S 8.37 4.21 0.00 4.25 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 0.00 137 F 8.21 3.41 0.00 1.91 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 0.00 138 S 8.36 4.53 0.00 4.15 4.03 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 0.00 0.00 0.00 139 R 8.42 4.60 0.00 1.76 1.93 0.00 3.14 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 140 N 8.33 5.03 0.00 2.71 2.70 0.00 0.00 6.66 7.30 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 0.00 141 K 8.23 3.80 0.00 1.72 1.78 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.44 7.81 142 A 8.00 3.98 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 0.00 143 E 8.34 3.86 0.00 2.21 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 0.00 2.32 2.37 0.00 144 Y 8.05 4.16 0.00 3.14 3.15 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 0.00 145 D 8.56 4.23 0.00 2.82 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 0.00 146 K 8.02 3.77 0.00 1.85 1.89 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.40 7.81 147 K 7.85 3.66 0.00 1.31 0.82 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.07 1.49 7.81 148 V 7.40 2.84 1.65 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 -0.53 0.00 0.00 0.06 0.00 0.00 149 L 7.77 3.86 0.00 1.73 1.59 0.85 0.79 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 0.00 150 L 7.58 3.89 0.00 1.69 1.56 0.78 0.53 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 0.00 151 Q 8.10 4.09 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 152 A 7.57 4.43 1.45 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 0.00 153 K 7.90 4.07 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.61 7.81 154 Q 7.91 3.88 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.42 0.00 0.00 0.00 0.00 0.00 1.57 2.12 0.00 155 Y 7.86 4.76 0.00 3.10 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 0.00 156 S 7.77 4.87 0.00 3.99 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