NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5031 8.3049 120.3286 55.2959 33.8656 177.0108 2 D 4.2037 8.4422 120.3437 56.7456 41.1183 175.5931 3 K 4.1190 8.6768 119.5477 55.3642 33.5082 176.1521 4 K 4.6095 8.0630 123.0483 54.7781 34.5426 175.3406 5 Y 4.6303 8.1648 117.4612 56.3618 41.5156 174.6540 6 D 4.7170 8.8170 122.6725 52.6655 43.1564 174.3283 7 I 4.8982 8.1823 126.4041 59.8510 41.0252 175.2306 8 T 4.7112 8.2043 110.3111 60.6575 72.0340 172.4168 9 A 5.2773 8.7195 127.1828 49.9791 22.0103 175.2041 10 V 4.3799 8.7611 121.0560 60.8764 34.9806 174.3281 11 L 4.6422 8.4332 128.9042 54.3001 42.5963 175.9179 12 N 4.8015 8.6972 125.2187 52.0973 40.8047 174.3859 13 E 4.1857 8.5272 119.1903 56.9781 30.6772 176.9301 14 D 4.3578 9.2975 116.8958 53.8438 38.1407 173.3090 15 S 3.7598 7.6540 110.0004 59.5208 62.6579 171.9223 16 S 4.7544 7.8105 113.9100 58.1519 65.0359 172.6754 17 M 5.2864 9.4213 121.6368 53.7691 35.2050 174.6290 18 T 5.1337 8.6928 112.9316 59.9199 71.5860 173.1201 19 A 5.2077 9.3970 127.9105 50.5335 21.5606 175.6501 20 I 5.1058 8.5643 119.8533 59.6270 41.7089 174.8724 21 S 4.8848 8.9800 120.1167 57.8376 66.0541 173.7336 22 D 4.2507 8.4060 127.8731 56.0565 40.4051 174.1950 23 Q 4.4342 8.6172 124.2523 56.5970 28.8399 174.6965 24 F 5.0875 8.7081 117.8877 55.9985 41.3895 174.7388 25 Q 5.0933 8.5425 120.7399 54.5167 32.5434 174.3901 26 I 4.6733 8.8007 124.2042 59.5452 41.0005 174.4395 27 T 4.9655 8.4562 115.8822 60.0975 70.8809 173.2874 28 L 5.2839 9.4851 127.1000 53.2629 45.1914 175.0796 29 D 4.8387 8.9669 119.3900 53.5315 44.7853 175.5071 30 A 4.5685 8.7209 127.5129 52.1263 19.5459 177.3861 31 R 4.1452 9.2880 116.4136 55.1102 30.9729 175.0794 32 P 4.3758 0.0000 0.0000 62.6155 31.8506 178.1362 33 K 4.0870 8.4447 120.8255 60.0442 32.0310 178.4592 34 H 4.1177 8.0361 111.7524 57.8403 28.2854 175.5824 35 T 4.4959 7.8247 113.0277 63.1795 71.5297 173.6277 36 A 4.4308 7.0679 122.9300 51.7511 18.5921 176.9582 37 K 4.5844 8.1744 114.2227 55.4242 34.2981 176.6903 38 G 4.7054 7.3286 103.4578 46.5177 0.0000 173.1543 39 F 4.2730 8.9329 118.2425 57.5985 40.2315 175.8112 40 G 4.4974 8.6084 109.0667 45.5720 0.0000 172.6778 41 P 4.3331 0.0000 0.0000 65.7741 31.3618 179.0998 42 L 4.0128 7.9925 116.7742 57.5878 41.4314 179.4103 43 A 3.9678 7.9435 120.1096 55.2904 18.3758 179.2832 44 A 4.0132 8.1607 119.2182 55.2542 18.3502 179.6665 45 L 3.8686 7.8474 118.7258 58.3649 42.1825 179.2753 46 L 3.9842 8.1478 118.9218 57.7436 41.3943 179.5693 47 S 4.3172 8.4038 115.4684 61.0645 62.7125 176.8253 48 G 3.4954 8.3247 109.1405 47.2468 0.0000 175.7646 49 L 3.8730 7.9939 122.4808 57.9220 42.1402 178.5065 50 A 3.7717 7.9807 120.5778 55.4269 18.2354 179.3512 51 A 3.8708 8.1730 119.1392 55.6008 18.2714 179.0668 52 C 4.2506 7.8764 117.0515 59.6225 38.8147 175.7039 53 E 3.9835 8.0954 120.2801 59.3967 29.0217 179.3639 54 L 4.1803 8.0789 118.8351 57.6936 41.7466 179.3198 55 A 4.0513 8.3704 121.3088 55.5931 18.4342 179.9249 56 T 3.9584 8.2845 107.8321 64.5810 68.6038 176.5218 57 A 4.0990 8.0072 124.3234 55.1493 18.2964 179.0869 58 N 4.3834 8.4459 114.5017 56.3688 39.0610 176.5116 59 L 4.3542 7.7799 119.4421 56.9341 42.2037 178.2099 60 M 4.4594 8.4114 118.0715 57.1453 32.3134 177.9149 61 A 3.5680 8.4875 121.3611 54.9380 18.3654 177.4909 62 P 4.1228 0.0000 0.0000 65.9970 31.3165 178.7622 63 A 4.0509 7.6989 117.2374 54.2883 18.3601 178.8244 64 K 4.0929 7.7791 114.7220 56.0578 32.5695 177.1220 65 M 3.1027 7.3060 117.4675 55.9213 29.7821 176.3260 66 I 4.1988 7.5466 119.0555 59.9142 38.0085 175.2266 67 T 4.4276 8.2242 115.1868 59.8662 70.2450 173.5095 68 I 4.4491 8.2223 126.7093 59.7712 38.5199 175.0428 69 N 4.8937 9.2668 124.1008 54.1138 40.6645 175.6320 70 K 4.6940 7.7726 116.6871 54.9860 36.9047 175.0125 71 L 5.3731 8.4156 125.7087 53.6432 45.2464 174.8480 72 L 4.6711 8.6732 124.3066 55.0168 44.1448 173.6837 73 M 5.1232 8.4255 119.5051 53.7802 35.5798 173.5970 74 N 4.9117 8.9260 124.1969 51.8348 41.3226 173.1547 75 V 4.9924 8.3912 126.0756 61.3767 33.6748 174.6553 76 T 4.7591 9.0485 116.8289 60.4131 72.4883 172.7726 77 G 4.9448 8.4638 109.1293 46.5696 0.0000 171.6749 78 S 4.9872 8.3428 112.6895 57.2780 66.0997 173.4370 79 R 4.9547 8.2886 116.5718 55.0595 32.6519 174.2039 80 S 4.6604 8.5134 116.0833 57.6802 64.2494 174.6346 81 T 4.3314 8.4279 113.8377 62.8313 70.1096 174.6760 82 N 5.0658 7.6766 118.5488 51.2999 38.7229 171.5655 83 P 4.3864 0.0000 0.0000 63.1910 32.6984 176.8964 84 T 4.3089 8.0868 115.1019 65.2746 69.8600 176.2324 85 D 4.3448 8.0523 120.3180 56.7526 40.8845 177.6092 86 G 3.8124 8.2443 104.7432 45.4021 0.0000 172.7582 87 Y 4.4642 7.2569 121.0311 55.8007 37.9114 175.2369 88 F 4.0763 8.2213 124.1858 57.7460 39.6007 176.4763 89 G 3.4717 5.7263 109.7385 43.7892 0.0000 173.0073 90 L 4.2694 8.2453 119.4340 55.1071 42.1598 177.4040 91 R 5.1300 9.2275 122.4649 56.7186 32.3974 176.2250 92 E 5.0738 7.9823 119.1562 54.4601 33.5167 173.9270 93 I 4.9687 9.1417 126.9300 59.3125 41.4300 173.3247 94 N 5.4444 10.0162 127.7855 51.5071 41.2227 173.5016 95 L 4.7895 9.0005 124.8884 53.4231 43.9422 175.2169 96 H 5.2620 9.3061 125.9996 54.1819 31.4300 173.5516 97 W 4.8205 9.1369 126.8745 56.4747 30.8000 175.6807 98 E 5.0541 9.4073 123.7215 54.8382 32.1049 173.9937 99 I 4.9450 8.9305 128.8239 59.9539 40.3020 174.9223 100 H 5.4090 9.3844 125.3046 53.9813 29.1392 173.8007 101 S 5.0136 8.1696 117.0341 55.9086 65.0606 172.2062 102 P 4.4806 0.0000 0.0000 64.5669 31.8490 176.4807 103 N 4.5095 8.0731 117.6874 53.0500 39.0790 174.7455 104 S 4.5584 9.3757 116.5800 58.1065 65.5541 174.7291 105 E 4.0134 8.6588 120.9204 59.4392 29.1810 179.2470 106 T 4.0455 7.9549 109.3371 65.2790 68.4978 175.9066 107 E 3.8814 8.0376 120.7147 59.4249 29.5590 179.0247 108 I 3.7591 8.1116 120.0886 64.7660 37.1836 177.8391 109 K 3.8200 8.6814 120.4153 59.8717 31.8953 178.4085 110 E 3.9876 8.4491 118.4589 59.4400 29.4178 179.1438 111 F 4.3356 8.3797 120.6175 61.5982 39.4797 177.1379 112 I 2.8518 7.7460 119.0585 64.2189 36.8856 178.0410 113 D 4.3211 8.0636 119.6022 57.3581 40.6577 178.6691 114 F 4.0629 8.2607 121.0434 61.3767 39.3127 177.3206 115 V 3.3321 7.5717 117.7642 66.0930 31.0523 177.9910 116 S 3.8008 8.1467 113.9802 61.6589 62.7207 176.6617 117 K 4.0359 7.8134 119.7235 58.3969 31.8596 178.5202 118 R 4.1189 7.1631 117.8369 56.5523 30.8084 175.8343 119 C 4.4135 8.5585 121.0495 55.5924 43.5407 171.9640 120 P 4.1887 0.0000 0.0000 65.6816 30.9869 178.3307 121 A 3.9263 7.9608 118.8590 55.5518 18.3346 178.9109 122 H 3.9650 8.1827 116.0210 59.5037 29.7466 176.8131 123 N 4.3517 8.2321 117.3119 57.0146 38.8050 177.0111 124 T 3.9463 8.2597 117.2592 66.8166 68.7097 176.6154 125 L 4.1140 8.2866 120.6294 57.4190 41.4457 179.6026 126 Q 4.1698 8.0237 117.9951 58.4673 28.6727 177.4175 127 G 3.8599 7.6223 105.8791 45.4517 0.0000 174.8056 128 V 3.4459 6.6887 119.6343 61.3979 31.8685 176.1588 129 S 4.5887 8.2303 118.1015 58.3735 61.5724 170.6147 130 Q 4.1399 7.7861 117.5838 55.3663 28.9183 174.1607 131 L 5.6696 7.4058 119.2788 52.1551 45.5229 175.3351 132 K 4.5334 8.3817 123.6816 54.7992 35.4484 174.5504 133 I 4.9266 8.5157 128.4125 59.9873 38.7081 174.6250 134 N 5.0123 8.9015 125.2468 51.4596 40.7253 174.2006 135 V 5.1817 8.4182 123.1784 61.2638 34.5393 174.1084 136 N 5.3196 8.8957 123.3345 51.7810 40.8813 173.5545 137 V 5.1734 8.4226 118.9078 60.4508 35.1632 174.9899 138 T 4.5215 9.1244 119.4565 61.9360 70.6519 173.0193 139 L 4.7431 8.5090 129.6577 53.9183 43.3071 175.6418 140 V 4.2550 9.0391 127.6956 61.3181 33.7811 175.4315 141 H 4.6661 8.6881 123.8613 56.1492 28.7632 175.0863 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 4.50 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 2 D 8.44 4.20 0.00 2.74 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 3 K 8.68 4.12 0.00 1.74 1.49 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 4 K 8.06 4.61 0.00 1.60 1.65 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.33 7.81 5 Y 8.16 4.63 0.00 2.93 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 6 D 8.82 4.72 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.18 4.90 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 1.49 0.82 0.92 0.00 0.00 8 T 8.20 4.71 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 9 A 8.72 5.28 1.20 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 0.00 0.00 10 V 8.76 4.38 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 0.93 0.00 0.00 0.93 0.00 0.00 11 L 8.43 4.64 0.00 1.67 1.57 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.70 4.80 0.00 2.73 2.77 0.00 0.00 7.10 8.30 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 13 E 8.53 4.19 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 14 D 9.30 4.36 0.00 2.89 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 15 S 7.65 3.76 0.00 4.07 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 16 S 7.81 4.75 0.00 3.95 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 0.00 17 M 9.42 5.29 0.00 1.97 1.97 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 2.49 2.44 0.00 18 T 8.69 5.13 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 1.28 0.00 0.00 19 A 9.40 5.21 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 20 I 8.56 5.11 1.89 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 1.06 0.93 0.00 0.00 21 S 8.98 4.88 0.00 3.85 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 22 D 8.41 4.25 0.00 2.83 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 0.00 0.00 0.00 23 Q 8.62 4.43 0.00 1.71 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 24 F 8.71 5.09 0.00 3.16 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 25 Q 8.54 5.09 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 26 I 8.80 4.67 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.80 0.83 0.00 0.00 27 T 8.46 4.97 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 1.22 0.00 0.00 28 L 9.49 5.28 0.00 1.52 1.74 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.97 4.84 0.00 2.69 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 30 A 8.72 4.57 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 31 R 9.29 4.15 0.00 1.65 1.83 0.00 3.66 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 32 P 0.00 4.38 0.00 1.89 1.94 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 33 K 8.44 4.09 0.00 1.79 1.82 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.44 7.81 34 H 8.04 4.12 0.00 3.25 3.45 0.00 5.48 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.82 4.50 4.21 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 1.22 0.00 0.00 36 A 7.07 4.43 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 37 K 8.17 4.58 0.00 1.71 1.79 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.40 7.81 38 G 7.33 4.71 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 39 F 8.93 4.27 0.00 2.89 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 40 G 8.61 4.50 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 0.00 0.00 0.00 41 P 0.00 4.33 0.00 2.17 2.11 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 42 L 7.99 4.01 0.00 1.68 1.72 0.90 0.67 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 43 A 7.94 3.97 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 44 A 8.16 4.01 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 45 L 7.85 3.87 0.00 1.75 1.83 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.15 3.98 0.00 1.97 1.69 0.91 0.74 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 47 S 8.40 4.32 0.00 3.99 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 48 G 8.32 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 0.00 0.00 0.00 49 L 7.99 3.87 0.00 1.85 1.80 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.98 3.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.17 3.87 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 52 C 7.88 4.25 0.00 3.02 3.29 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 53 E 8.10 3.98 0.00 1.92 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 2.45 2.21 0.00 54 L 8.08 4.18 0.00 1.71 1.78 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.37 4.05 1.42 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 56 T 8.28 3.96 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 1.30 0.00 0.00 57 A 8.01 4.10 1.62 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 58 N 8.45 4.38 0.00 2.92 3.11 0.00 0.00 7.27 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 59 L 7.78 4.35 0.00 1.92 1.78 0.97 0.98 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 60 M 8.41 4.46 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.11 0.00 61 A 8.49 3.57 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 62 P 0.00 4.12 0.00 2.18 2.14 0.00 3.75 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 2.15 2.19 0.00 63 A 7.70 4.05 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 64 K 7.78 4.09 0.00 1.70 1.74 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.55 7.81 65 M 7.31 3.10 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 66 I 7.55 4.20 0.95 0.00 0.00 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 0.19 0.89 0.46 0.00 0.00 67 T 8.22 4.43 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 1.15 0.00 0.00 68 I 8.22 4.45 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 1.01 0.00 0.00 69 N 9.27 4.89 0.00 2.72 2.88 0.00 0.00 6.84 7.25 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 70 K 7.77 4.69 0.00 1.48 1.51 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.19 7.81 71 L 8.42 5.37 0.00 1.70 1.60 1.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.67 4.67 0.00 1.75 1.71 0.92 0.96 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 73 M 8.43 5.12 0.00 1.69 1.37 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.20 0.00 74 N 8.93 4.91 0.00 2.79 2.67 0.00 0.00 6.48 7.23 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 75 V 8.39 4.99 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 0.84 0.00 0.00 0.81 0.00 0.00 76 T 9.05 4.76 4.22 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 1.24 0.00 0.00 77 G 8.46 4.94 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 78 S 8.34 4.99 0.00 3.86 3.91 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 79 R 8.29 4.95 0.00 1.94 1.87 0.00 3.20 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 1.48 1.65 0.00 80 S 8.51 4.66 0.00 3.78 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 81 T 8.43 4.33 4.30 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 1.24 0.00 0.00 82 N 7.68 5.07 0.00 2.66 2.74 0.00 0.00 6.99 7.69 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 83 P 0.00 4.39 0.00 1.94 1.69 0.00 3.73 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 1.10 0.44 0.00 84 T 8.09 4.31 4.21 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 1.19 0.00 0.00 85 D 8.05 4.34 0.00 2.72 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 86 G 8.24 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 87 Y 7.26 4.46 0.00 2.83 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 88 F 8.22 4.08 0.00 2.98 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 89 G 5.73 3.47 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 0.00 90 L 8.25 4.27 0.00 1.71 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 91 R 9.23 5.13 0.00 1.78 2.01 0.00 3.13 0.00 0.00 3.24 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 92 E 7.98 5.07 0.00 1.99 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 2.27 2.29 0.00 93 I 9.14 4.97 1.86 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 1.20 1.56 0.95 0.00 0.00 94 N 10.02 5.44 0.00 2.47 2.69 0.00 0.00 6.46 6.62 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 95 L 9.00 4.79 0.00 1.52 1.31 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 96 H 9.31 5.26 0.00 3.14 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 W 9.14 4.82 0.00 3.30 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 98 E 9.41 5.05 0.00 1.98 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 2.31 0.00 99 I 8.93 4.94 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 1.04 0.00 0.00 100 H 9.38 5.41 0.00 3.35 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.17 5.01 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.48 0.00 2.20 2.16 0.00 4.04 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 103 N 8.07 4.51 0.00 2.73 2.81 0.00 0.00 6.60 7.54 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 0.00 104 S 9.38 4.56 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 0.00 105 E 8.66 4.01 0.00 2.04 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 2.42 2.40 0.00 106 T 7.95 4.05 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 0.00 107 E 8.04 3.88 0.00 2.22 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 2.30 2.33 0.00 108 I 8.11 3.76 2.00 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 1.63 0.84 0.90 0.00 0.00 109 K 8.68 3.82 0.00 1.92 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.64 7.81 110 E 8.45 3.99 0.00 2.10 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 2.35 2.57 0.00 111 F 8.38 4.34 0.00 3.03 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 0.00 112 I 7.75 2.85 1.66 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.26 0.52 0.00 0.00 113 D 8.06 4.32 0.00 2.89 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 0.00 114 F 8.26 4.06 0.00 3.14 3.23 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 0.00 115 V 7.57 3.33 1.79 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 1.10 0.00 0.00 0.24 0.00 0.00 116 S 8.15 3.80 0.00 3.89 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 0.00 117 K 7.81 4.04 0.00 1.69 1.74 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.59 7.81 118 R 7.16 4.12 0.00 1.45 1.68 0.00 3.01 0.00 0.00 2.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.49 0.00 119 C 8.56 4.41 0.00 3.11 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 0.00 120 P 0.00 4.19 0.00 2.19 2.11 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 121 A 7.96 3.93 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 0.00 122 H 8.18 3.96 0.00 3.32 3.52 0.00 5.69 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 0.00 123 N 8.23 4.35 0.00 2.96 2.88 0.00 0.00 7.11 8.09 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 0.00 124 T 8.26 3.95 4.39 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 1.20 0.00 0.00 125 L 8.29 4.11 0.00 1.63 1.69 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.02 4.17 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.06 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 127 G 7.62 3.86 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 0.00 0.00 0.00 128 V 6.69 3.45 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 0.84 0.00 0.00 1.00 0.00 0.00 129 S 8.23 4.59 0.00 4.01 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 0.00 130 Q 7.79 4.14 0.00 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.83 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 131 L 7.41 5.67 0.00 1.76 1.49 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.38 4.53 0.00 1.80 1.58 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.43 7.81 133 I 8.52 4.93 1.87 0.00 0.00 0.70 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 0.70 0.88 0.00 0.00 134 N 8.90 5.01 0.00 2.81 2.73 0.00 0.00 5.96 6.98 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 0.00 135 V 8.42 5.18 2.20 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 1.18 0.00 0.00 1.07 0.00 0.00 136 N 8.90 5.32 0.00 2.78 2.90 0.00 0.00 6.31 7.76 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 0.00 137 V 8.42 5.17 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 0.76 0.00 0.00 0.96 0.00 0.00 138 T 9.12 4.52 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 1.26 0.00 0.00 139 L 8.51 4.74 0.00 1.63 1.51 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 V 9.04 4.25 1.68 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 0.74 0.00 0.00 0.90 0.00 0.00 141 H 8.69 4.67 0.00 3.18 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00