NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9988 8.3549 109.7419 45.5204 0.0000 173.2065 5 S 4.3697 8.7300 113.9095 60.5465 63.5799 175.5466 6 R 3.8260 8.0979 120.4195 59.3630 31.4030 177.2606 7 R 3.6335 8.0597 116.9844 59.4399 29.7266 176.3618 8 Y 4.4290 8.0682 111.9344 57.7178 38.1641 174.9112 9 D 4.5683 7.7332 121.1496 53.7567 41.3007 176.4725 10 S 4.1394 8.7336 123.5665 59.6676 63.5444 173.9235 11 R 3.7885 8.5245 119.8130 57.0373 26.6441 177.0518 12 T 3.8700 7.8182 107.4755 63.4367 69.9316 175.5442 13 T 4.5686 7.2053 112.6490 61.2772 68.6966 173.1970 14 I 4.4939 7.3358 113.8376 59.7302 40.9784 174.6381 15 F 4.9128 8.4085 119.8581 56.6280 40.0363 176.2104 16 S 4.6696 8.5045 118.6800 55.9216 64.0359 173.4448 17 P 3.8417 0.0000 0.0000 65.7845 31.0291 177.4904 18 E 4.1135 8.1012 114.7955 56.3892 29.7875 176.1339 19 G 3.5168 8.6428 107.6172 46.9852 0.0000 173.6475 20 R 4.6418 7.9187 116.3779 53.6829 33.9346 175.7280 21 L 4.6328 7.9678 119.8903 53.7845 41.7702 177.0818 22 Y 3.6072 7.2594 121.2804 61.4908 37.8200 178.7491 23 Q 4.0088 8.0493 117.8307 59.2412 28.9552 179.4901 24 V 3.5751 7.5890 118.5236 66.0262 31.6917 177.8082 25 E 3.9833 8.1219 118.3348 59.7363 29.2910 179.0269 26 Y 4.4826 8.1547 116.7817 60.8037 37.7948 178.2305 27 A 4.0450 8.4571 122.2823 55.0891 18.4908 179.5112 28 L 3.9234 8.0924 117.5890 58.0890 41.5065 179.2833 29 E 3.9413 8.1299 117.9040 59.3532 29.7559 178.6963 30 S 4.3057 8.0581 113.0459 61.5385 62.5315 175.9880 31 I 3.7129 7.9956 123.1138 64.4876 36.6824 178.2760 32 S 4.2896 8.0853 113.3105 60.6561 62.7305 174.5308 33 H 4.6490 7.8921 117.9943 55.5393 29.1674 174.8717 34 A 4.3831 8.0392 123.6213 50.7398 19.4422 177.5809 35 G 4.0318 8.5202 106.8051 46.4281 0.0000 173.5964 36 T 4.3329 8.6537 120.4904 63.4479 69.9389 173.1697 37 A 5.1503 8.4748 125.8461 50.2426 22.0254 175.2654 38 I 4.5229 9.4044 123.6663 59.3390 40.6766 175.1303 39 G 4.3421 8.6508 111.9025 44.6256 0.0000 171.7769 40 I 4.6875 8.8856 126.9772 59.4933 40.6682 174.2311 41 M 4.7908 8.8080 126.6293 54.0714 33.4824 175.2732 42 A 4.6695 8.5667 130.7316 50.5180 21.4706 176.3515 43 S 4.3759 8.5921 111.9632 60.5202 63.3796 174.6832 44 D 4.8864 9.2764 119.4605 50.3588 39.6817 176.1862 45 G 4.1603 6.9614 107.6552 45.8249 0.0000 171.6502 46 I 5.0797 7.5921 119.1171 59.3877 41.1022 175.4489 47 V 4.4784 9.0009 125.0988 61.0474 34.3880 174.1427 48 L 5.2782 8.6339 126.4890 52.9393 44.3471 175.6658 49 A 4.8923 9.1019 124.7163 50.2590 22.7194 174.5261 50 A 4.9749 8.3843 120.8130 50.5235 22.6674 175.2762 51 E 4.3816 9.2592 123.0327 54.4758 31.1134 175.8692 52 R 4.0187 8.5791 127.0815 56.1649 30.5633 176.2217 53 K 4.1007 8.5765 124.6572 56.4067 33.1471 172.9428 54 V 3.1705 8.5257 130.8134 62.8092 32.2586 171.4324 55 T 4.6327 8.0601 114.4323 61.0299 71.3901 171.8074 56 S 4.6373 8.0293 114.4244 57.0469 65.4603 174.6110 57 T 3.9565 8.4184 119.4985 66.0827 68.2647 175.8876 58 L 4.2624 7.5698 119.4277 55.3854 42.2578 176.8575 59 L 3.8544 7.2309 120.9010 54.9038 42.1528 175.9461 60 E 4.0844 8.7168 127.4677 56.1308 29.8250 175.6645 61 Q 4.2414 8.6178 128.0607 58.1935 29.8602 177.3340 62 D 4.3862 8.1507 116.7488 57.0503 40.9104 177.0173 63 T 4.3558 7.7509 112.5650 63.2635 69.1242 174.3441 63A S 4.5426 7.4790 116.6227 57.7607 63.5240 174.3846 64 T 4.1341 7.8369 119.7665 63.3810 69.7715 172.8734 65 E 4.8255 8.4533 122.5805 54.7200 31.5043 176.9174 66 K 4.6383 7.6781 116.3853 55.5594 35.6471 175.3921 67 L 5.1387 7.6134 119.2161 53.0528 43.4086 175.5907 68 Y 4.7978 8.8245 121.6104 55.8484 41.7974 174.9800 69 K 4.3925 8.8259 124.4942 55.7119 33.1789 176.1669 70 L 4.4084 8.5359 125.7166 56.1485 42.8472 175.2830 71 N 4.8903 7.7101 113.7311 52.8293 41.7020 173.0070 72 D 4.6682 8.6333 116.3860 55.5323 41.5170 177.0573 73 K 4.6859 7.9629 116.4348 55.5939 35.4762 175.6368 74 I 5.1187 7.7761 120.2777 59.5900 40.3973 174.4281 75 A 5.0986 8.6855 125.4844 50.9248 23.1443 175.5213 76 V 4.9650 9.0034 111.9290 59.5222 36.5331 174.4581 77 A 5.2946 8.8289 124.3363 50.3126 21.5035 175.6659 78 V 4.6291 8.7949 122.2644 61.2173 34.0448 175.4427 79 A 4.2913 8.9545 127.6182 52.8913 21.5524 173.9097 80 G 3.6925 8.7035 112.4884 45.0090 0.0000 172.9306 81 L 4.0784 8.7657 125.7410 54.9562 41.7773 177.7201 82 T 3.8617 8.8901 121.4013 66.7865 68.3104 176.0361 83 A 4.0031 8.0567 121.7816 55.5187 18.4408 179.2448 84 D 4.4425 8.1357 116.4740 57.3982 40.9783 178.6584 85 A 3.9633 8.1041 121.2684 55.3340 18.4033 179.4860 86 E 3.7902 8.4146 117.3524 59.3981 29.3165 179.6548 87 I 3.6847 7.5089 119.8492 64.5268 37.1963 178.4072 88 L 3.7990 7.5524 119.0749 57.7163 41.3759 179.6750 89 I 3.4975 8.1440 120.0946 64.3766 37.1762 177.9205 90 N 4.2937 8.1807 118.0325 56.9588 38.7128 177.0134 91 T 3.9264 7.7907 110.7714 64.4110 68.8173 176.5052 92 A 3.9232 8.0416 123.8381 55.2752 18.4444 179.7800 93 R 3.9173 8.3515 116.8697 59.4669 29.9556 179.4887 94 I 3.8009 7.6154 119.2882 64.4798 37.1888 177.7778 95 H 4.2126 8.5221 119.0730 59.1047 29.6373 177.0413 96 A 3.9517 8.0059 122.5518 55.5427 18.2941 179.7751 97 Q 4.0513 7.9715 115.9785 58.9342 28.6195 178.7853 98 N 4.3414 8.5549 118.0879 56.3693 38.5280 176.6559 99 Y 3.9384 8.1120 120.9115 60.7604 38.9249 178.0027 100 L 4.5235 8.1260 122.5244 57.6281 41.9289 178.8817 101 K 3.9828 7.9213 118.8667 59.5187 32.1765 178.7889 102 T 3.7658 7.8304 115.6334 65.8381 68.4827 175.0507 103 Y 4.5347 7.5602 115.0517 56.7999 39.3237 175.2685 104 N 4.4147 8.2423 116.1612 53.7628 36.7829 173.8722 105 E 4.8472 7.8339 114.4114 54.6913 33.9220 175.0039 106 D 4.6516 8.5625 121.6297 54.0487 41.5831 176.2504 107 I 2.7239 8.0605 123.0197 59.6104 38.5202 174.0645 108 P 4.1036 0.0000 0.0000 62.7146 32.1295 176.8988 109 V 3.4455 8.4573 122.6757 66.4866 31.3042 178.1698 110 E 3.7946 7.9571 118.0538 59.1732 29.4333 178.4538 111 I 3.6339 7.3655 119.9801 64.3205 37.2381 178.1575 112 L 3.9497 7.5680 120.6246 57.9864 42.0059 179.0074 113 V 2.9603 7.3312 118.1826 65.7077 31.3879 178.0578 114 R 3.8493 8.4534 118.8417 59.0466 29.9600 178.5800 115 R 3.8175 7.7161 118.4063 59.4473 30.1634 178.4635 116 L 3.9749 7.6611 118.3476 58.0116 41.6157 179.8049 117 S 4.2219 8.0849 115.0728 61.6694 62.7160 176.4667 118 D 4.5155 8.1858 121.6763 57.1918 40.2641 178.8067 119 I 3.7685 7.3714 119.2523 64.4156 37.3493 178.1273 120 K 4.2313 8.0215 119.1323 59.8236 31.9834 179.0797 121 Q 4.1481 8.8240 120.0817 59.1262 28.8092 178.8448 122 G 3.6220 8.1527 106.8364 47.9627 0.0000 174.9003 123 Y 4.0121 7.9867 116.1595 59.4466 37.8126 177.4822 124 T 4.2929 7.6476 116.6436 64.1803 69.4934 175.0587 125 Q 4.3958 7.6307 119.8599 56.4214 30.5990 174.4842 126 H 4.6821 7.6112 110.4587 55.2534 30.6360 172.8266 127 G 3.8502 9.4774 108.5048 44.5627 0.0000 175.5875 128 G 4.2863 8.1016 105.5191 46.0630 0.0000 173.0282 129 L 4.7253 6.9415 118.3497 52.1212 43.8816 176.8027 130 R 4.0999 8.1751 117.2228 55.4326 30.0892 174.7566 131 P 4.5253 0.0000 0.0000 62.1020 32.2713 175.7378 132 F 4.4043 8.4528 118.4781 57.2688 40.2397 177.4823 133 G 4.0403 8.7174 114.9722 44.8700 0.0000 172.7318 134 V 4.8742 7.3269 118.4739 61.4950 35.8657 174.9178 135 S 4.6897 8.6465 121.7951 56.7155 66.4247 173.0459 136 F 5.3014 8.8345 121.9944 55.6631 42.1043 174.8818 137 I 4.5000 8.3306 122.2286 59.9352 39.7487 174.0547 138 Y 4.9716 8.8976 125.0108 56.4566 39.6679 175.2182 139 A 4.6656 9.5174 126.4973 50.3278 21.3809 175.0166 140 G 5.0661 8.5185 107.2156 45.7856 0.0000 169.7764 141 Y 4.9537 8.4166 119.8454 55.8629 41.7020 173.7505 142 D 4.6427 7.4541 124.1513 51.7340 42.6760 173.7767 143 D 4.6174 8.2995 116.7306 53.6664 39.8048 176.4570 144 R 4.0840 8.4306 126.3304 57.3235 30.2752 174.7224 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 4 G 8.35 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 5 S 8.73 4.37 0.00 4.04 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 6 R 8.10 3.83 0.00 1.84 1.90 0.00 3.17 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 1.68 1.67 0.00 7 R 8.06 3.63 0.00 1.51 1.09 0.00 2.32 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.37 0.00 8 Y 8.07 4.43 0.00 2.94 2.98 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 9 D 7.73 4.57 0.00 2.71 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 10 S 8.73 4.14 0.00 3.91 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 11 R 8.52 3.79 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 12 T 7.82 3.87 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 13 T 7.21 4.57 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 1.19 0.00 0.00 14 I 7.34 4.49 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.18 0.93 0.00 0.00 15 F 8.41 4.91 0.00 3.09 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 16 S 8.50 4.67 0.00 3.70 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 17 P 0.00 3.84 0.00 2.09 2.20 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 18 E 8.10 4.11 0.00 1.88 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 2.30 2.35 0.00 19 G 8.64 3.52 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 0.00 0.00 0.00 20 R 7.92 4.64 0.00 1.65 1.77 0.00 3.05 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 21 L 7.97 4.63 0.00 1.58 1.50 0.84 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.26 3.61 0.00 2.86 2.51 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 23 Q 8.05 4.01 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 24 V 7.59 3.58 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 25 E 8.12 3.98 0.00 1.96 1.99 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 2.37 2.35 0.00 26 Y 8.15 4.48 0.00 3.00 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 27 A 8.46 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.09 3.92 0.00 1.94 1.76 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.13 3.94 0.00 2.15 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 0.00 2.38 2.46 0.00 30 S 8.06 4.31 0.00 4.00 4.14 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 31 I 8.00 3.71 1.98 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 1.80 0.68 0.93 0.00 0.00 32 S 8.09 4.29 0.00 3.94 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 33 H 7.89 4.65 0.00 3.31 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.04 4.38 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 35 G 8.52 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 36 T 8.65 4.33 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 37 A 8.47 5.15 1.17 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 0.00 0.00 0.00 0.00 0.00 38 I 9.40 4.52 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.92 0.00 0.00 39 G 8.65 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 0.00 0.00 0.00 0.00 40 I 8.89 4.69 1.88 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 0.67 0.92 0.00 0.00 41 M 8.81 4.79 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 42 A 8.57 4.67 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 43 S 8.59 4.38 0.00 4.00 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 44 D 9.28 4.89 0.00 2.76 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 45 G 6.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.59 5.08 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.97 0.00 0.00 47 V 9.00 4.48 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 1.07 0.00 0.00 0.93 0.00 0.00 48 L 8.63 5.28 0.00 1.52 1.53 0.94 0.76 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 49 A 9.10 4.89 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 50 A 8.38 4.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.26 4.38 0.00 2.00 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 2.24 2.27 0.00 52 R 8.58 4.02 0.00 1.83 1.94 0.00 3.24 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 53 K 8.58 4.10 0.00 1.71 1.70 0.00 2.03 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 V 8.53 3.17 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.06 4.63 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 56 S 8.03 4.64 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.42 3.96 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 58 L 7.57 4.26 0.00 1.65 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.23 3.85 0.00 1.60 1.74 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.72 4.08 0.00 1.95 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 0.00 2.29 2.35 0.00 61 Q 8.62 4.24 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 62 D 8.15 4.39 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.75 4.36 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 63A S 7.48 4.54 0.00 4.03 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 64 T 7.84 4.13 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 65 E 8.45 4.83 0.00 2.07 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 2.13 2.22 0.00 66 K 7.68 4.64 0.00 1.63 1.80 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.41 7.81 67 L 7.61 5.14 0.00 1.32 1.46 0.89 0.72 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 68 Y 8.82 4.80 0.00 2.88 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 69 K 8.83 4.39 0.00 1.74 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.49 7.81 70 L 8.54 4.41 0.00 1.68 1.69 0.91 0.89 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 71 N 7.71 4.89 0.00 2.66 2.79 0.00 0.00 7.24 7.80 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 72 D 8.63 4.67 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.96 4.69 0.00 1.71 2.04 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 74 I 7.78 5.12 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.98 0.00 0.00 75 A 8.69 5.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 9.00 4.97 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 0.32 0.00 0.00 0.97 0.00 0.00 77 A 8.83 5.29 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 78 V 8.79 4.63 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.21 0.00 0.00 79 A 8.95 4.29 1.17 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 0.00 0.00 0.00 0.00 0.00 80 G 8.70 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.77 4.08 0.00 1.64 1.65 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.89 3.86 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 1.31 0.00 0.00 83 A 8.06 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.14 4.44 0.00 2.94 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 85 A 8.10 3.96 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 86 E 8.41 3.79 0.00 2.09 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 0.00 2.00 2.43 0.00 87 I 7.51 3.68 2.11 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 1.79 1.85 0.99 0.00 0.00 88 L 7.55 3.80 0.00 1.88 1.63 0.60 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.14 3.50 1.80 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.78 0.00 0.00 90 N 8.18 4.29 0.00 2.81 2.93 0.00 0.00 7.03 6.83 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 91 T 7.79 3.93 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 1.22 0.00 0.00 92 A 8.04 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.35 3.92 0.00 1.98 2.01 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 94 I 7.62 3.80 2.04 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 1.42 0.82 0.94 0.00 0.00 95 H 8.52 4.21 0.00 3.23 3.45 0.00 5.79 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 96 A 8.01 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 7.97 4.05 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 98 N 8.55 4.34 0.00 2.93 2.89 0.00 0.00 6.55 8.19 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 99 Y 8.11 3.94 0.00 3.17 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 0.00 100 L 8.13 4.52 0.00 1.92 1.88 1.03 0.40 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 0.00 101 K 7.92 3.98 0.00 1.87 1.91 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.83 3.77 3.52 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 0.05 0.00 0.00 103 Y 7.56 4.53 0.00 2.60 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 0.00 104 N 8.24 4.41 0.00 2.90 2.93 0.00 0.00 6.72 7.03 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 0.00 105 E 7.83 4.85 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 106 D 8.56 4.65 0.00 2.69 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 0.00 107 I 8.06 2.72 1.51 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 0.90 -0.36 0.75 0.00 0.00 108 P 0.00 4.10 0.00 2.00 1.82 0.00 2.86 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 109 V 8.46 3.45 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 0.92 0.00 0.00 0.88 0.00 0.00 110 E 7.96 3.79 0.00 1.97 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 2.28 2.30 0.00 111 I 7.37 3.63 1.77 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 1.34 1.09 0.86 0.00 0.00 112 L 7.57 3.95 0.00 1.56 1.67 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.33 2.96 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 0.34 0.00 0.00 -0.05 0.00 0.00 114 R 8.45 3.85 0.00 1.84 1.85 0.00 3.13 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 115 R 7.72 3.82 0.00 1.99 2.06 0.00 3.14 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.59 0.00 116 L 7.66 3.97 0.00 1.72 1.73 0.75 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.08 4.22 0.00 4.02 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 0.00 118 D 8.19 4.52 0.00 2.94 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 I 7.37 3.77 2.06 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 1.79 0.71 0.98 0.00 0.00 120 K 8.02 4.23 0.00 2.08 1.97 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.57 7.81 121 Q 8.82 4.15 0.00 2.17 2.34 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 2.39 2.57 0.00 122 G 8.15 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.99 4.01 0.00 3.10 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 0.00 124 T 7.65 4.29 4.48 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 1.14 0.00 0.00 125 Q 7.63 4.40 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 126 H 7.61 4.68 0.00 3.18 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.48 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 0.00 128 G 8.10 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 0.00 0.00 0.00 0.00 129 L 6.94 4.73 0.00 1.41 1.60 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.18 4.10 0.00 1.91 1.92 0.00 3.01 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 131 P 0.00 4.53 0.00 2.09 2.10 0.00 3.68 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 2.04 2.13 0.00 132 F 8.45 4.40 0.00 2.90 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 0.00 133 G 8.72 4.04 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 0.00 0.00 0.00 134 V 7.33 4.87 1.85 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 -0.24 0.00 0.00 0.85 0.00 0.00 135 S 8.65 4.69 0.00 3.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 5.30 0.00 2.53 1.89 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 0.00 137 I 8.33 4.50 1.88 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 1.26 0.73 0.95 0.00 0.00 138 Y 8.90 4.97 0.00 2.78 2.87 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 0.00 139 A 9.52 4.67 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 0.00 140 G 8.52 5.07 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 0.00 141 Y 8.42 4.95 0.00 2.98 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 0.00 142 D 7.45 4.64 0.00 2.58 2.41 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 0.00 143 D 8.30 4.62 0.00 2.82 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 0.00 144 R 8.43 4.08 0.00 1.61 1.80 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00