NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4318 8.3049 120.3283 55.3008 33.1684 175.5686 2 K 4.0123 8.4288 117.8203 55.3494 30.3986 173.1730 3 T 3.7205 8.5047 116.4964 62.2640 68.3785 173.2977 4 F 5.2718 8.4440 135.0000 58.0784 41.1452 172.9723 5 T 3.6531 7.9294 124.7267 63.4623 68.7277 175.3169 6 A 4.2693 8.3376 128.8344 52.2841 18.9372 176.7635 7 K 4.3553 8.3330 117.3319 54.4168 30.3845 175.6416 8 P 4.3093 0.0000 0.0000 62.6336 31.5817 176.0529 9 E 3.5845 8.3925 118.1623 58.1548 28.5023 174.4810 10 T 3.3780 7.8909 104.2635 62.7985 67.4229 172.7041 11 V 3.6744 7.3074 117.8845 64.1221 32.4816 177.4746 12 K 4.1235 6.9916 118.7207 55.7119 33.6749 177.1057 13 R 4.3538 7.6575 120.0183 55.7504 32.4031 172.5020 14 D 3.6271 8.2142 123.0296 51.9225 41.9501 176.2375 15 W 4.8499 6.4967 121.2511 56.2706 29.2583 175.0569 16 Y 5.0340 7.8498 118.2448 57.0061 42.6668 174.1508 17 V 4.5478 8.6077 120.3421 61.6125 33.7381 176.1068 18 V 4.1821 8.4065 126.1259 61.1707 32.7263 175.5753 19 D 4.5991 8.5038 117.4117 52.9157 41.4785 176.3543 20 A 4.0807 8.1799 126.5162 53.2844 18.4049 178.8738 21 T 4.2171 7.7563 108.7338 61.6392 65.8706 172.4486 22 G 4.2541 7.3983 111.8694 44.3460 0.0000 172.8810 23 K 4.6314 8.5806 121.0353 56.2591 32.7012 176.9268 24 T 4.5486 7.6148 108.7330 59.8077 71.7926 178.2634 25 L 3.4725 8.7751 120.2265 55.9492 41.1586 176.5214 26 G 3.6932 9.0717 117.3195 49.0936 0.0000 176.3890 27 R 4.0234 8.4458 119.7826 58.8819 29.7922 178.7749 28 L 3.7503 7.8750 120.2160 57.7811 42.0218 178.4923 29 A 4.0007 7.6617 119.9855 55.5682 18.1293 179.6057 30 T 3.7862 7.4302 107.4902 65.2400 68.9882 176.3815 31 E 3.8188 8.0194 121.0593 57.6649 29.2840 178.9429 32 L 4.2257 7.5631 118.6298 56.9391 42.2662 178.4533 33 A 4.0214 8.3608 119.6435 55.2765 18.4696 179.6155 34 R 4.0089 8.7996 117.3106 59.2243 30.0680 179.3184 35 R 3.8813 7.4609 117.5540 59.3051 29.8429 178.6369 36 L 4.5801 8.1240 115.6487 55.6534 41.0358 177.9194 37 R 4.6367 8.4366 117.5297 56.1553 33.2297 176.0413 38 G 4.2690 7.2427 106.4126 44.6055 0.0000 171.9681 39 K 3.8753 7.5882 121.5613 58.6688 32.2118 176.9805 40 H 4.4633 8.5404 117.4934 56.9804 29.5469 175.3949 41 K 4.3728 7.8267 121.1518 55.5184 33.0487 175.1831 42 A 4.6385 8.3786 127.3041 53.8871 22.0948 178.2517 43 E 4.0036 8.2920 112.9049 56.7916 28.9461 180.9985 44 Y 3.8571 6.8799 110.6303 59.0564 34.0641 173.9652 45 T 3.7458 7.4035 112.5419 61.4847 68.8664 173.0172 46 P 4.5462 0.0000 0.0000 63.8224 32.0086 173.6207 47 H 4.2682 8.9476 115.6830 57.6567 27.0946 176.2642 48 V 4.0623 7.4549 110.6782 60.3768 32.5759 175.6849 49 D 4.5255 8.5110 120.4168 55.2975 41.4629 177.4299 50 T 3.9368 7.8267 113.6348 63.4254 71.9287 170.8576 51 G 4.0298 7.7708 106.4899 44.6014 0.0000 171.8140 52 D 4.2323 7.4472 123.8139 53.2757 46.1134 177.7821 53 Y 5.0691 8.2713 111.4687 57.0068 41.1435 172.2617 54 I 5.2822 8.2082 119.1157 58.1117 41.5585 174.1705 55 I 5.3416 7.7693 119.4508 60.6531 41.1371 174.2607 56 V 4.4554 8.1908 128.7692 61.1975 33.3385 177.7736 57 L 4.9077 8.2691 122.7950 54.4653 42.0739 178.5455 58 N 4.2398 9.2651 125.9351 56.9222 37.1053 177.2332 59 A 3.9276 8.2383 122.3824 52.5824 17.9146 178.9578 60 D 4.5034 8.3394 111.8818 55.4315 40.7513 177.1569 61 K 4.6768 7.8117 118.6211 56.0452 32.0537 176.3217 62 V 4.5445 7.3749 110.0967 60.0253 35.4678 176.6767 63 A 4.5100 8.3159 121.2539 51.5995 21.4949 178.2186 64 V 3.1394 7.6229 116.6953 63.9700 30.8843 170.0033 65 T 4.2592 7.8138 104.0075 62.9558 71.1044 180.3368 66 G 3.9429 7.7314 113.0467 44.6404 0.0000 173.9876 67 N 4.5839 8.6851 121.7647 54.0187 38.3596 177.6951 68 K 4.8899 7.9825 116.2010 57.4292 32.3951 178.6351 69 R 4.1059 7.8914 119.0402 57.8687 30.2648 176.7622 70 T 5.0786 8.2647 109.7951 61.3672 70.1001 173.6989 71 D 4.5524 7.0520 116.5960 52.4120 38.8288 178.2058 72 K 3.3974 8.6415 117.3962 56.1573 28.9628 180.8914 73 V 2.7561 7.9891 108.2110 58.2633 33.1549 169.5857 74 Y 3.2368 6.6634 127.9282 57.9181 38.1850 169.3168 75 Y 5.5495 7.7281 123.1327 57.2055 39.1649 174.8981 76 H 4.7835 8.5984 126.4749 53.9397 26.6639 174.5485 77 H 4.2218 8.3431 119.2960 56.8511 30.9355 174.5528 78 T 4.5697 8.1598 113.7501 59.4365 70.4779 173.0856 79 G 4.0184 8.6738 116.9910 46.2509 0.0000 172.5716 80 H 4.7119 8.5752 120.2355 55.9759 31.5517 175.9167 81 I 2.9882 8.8864 120.3317 60.1366 38.3049 174.7861 82 G 3.7805 9.7998 105.2157 45.6442 0.0000 170.9648 83 G 3.8978 7.4890 111.4520 45.5235 0.0000 174.9020 84 I 4.2224 7.6532 131.0324 58.8791 35.5962 177.2316 85 K 3.7657 8.8997 135.0000 57.6699 30.0683 174.8366 86 Q 4.6910 8.2481 123.7380 53.7578 28.6198 173.1912 87 A 4.7688 8.1900 122.8332 51.9194 19.5430 177.5039 88 T 4.1093 8.9720 114.3185 60.0038 70.9642 173.9658 89 F 4.5812 8.0122 125.7403 58.0654 40.0654 175.8934 90 E 4.1657 10.0463 123.4743 60.1550 28.8051 179.4215 91 E 3.9249 8.0336 116.3340 59.9582 29.2021 178.7795 92 M 4.1640 8.1760 117.8753 57.5570 32.5758 177.0196 93 I 4.1549 7.1401 114.4016 61.9218 38.7108 176.7269 94 A 4.1810 8.4670 120.7461 53.9985 18.1641 179.1079 95 R 4.1570 7.8489 116.1686 57.8972 31.4919 176.9479 96 R 4.4890 7.7875 117.5388 53.0995 30.0411 170.5414 97 P 4.4339 0.0000 0.0000 62.2244 31.7700 176.7958 98 E 4.6420 7.7594 125.3703 55.8754 29.9201 180.6684 99 R 4.1733 8.4740 111.0673 54.0818 27.0975 175.1853 100 V 3.7634 7.7458 120.0980 61.9680 33.9957 175.2529 101 I 3.0480 6.5936 117.9687 62.5257 40.1676 175.4643 102 E 3.9903 8.3348 122.1135 59.3526 30.1398 178.4350 103 I 4.2670 8.8313 120.6758 61.5794 37.9410 177.1313 104 A 4.3938 7.9134 122.2654 53.6112 18.6594 179.8709 105 V 3.7916 7.6636 117.9237 63.9592 31.6838 177.9732 106 K 3.9703 7.8039 119.3570 59.7256 31.7701 178.7141 107 G 3.7119 8.0981 103.1413 46.9703 0.0000 174.4144 108 M 4.3868 8.1030 119.4242 54.9594 32.7720 176.2506 109 L 4.4804 7.0146 119.9834 52.8165 42.9891 175.8633 110 P 4.1032 0.0000 0.0000 63.8387 31.3847 176.4301 111 K 3.8941 8.1942 119.7045 56.4562 32.6221 177.3625 112 G 3.7771 8.2821 107.7505 44.3431 0.0000 171.2989 113 P 4.5901 0.0000 0.0000 62.9847 32.4506 175.7650 114 L 3.8714 8.7596 124.1383 56.8052 41.8275 176.7122 115 G 3.6399 7.7687 104.1386 47.6620 0.0000 175.1010 116 R 4.0855 7.7704 118.7409 58.0136 30.1169 177.8958 117 A 4.0683 7.6319 120.0174 55.6598 18.5959 179.1974 118 M 4.0497 8.5666 117.2208 59.5105 32.5533 177.3474 119 F 3.9393 8.2293 110.5418 55.9276 41.7169 177.8141 120 R 3.5742 7.0786 121.6016 58.0828 30.2982 176.9738 121 K 4.2377 6.3134 118.5140 55.8136 30.1371 177.0591 122 L 4.6548 7.2455 115.3474 54.7029 45.2663 174.9218 123 K 3.8581 8.4239 124.2268 55.7607 31.5585 174.2105 124 V 4.0396 6.5384 116.1757 60.8418 33.8621 178.3494 125 Y 3.7900 7.9582 119.2689 57.9921 37.2561 170.3763 126 A 4.9571 7.1989 117.6589 51.3489 20.4699 175.7405 127 G 4.1159 8.2345 108.9186 44.0425 0.0000 171.7596 128 N 4.2698 8.2691 117.5111 55.0329 37.9043 176.2677 129 E 4.4429 8.6123 110.7498 55.7321 28.8475 174.5520 130 H 4.5844 7.7946 117.7774 57.0608 31.7996 173.8502 131 N 4.6202 7.7945 118.3012 52.3317 40.5296 172.9667 132 H 4.1592 8.1922 126.9873 53.8176 28.9269 174.4737 133 A 4.0803 7.3304 122.1822 52.7846 18.4704 177.7025 134 A 4.6474 7.1980 119.2611 50.1149 20.9864 176.6675 135 Q 4.0947 8.6114 119.4970 56.8468 29.4036 176.1567 136 Q 4.1383 8.7117 125.9834 57.6747 29.6504 173.6582 137 P 4.1402 0.0000 0.0000 62.7659 31.6663 174.8905 138 Q 2.8522 6.9132 115.3037 54.2999 27.7150 177.4201 139 V 4.3875 7.3558 114.5162 60.8169 36.0903 173.9312 140 L 4.2955 8.2184 119.5475 55.4443 42.6866 176.3335 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 4.43 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 K 8.43 4.01 0.00 1.87 1.81 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.44 7.81 3 T 8.50 3.72 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 1.25 0.00 0.00 4 F 8.44 5.27 0.00 3.07 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 5 T 7.93 3.65 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 1.06 0.00 0.00 6 A 8.34 4.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.33 4.36 0.00 1.93 1.78 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 8 P 0.00 4.31 0.00 2.29 2.15 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 9 E 8.39 3.58 0.00 2.11 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 2.21 2.23 0.00 10 T 7.89 3.38 4.18 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 1.24 0.00 0.00 11 V 7.31 3.67 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 0.68 0.00 0.00 0.91 0.00 0.00 12 K 6.99 4.12 0.00 1.39 0.74 0.00 1.48 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.62 1.10 7.81 13 R 7.66 4.35 0.00 1.48 1.68 0.00 3.07 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 14 D 8.21 3.63 0.00 2.76 2.13 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 15 W 6.50 4.85 0.00 3.24 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 16 Y 7.85 5.03 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.61 4.55 2.24 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 0.79 0.00 0.00 0.92 0.00 0.00 18 V 8.41 4.18 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 0.73 0.00 0.00 0.99 0.00 0.00 19 D 8.50 4.60 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 20 A 8.18 4.08 1.53 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 0.00 0.00 0.00 21 T 7.76 4.22 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 22 G 7.40 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 0.00 0.00 0.00 0.00 23 K 8.58 4.63 0.00 1.70 1.79 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.44 7.81 24 T 7.61 4.55 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 1.21 0.00 0.00 25 L 8.78 3.47 0.00 1.79 1.49 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.07 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 27 R 8.45 4.02 0.00 1.81 2.00 0.00 3.30 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 28 L 7.88 3.75 0.00 1.67 1.83 0.93 1.50 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 29 A 7.66 4.00 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 30 T 7.43 3.79 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 1.26 0.00 0.00 31 E 8.02 3.82 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 32 L 7.56 4.23 0.00 1.89 1.69 0.93 1.02 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 33 A 8.36 4.02 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 34 R 8.80 4.01 0.00 2.01 1.95 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 35 R 7.46 3.88 0.00 2.25 1.98 0.00 2.80 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 36 L 8.12 4.58 0.00 1.73 1.70 0.95 0.65 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 37 R 8.44 4.64 0.00 1.70 1.81 0.00 3.38 0.00 0.00 3.26 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 38 G 7.24 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 0.00 0.00 0.00 0.00 39 K 7.59 3.88 0.00 1.86 1.46 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.46 7.81 40 H 8.54 4.46 0.00 3.14 3.28 0.00 5.76 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 41 K 7.83 4.37 0.00 1.85 1.76 0.00 2.05 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.89 7.81 42 A 8.38 4.64 1.22 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 0.00 0.00 43 E 8.29 4.00 0.00 1.41 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.47 0.00 44 Y 6.88 3.86 0.00 3.08 3.11 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 45 T 7.40 3.75 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 0.84 0.00 0.00 46 P 0.00 4.55 0.00 2.35 2.10 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 47 H 8.95 4.27 0.00 3.38 3.55 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.45 4.06 2.18 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 0.95 0.00 0.00 1.13 0.00 0.00 49 D 8.51 4.53 0.00 2.67 2.63 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 50 T 7.83 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 1.30 0.00 0.00 51 G 7.77 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 52 D 7.45 4.23 0.00 2.79 2.39 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 53 Y 8.27 5.07 0.00 2.96 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 54 I 8.21 5.28 1.91 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 1.25 1.87 1.10 0.00 0.00 55 I 7.77 5.34 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.75 1.03 0.00 0.00 56 V 8.19 4.46 2.22 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 0.82 0.00 0.00 0.96 0.00 0.00 57 L 8.27 4.91 0.00 1.91 0.69 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.27 4.24 0.00 2.96 3.10 0.00 0.00 5.88 7.84 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 59 A 8.24 3.93 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 60 D 8.34 4.50 0.00 2.65 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 61 K 7.81 4.68 0.00 1.74 1.77 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.52 7.81 62 V 7.37 4.54 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 0.79 0.00 0.00 1.00 0.00 0.00 63 A 8.32 4.51 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 64 V 7.62 3.14 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 0.81 0.00 0.00 0.95 0.00 0.00 65 T 7.81 4.26 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 66 G 7.73 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 67 N 8.69 4.58 0.00 2.70 2.72 0.00 0.00 6.95 6.75 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 68 K 7.98 4.89 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.32 7.81 69 R 7.89 4.11 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 70 T 8.26 5.08 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 1.18 0.00 0.00 71 D 7.05 4.55 0.00 2.73 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.64 3.40 0.00 1.97 1.18 0.00 1.78 0.00 0.00 1.95 0.00 0.00 2.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.40 7.81 73 V 7.99 2.76 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 0.78 0.00 0.00 0.64 0.00 0.00 74 Y 6.66 3.24 0.00 3.35 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 75 Y 7.73 5.55 0.00 2.92 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 76 H 8.60 4.78 0.00 3.08 3.39 0.00 5.93 0.00 0.00 0.00 0.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.34 4.22 0.00 3.20 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.16 4.57 4.40 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 1.30 0.00 0.00 79 G 8.67 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 0.00 0.00 0.00 80 H 8.58 4.71 0.00 3.19 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.89 2.99 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 1.36 1.15 0.93 0.00 0.00 82 G 9.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.49 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 84 I 7.65 4.22 1.36 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 1.43 0.85 0.75 0.00 0.00 85 K 8.90 3.77 0.00 1.92 1.89 0.00 1.46 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.35 7.81 86 Q 8.25 4.69 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 87 A 8.19 4.77 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 88 T 8.97 4.11 4.20 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 1.16 0.00 0.00 89 F 8.01 4.58 0.00 3.03 3.07 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 90 E 10.05 4.17 0.00 2.15 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 2.60 2.64 0.00 91 E 8.03 3.92 0.00 2.41 2.47 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 2.44 2.44 0.00 92 M 8.18 4.16 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 93 I 7.14 4.15 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.84 0.00 0.00 94 A 8.47 4.18 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 95 R 7.85 4.16 0.00 1.79 2.01 0.00 3.33 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 96 R 7.79 4.49 0.00 1.69 1.74 0.00 3.44 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 97 P 0.00 4.43 0.00 2.08 2.09 0.00 3.68 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 2.33 2.16 0.00 98 E 7.76 4.64 0.00 1.98 1.54 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 2.17 2.15 0.00 99 R 8.47 4.17 0.00 1.72 1.86 0.00 3.38 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 100 V 7.75 3.76 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 0.43 0.00 0.00 -0.14 0.00 0.00 101 I 6.59 3.05 1.87 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 1.37 1.28 0.85 0.00 0.00 102 E 8.33 3.99 0.00 2.09 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 2.33 2.24 0.00 103 I 8.83 4.27 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.41 0.93 0.00 0.00 104 A 7.91 4.39 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 0.00 105 V 7.66 3.79 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 0.98 0.00 0.00 0.96 0.00 0.00 106 K 7.80 3.97 0.00 1.95 2.02 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.56 7.81 107 G 8.10 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 0.00 108 M 8.10 4.39 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 109 L 7.01 4.48 0.00 1.72 1.62 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.10 0.00 2.04 2.15 0.00 3.82 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 2.05 2.14 0.00 111 K 8.19 3.89 0.00 1.87 1.84 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.28 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.64 7.81 112 G 8.28 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.59 0.00 2.17 2.06 0.00 3.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 114 L 8.76 3.87 0.00 1.86 1.76 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 4.09 0.00 2.04 1.80 0.00 3.11 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.40 0.00 117 A 7.63 4.07 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 0.00 118 M 8.57 4.05 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.94 0.00 119 F 8.23 3.94 0.00 3.27 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.08 3.57 0.00 1.42 0.76 0.00 3.03 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 121 K 6.31 4.24 0.00 2.18 1.82 0.00 2.00 0.00 0.00 2.36 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.51 7.81 122 L 7.25 4.65 0.00 1.92 1.87 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.42 3.86 0.00 1.94 1.70 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.66 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.45 7.81 124 V 6.54 4.04 1.93 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 0.91 0.00 0.00 0.82 0.00 0.00 125 Y 7.96 3.79 0.00 3.23 2.95 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 0.00 126 A 7.20 4.96 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 G 8.23 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.27 4.27 0.00 2.86 2.61 0.00 0.00 7.03 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 0.00 129 E 8.61 4.44 0.00 1.96 1.84 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 2.13 2.23 0.00 130 H 7.79 4.58 0.00 3.07 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.79 4.62 0.00 2.56 2.54 0.00 0.00 6.75 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 0.00 132 H 8.19 4.16 0.00 3.10 3.09 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.33 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.20 4.65 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 0.00 135 Q 8.61 4.09 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 136 Q 8.71 4.14 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 137 P 0.00 4.14 0.00 2.22 1.95 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 138 Q 6.91 2.85 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 139 V 7.36 4.39 2.04 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 0.60 0.00 0.00 0.83 0.00 0.00 140 L 8.22 4.30 0.00 2.10 1.72 1.24 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00