NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4093 8.3049 118.1871 54.9684 32.6200 174.4605 2 M 3.9352 8.0907 118.2660 53.2869 32.5613 174.4121 3 Q 4.5196 7.7375 118.5156 54.1486 32.7976 173.8891 4 I 3.9957 8.4588 119.5850 61.3723 38.5023 176.5320 5 S 4.5648 8.8642 122.4676 57.4019 65.6257 175.6497 6 S 4.0595 8.3848 117.3897 61.6509 62.4078 176.3572 7 N 4.3539 8.2171 119.4487 56.6762 38.6996 176.9646 8 G 3.5889 8.1671 107.0866 47.7789 0.0000 175.7999 9 I 3.6455 7.9848 122.4123 64.3653 37.1682 178.5685 10 T 3.8426 8.0817 116.7665 66.8737 68.3183 176.9230 11 R 3.9486 8.1733 119.9814 59.0464 29.9684 178.9330 12 L 3.9418 8.0707 120.2497 58.0426 42.0187 179.0654 13 K 3.9085 8.3472 118.8596 59.6824 31.7955 179.3952 14 R 4.0235 7.8339 116.7092 58.5543 30.0808 178.5398 15 E 4.1731 7.9734 118.3105 59.2132 29.6117 178.4459 16 E 4.2587 8.4367 117.8274 55.9738 30.2428 177.7417 17 G 4.0759 8.1326 105.2017 45.8024 0.0000 172.0967 18 E 4.8593 8.4078 121.7257 54.0288 32.1177 175.3662 19 R 4.5964 8.8018 123.7088 54.7262 33.6387 175.6383 20 L 4.4593 8.8253 123.2682 55.1229 43.0548 176.2374 21 K 5.1610 7.8355 118.2815 53.9558 34.5220 176.0340 22 A 4.6072 8.6995 126.7837 52.8170 19.2074 176.0508 23 Y 4.9188 8.7486 117.7865 55.9688 42.4614 173.6258 24 S 5.0709 8.5753 115.9438 56.7258 64.6156 174.7025 25 D 4.8550 8.6338 125.3308 52.6601 40.1790 177.0774 26 S 4.2545 8.5949 112.7629 60.6072 63.0169 175.0854 27 R 4.2047 7.9741 118.5599 56.0572 30.5227 176.9267 28 G 4.0717 8.1937 105.5594 44.8746 0.0000 173.3567 29 I 4.1677 8.3238 122.0879 59.3929 38.4905 173.7544 30 P 4.6284 0.0000 0.0000 63.2578 31.8056 175.9237 31 T 4.8277 8.6297 120.0093 62.2217 73.4308 172.5585 32 I 4.8284 8.7486 122.9551 59.7787 42.4216 176.4643 33 G 3.8255 9.4237 114.7604 47.2345 0.0000 176.5704 34 V 4.7239 8.3766 117.9798 61.1187 30.3798 174.7382 35 G 4.0363 8.5570 108.8358 45.8830 0.0000 170.2178 36 H 4.7033 8.4484 120.5583 55.4629 30.3305 175.7709 37 T 4.4280 8.2614 115.5802 61.5436 70.0319 174.6158 38 G 3.8139 7.2059 111.0857 44.2488 0.0000 173.0071 39 K 4.4027 8.2345 118.7626 56.2114 32.8792 177.0823 40 V 4.3068 8.4401 119.6084 62.4917 33.8646 175.0530 41 D 4.3521 10.0635 126.4415 55.3532 38.3174 174.7199 42 G 3.9886 8.6890 105.3674 45.3334 0.0000 173.6849 43 N 5.0792 7.8979 116.9297 50.8895 41.3830 174.3040 44 S 4.4424 8.4484 117.7444 58.0163 63.5747 174.6003 45 V 3.5468 8.2950 123.9916 63.6428 31.8097 174.8880 46 A 4.5276 8.2592 127.2695 50.6399 21.8843 175.0955 47 S 4.2805 8.5815 114.3362 60.2221 62.5386 174.5785 48 G 4.0853 9.0230 115.3512 45.4727 0.0000 173.3644 49 M 4.4384 8.2157 120.8782 55.6156 33.2609 175.2754 50 T 5.3655 8.4817 114.8506 60.0293 72.1708 172.5297 51 I 4.8735 8.4605 115.5888 59.6235 41.3891 174.5812 52 T 4.3434 8.3252 112.5354 60.3681 70.3721 175.6918 53 A 3.9527 8.4244 123.2578 55.0040 18.1640 179.3772 54 E 3.8301 8.1469 117.4791 59.4080 29.7437 178.8288 55 K 3.8704 7.9886 119.5280 59.5109 32.2545 178.4686 56 S 4.0876 8.2929 113.5936 61.6889 62.1983 176.4422 57 S 4.1041 8.3513 117.9598 61.6824 62.6938 176.5982 58 E 3.9499 8.4739 121.5475 59.2430 29.0921 179.3754 59 L 3.9639 8.3526 119.6172 57.6514 41.6743 179.3203 60 L 3.9394 8.0648 120.3119 58.0552 41.7938 179.0985 61 K 3.9015 8.0201 117.7369 59.3827 32.2370 178.6514 62 E 4.1032 8.1106 119.1575 59.3803 29.4410 178.5709 63 D 4.6581 8.3694 117.9195 56.8327 41.1076 177.8240 64 L 3.9678 7.9265 118.1957 55.2608 41.6093 178.3472 65 Q 3.9536 8.0273 121.7237 58.9594 28.9723 178.2550 66 W 4.2489 8.1323 117.3427 59.3587 28.2089 178.5090 67 V 3.0061 6.5114 118.5225 65.7063 31.0164 177.6450 68 E 3.9475 8.0919 118.4559 59.6387 29.2642 179.2267 69 D 4.4087 8.4907 118.8964 57.1426 40.8745 178.6543 70 A 4.2029 7.9975 122.7511 54.6502 18.4070 179.7546 71 I 3.7053 7.7994 118.2957 64.6598 36.9791 178.5806 72 S 4.1910 8.0664 112.8836 61.4284 62.2120 175.9646 73 S 4.3744 8.4978 116.8545 60.4467 62.8245 175.7520 74 L 4.4310 8.0181 120.8414 54.1549 42.8634 176.8652 75 V 4.2748 7.5743 118.9032 62.0555 32.1358 175.5888 76 R 4.6695 9.3947 125.4761 55.8407 30.6060 175.7460 77 V 4.6582 7.4658 110.1025 58.4996 35.3527 173.7027 78 P 4.5363 0.0000 0.0000 62.6842 31.8056 176.1544 79 L 5.0011 8.2548 121.0703 52.4846 44.7578 177.0605 80 N 4.6525 9.0682 121.7997 52.1576 39.6888 176.2117 81 Q 3.9192 8.3685 120.5175 59.2017 29.0893 177.6453 82 N 4.3118 8.0836 117.1434 56.3120 38.5871 177.0549 83 Q 3.5723 8.5302 119.7919 58.9929 28.6706 178.3670 84 Y 3.9407 8.2385 120.5327 60.9795 38.9176 177.9775 85 D 4.3862 8.6808 119.9088 57.2572 40.9027 178.7432 86 A 4.1125 8.2345 121.3113 55.4952 18.3767 179.5043 87 M 4.0306 8.5371 117.5013 58.8148 31.9332 178.7220 88 C 3.7659 8.0782 116.9550 62.7537 28.1167 176.2225 89 S 4.0471 7.8982 114.1492 61.1099 61.9193 175.8656 90 L 3.9229 7.9357 122.9765 58.3680 41.7543 179.1247 91 I 3.4601 7.6194 119.8717 64.1759 36.7265 178.0999 92 F 4.0012 8.0205 120.7465 61.3139 39.1042 176.5205 93 N 4.4322 7.8382 116.3997 56.4707 39.0552 176.6321 94 I 3.9326 7.8622 113.5175 60.8122 38.5048 176.9973 95 G 4.0897 7.9656 105.9154 45.3507 0.0000 174.4307 96 K 4.1600 8.5184 119.4073 59.7310 32.1557 179.2767 97 S 4.1221 8.0012 114.7146 61.4170 62.6009 176.3104 98 A 4.0388 7.8435 122.0478 55.1319 18.4359 178.9305 99 F 4.0883 8.1683 118.8967 61.3849 39.2195 177.1407 100 A 3.8776 8.3207 119.8267 54.4245 18.1733 178.8159 101 G 3.9482 7.4960 101.3564 44.0074 0.0000 174.5811 102 S 4.7866 7.2664 116.9352 57.9364 65.5979 175.3877 103 T 3.9358 8.4782 119.4943 66.3753 68.1507 177.1088 104 V 3.6111 7.9903 120.1036 66.0371 31.5066 177.6337 105 L 3.7929 7.6768 119.6873 58.0241 41.7026 178.6890 106 R 3.8272 7.7307 118.4947 59.7522 30.0223 178.5162 107 Q 3.9618 8.3873 118.0455 58.6108 28.6032 178.2430 108 L 3.7708 8.0819 121.5941 58.4497 41.9678 178.9126 109 N 4.4566 8.0457 113.8944 55.2367 38.5466 176.3788 110 L 4.2861 7.2668 118.7564 53.8370 42.0988 176.5875 111 K 3.5244 7.8536 117.7140 57.9408 30.2408 177.2605 112 N 4.8029 7.6124 117.8308 52.2242 36.0919 174.6465 113 Y 4.2424 8.0324 122.2239 60.9221 38.5432 177.3156 114 Q 4.0657 8.3421 119.8625 59.2907 29.2721 178.0797 115 A 3.9955 8.0997 121.0680 54.9391 18.2156 179.2946 116 A 3.9416 8.0614 118.4885 55.2072 18.8803 179.3381 117 A 3.4266 7.9615 119.2436 55.3777 18.4536 179.6657 118 D 4.3554 8.3623 117.2077 57.3216 40.9532 178.5114 119 A 4.2621 8.1466 120.3248 53.8945 18.3647 179.2440 120 F 4.1911 8.3590 116.8826 60.6958 38.8011 177.2793 121 L 4.3169 8.0016 116.7340 56.7362 41.4719 178.8888 122 L 4.0275 7.8152 118.5568 56.0764 42.8174 177.6955 123 W 4.4990 7.8565 121.5842 55.4107 27.7542 176.0889 124 K 4.5263 7.5836 117.3268 56.4611 34.6142 176.7732 125 K 4.6384 7.9066 120.2983 55.5459 33.3576 175.5386 126 A 4.6354 8.6678 127.2752 51.9049 23.2176 176.0062 127 G 3.7163 8.4026 111.7974 47.3157 0.0000 174.3100 128 K 4.2986 8.7521 124.2979 55.8744 32.2728 175.3485 129 D 4.8420 7.9917 120.6398 51.6117 42.1699 174.8897 130 P 4.5197 0.0000 0.0000 64.5656 31.7246 176.5259 131 D 4.9020 8.6216 117.4749 52.9504 40.4150 177.1835 132 I 3.6524 7.9669 121.2306 63.9625 38.1995 176.3905 133 L 4.4769 8.2060 119.0046 54.8310 42.1850 178.1193 134 L 3.9979 8.2392 122.3618 57.7537 41.9268 177.0039 135 P 4.2559 0.0000 0.0000 65.4908 31.2339 178.4606 136 R 3.9236 8.0099 116.9888 59.6253 30.0151 178.5354 137 R 4.1101 8.3195 117.9316 59.4744 30.0357 179.2870 138 R 3.9577 8.4261 118.1330 59.3323 30.0590 179.3629 139 R 3.9499 8.0971 117.9136 59.2629 29.9654 179.0175 140 E 4.0063 8.5514 118.7060 59.2697 29.4750 179.2659 141 R 3.2313 8.2359 118.9324 59.1515 29.8754 178.4017 142 A 3.9622 7.8511 119.4052 54.9875 18.6924 178.9715 143 L 4.0217 7.9914 118.8193 58.3567 41.9679 178.7961 144 F 3.9922 8.1470 119.4536 61.2373 39.3505 176.3472 145 L 4.4167 7.7912 115.2035 55.5220 41.8420 177.5880 146 S 4.4169 7.8073 120.6819 58.7677 62.9519 173.6295 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.41 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 2 M 8.09 3.94 0.00 1.21 1.61 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 3 Q 7.74 4.52 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 4 I 8.46 4.00 1.92 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 1.34 1.04 0.87 0.00 0.00 5 S 8.86 4.56 0.00 4.07 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 6 S 8.38 4.06 0.00 3.86 3.93 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 7 N 8.22 4.35 0.00 2.81 2.80 0.00 0.00 7.09 7.90 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 8 G 8.17 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 9 I 7.98 3.65 1.96 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 1.61 0.89 0.86 0.00 0.00 10 T 8.08 3.84 4.36 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 1.20 0.00 0.00 11 R 8.17 3.95 0.00 1.91 1.98 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 12 L 8.07 3.94 0.00 1.74 1.71 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.35 3.91 0.00 1.97 1.84 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.61 7.81 14 R 7.83 4.02 0.00 1.80 1.99 0.00 3.32 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 15 E 7.97 4.17 0.00 2.14 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 2.59 2.53 0.00 16 E 8.44 4.26 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 17 G 8.13 4.08 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 0.00 18 E 8.41 4.86 0.00 1.91 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 2.19 2.31 0.00 19 R 8.80 4.60 0.00 1.85 1.68 0.00 2.75 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 20 L 8.83 4.46 0.00 1.62 1.92 0.96 1.01 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 21 K 7.84 5.16 0.00 1.65 1.74 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 22 A 8.70 4.61 1.27 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 0.00 0.00 0.00 23 Y 8.75 4.92 0.00 3.09 3.01 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 24 S 8.58 5.07 0.00 3.80 3.83 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 25 D 8.63 4.86 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.59 4.25 0.00 4.03 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 27 R 7.97 4.20 0.00 1.92 2.00 0.00 3.23 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 28 G 8.19 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.32 4.17 1.95 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 1.18 0.56 0.84 0.00 0.00 30 P 0.00 4.63 0.00 1.93 1.93 0.00 3.56 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 1.98 2.08 0.00 31 T 8.63 4.83 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 1.22 0.00 0.00 32 I 8.75 4.83 1.91 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 1.24 1.36 0.98 0.00 0.00 33 G 9.42 3.83 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 0.00 0.00 0.00 34 V 8.38 4.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 35 G 8.56 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 36 H 8.45 4.70 0.00 3.32 3.42 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.26 4.43 4.17 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 1.15 0.00 0.00 38 G 7.21 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.23 4.40 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 40 V 8.44 4.31 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 1.00 0.00 0.00 0.97 0.00 0.00 41 D 10.06 4.35 0.00 2.85 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 42 G 8.69 3.99 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 0.00 0.00 0.00 43 N 7.90 5.08 0.00 2.88 2.69 0.00 0.00 6.98 6.90 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 44 S 8.45 4.44 0.00 3.85 3.79 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 45 V 8.30 3.55 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 0.73 0.00 0.00 1.05 0.00 0.00 46 A 8.26 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 47 S 8.58 4.28 0.00 3.85 3.83 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 48 G 9.02 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 49 M 8.22 4.44 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 50 T 8.48 5.37 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 1.23 0.00 0.00 51 I 8.46 4.87 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.93 0.00 0.00 52 T 8.33 4.34 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 53 A 8.42 3.95 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 54 E 8.15 3.83 0.00 2.04 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 2.36 0.00 55 K 7.99 3.87 0.00 1.92 1.96 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 56 S 8.29 4.09 0.00 3.93 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 57 S 8.35 4.10 0.00 4.01 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 58 E 8.47 3.95 0.00 1.98 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 2.31 2.47 0.00 59 L 8.35 3.96 0.00 1.74 1.57 0.80 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.06 3.94 0.00 1.78 1.75 0.47 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.02 3.90 0.00 1.88 1.83 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.57 7.81 62 E 8.11 4.10 0.00 2.13 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 0.00 2.34 2.45 0.00 63 D 8.37 4.66 0.00 2.92 3.02 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 64 L 7.93 3.97 0.00 1.79 1.49 0.71 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.03 3.95 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 66 W 8.13 4.25 0.00 3.63 3.33 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 67 V 6.51 3.01 1.67 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 0.66 0.00 0.00 -0.71 0.00 0.00 68 E 8.09 3.95 0.00 2.05 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 0.00 2.44 2.44 0.00 69 D 8.49 4.41 0.00 2.97 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 70 A 8.00 4.20 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 71 I 7.80 3.71 1.92 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.52 0.94 0.00 0.00 72 S 8.07 4.19 0.00 3.94 4.10 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 73 S 8.50 4.37 0.00 4.15 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 74 L 8.02 4.43 0.00 1.92 1.77 1.07 0.71 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 75 V 7.57 4.27 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 0.94 0.00 0.00 1.15 0.00 0.00 76 R 9.39 4.67 0.00 1.79 1.91 0.00 3.34 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 77 V 7.47 4.66 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 0.75 0.00 0.00 0.95 0.00 0.00 78 P 0.00 4.54 0.00 2.11 2.03 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 79 L 8.25 5.00 0.00 1.76 1.66 1.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.07 4.65 0.00 2.89 2.85 0.00 0.00 6.34 7.81 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 81 Q 8.37 3.92 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 82 N 8.08 4.31 0.00 2.83 3.03 0.00 0.00 7.15 7.62 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 83 Q 8.53 3.57 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 84 Y 8.24 3.94 0.00 3.16 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 85 D 8.68 4.39 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 A 8.23 4.11 1.60 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 0.00 0.00 87 M 8.54 4.03 0.00 1.81 2.09 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 3.34 0.00 88 C 8.08 3.77 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.90 4.05 0.00 3.91 4.08 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 90 L 7.94 3.92 0.00 1.64 1.48 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.62 3.46 1.49 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 0.32 -0.16 0.70 0.00 0.00 92 F 8.02 4.00 0.00 2.84 3.03 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 93 N 7.84 4.43 0.00 2.79 3.03 0.00 0.00 7.24 7.83 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 94 I 7.86 3.93 1.26 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 1.30 0.37 0.69 0.00 0.00 95 G 7.97 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 96 K 8.52 4.16 0.00 2.06 1.80 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.72 7.81 97 S 8.00 4.12 0.00 3.88 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 98 A 7.84 4.04 1.05 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 99 F 8.17 4.09 0.00 2.94 3.19 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 0.00 100 A 8.32 3.88 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 0.00 101 G 7.50 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 0.00 102 S 7.27 4.79 0.00 4.43 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 0.00 103 T 8.48 3.94 4.28 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 1.22 0.00 0.00 104 V 7.99 3.61 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 1.12 0.00 0.00 0.96 0.00 0.00 105 L 7.68 3.79 0.00 0.77 1.39 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.73 3.83 0.00 2.04 1.89 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 107 Q 8.39 3.96 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 108 L 8.08 3.77 0.00 1.90 1.91 1.04 1.02 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 0.00 109 N 8.05 4.46 0.00 2.81 2.85 0.00 0.00 7.13 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.27 4.29 0.00 1.72 1.68 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.85 3.52 0.00 1.91 2.03 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.41 7.81 112 N 7.61 4.80 0.00 2.94 2.77 0.00 0.00 7.08 6.76 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 0.00 113 Y 8.03 4.24 0.00 3.09 3.24 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 0.00 114 Q 8.34 4.07 0.00 2.26 2.17 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 2.48 2.54 0.00 115 A 8.10 4.00 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 0.00 116 A 8.06 3.94 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 0.00 117 A 7.96 3.43 1.21 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 0.00 0.00 118 D 8.36 4.36 0.00 2.86 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 0.00 119 A 8.15 4.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.36 4.19 0.00 3.22 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 0.00 121 L 8.00 4.32 0.00 1.74 1.77 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.82 4.03 0.00 1.43 1.32 0.83 0.79 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 0.00 123 W 7.86 4.50 0.00 3.47 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.58 4.53 0.00 1.93 2.15 0.00 1.49 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.55 7.81 125 K 7.91 4.64 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.58 7.81 126 A 8.67 4.64 1.27 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 0.00 0.00 0.00 127 G 8.40 3.72 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 0.00 0.00 0.00 128 K 8.75 4.30 0.00 1.76 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 129 D 7.99 4.84 0.00 2.66 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 0.00 130 P 0.00 4.52 0.00 2.21 2.15 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 131 D 8.62 4.90 0.00 2.84 2.84 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 0.00 132 I 7.97 3.65 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.94 0.00 0.00 133 L 8.21 4.48 0.00 2.03 1.76 1.02 0.70 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 0.00 134 L 8.24 4.00 0.00 1.81 1.79 0.96 1.26 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 0.00 135 P 0.00 4.26 0.00 2.23 2.11 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 136 R 8.01 3.92 0.00 1.93 2.17 0.00 3.25 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 137 R 8.32 4.11 0.00 2.11 2.23 0.00 3.74 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 138 R 8.43 3.96 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 139 R 8.10 3.95 0.00 2.14 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 140 E 8.55 4.01 0.00 2.34 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 2.45 2.53 0.00 141 R 8.24 3.23 0.00 1.69 2.05 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 142 A 7.85 3.96 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 0.00 143 L 7.99 4.02 0.00 1.78 1.87 0.92 0.79 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 0.00 144 F 8.15 3.99 0.00 2.82 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 0.00 145 L 7.79 4.42 0.00 1.72 1.74 0.95 1.21 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 0.00 146 S 7.81 4.42 0.00 4.02 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