NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0953 8.0549 120.3917 62.5723 32.5625 175.0055 2 L 4.1371 8.3276 127.3517 52.2669 42.6620 175.8360 3 S 4.5500 9.0202 117.9114 57.6161 66.3333 174.8449 4 E 4.2860 8.8195 122.6403 59.4710 29.4810 179.0474 5 G 3.6480 8.1085 105.3060 47.8707 0.0000 175.3724 6 E 3.9180 8.0725 120.7915 58.9558 29.4438 179.4411 7 W 4.4143 8.1250 118.9432 60.0272 29.0477 178.6358 8 Q 4.2165 8.6147 118.2341 58.9004 27.7723 178.7549 9 L 4.0893 7.8902 119.8541 57.5444 41.6263 179.7511 10 V 3.7644 7.8809 118.3027 66.2302 31.7037 178.2672 11 L 4.2672 8.6135 119.0009 57.8087 41.1778 178.9879 12 H 4.4337 8.4175 118.3428 59.0700 30.0895 177.3015 13 V 3.7665 7.7924 120.7864 64.2403 31.5122 178.2442 14 W 3.8568 8.4535 128.7448 59.9606 30.2467 177.7582 15 A 4.0453 7.8676 120.1624 54.9716 18.0533 179.4388 16 K 3.9535 7.7938 117.1731 59.3302 32.1405 179.6095 17 V 2.7039 7.0841 118.0110 65.6950 31.0649 177.3145 18 E 3.9926 7.5874 115.3686 57.7832 29.2807 178.4656 19 A 4.2062 7.5963 121.2192 54.1913 19.8232 177.6707 20 D 4.6648 7.8384 115.0063 52.2753 43.3969 175.8364 21 V 3.4298 7.8231 123.9017 64.1637 31.7535 178.1937 22 A 4.0425 8.0029 121.0032 55.0191 18.3908 179.6873 23 G 3.6303 8.2924 105.4373 47.7546 0.0000 175.6365 24 H 4.1102 8.1788 118.5537 58.3758 28.6222 178.1109 25 G 3.3562 8.1942 107.7305 47.7334 0.0000 175.7303 26 Q 4.1312 7.9453 120.3626 58.9093 28.7604 178.6523 27 D 4.3344 7.8250 119.3083 57.4026 40.7302 178.9997 28 I 3.5727 7.6127 120.1980 63.9937 37.0162 178.5148 29 W 4.0158 7.8817 119.7480 59.7767 28.8668 178.5692 30 I 3.7543 7.8250 119.6479 64.3920 36.5456 178.4584 31 R 3.7954 8.0210 119.4429 59.2127 29.8438 178.2852 32 L 3.9279 7.9986 120.2410 58.4203 42.0748 179.0894 33 F 4.6702 8.2343 117.8842 60.2369 38.5121 177.8006 34 K 4.0817 7.8760 117.6463 59.2500 32.1969 179.1465 35 S 4.2700 7.9862 114.4523 60.4434 64.2370 174.5769 36 H 4.7322 8.3566 118.6490 51.8375 29.6744 171.6484 37 P 4.6494 0.0000 0.0000 64.7132 31.1542 177.4921 38 E 4.1134 8.2660 116.0120 59.4828 29.4080 179.1920 39 T 3.7764 8.0565 111.0324 64.5355 68.8290 176.3104 40 L 3.7235 8.0311 122.9186 57.8274 41.7608 178.6781 41 E 4.1152 7.8098 117.3041 58.7715 29.4140 178.8302 42 K 4.4152 8.0779 117.3859 57.1589 32.5970 177.4453 43 F 4.5285 8.1542 118.9879 55.7321 39.0759 175.9719 44 D 4.3086 8.4654 124.6735 56.9942 40.9650 178.3858 45 R 3.8395 7.6453 117.7342 57.7488 30.4339 176.4176 46 F 4.9903 7.4780 113.7435 56.6942 40.7433 176.4090 47 K 4.0606 8.2688 120.2958 58.7228 32.2798 177.5255 48 H 4.4157 8.0091 114.5106 57.0952 29.1824 175.5512 49 L 4.0263 7.3762 121.2088 55.1194 41.5059 176.9502 50 K 4.2500 9.1150 124.1166 57.6186 33.1474 176.9870 51 T 4.7467 7.2970 107.6499 58.8487 73.3293 174.2182 52 E 3.9465 8.6434 120.4730 59.2016 29.6024 178.3572 53 A 3.9937 7.9416 120.4278 55.2931 18.2885 179.3337 54 E 3.9353 7.8210 115.3687 59.6555 29.7511 179.1670 55 M 4.1310 8.0655 118.7353 58.3574 31.8590 178.7207 56 K 3.9356 8.2488 118.5067 59.3832 32.4889 178.1330 57 A 4.3801 7.9234 118.7220 52.4290 18.7509 177.2117 58 S 4.2418 7.4996 113.2814 57.5037 62.4591 174.3699 59 E 4.0221 8.8442 129.6439 59.3891 29.3726 178.2488 60 D 4.4589 8.1203 118.7172 57.2230 41.0463 178.2736 61 L 2.9763 7.9364 120.9853 57.4465 42.0105 178.9203 62 K 4.0212 8.0495 119.6903 59.5641 32.1855 178.9186 63 K 4.0578 8.3490 118.9338 59.8737 31.9100 178.8689 64 H 4.5600 8.9058 118.9474 59.1435 29.6993 177.5823 65 G 3.6608 8.6167 107.9252 47.6579 0.0000 175.9294 66 V 3.6027 7.8087 120.0738 66.0343 31.5594 178.2819 67 T 3.9120 7.9201 115.5211 66.6058 68.3187 176.7336 68 V 3.5910 8.1208 120.3397 66.2560 31.6161 178.1851 69 L 4.1705 8.1510 118.7958 58.0066 41.4108 179.7311 70 T 4.0591 8.2663 115.8332 66.4209 68.3550 176.7129 71 A 3.9993 8.0585 122.8651 55.0150 18.3408 179.4791 72 L 3.6835 8.1379 119.1125 58.0059 42.0954 179.3467 73 G 3.1322 8.4311 105.9112 47.6295 0.0000 175.4561 74 A 3.9595 7.7982 122.1398 54.8026 18.6622 179.5866 75 I 3.7526 7.4068 117.8183 64.5402 37.2042 178.6079 76 L 3.9481 7.7363 119.9405 57.7775 41.1919 179.7838 77 K 3.9137 7.7880 116.9889 58.7039 32.2683 178.8894 78 K 3.9280 7.7788 118.1203 56.1863 32.5784 176.6586 79 K 2.0000 8.2437 118.2944 56.3926 29.8023 175.1243 80 G 3.9796 7.8453 105.7384 45.8578 0.0000 173.9144 81 H 4.8228 7.5486 118.2190 54.5315 27.6009 174.9190 82 H 5.5891 7.1393 110.3107 54.7002 29.6490 176.9001 83 E 3.9854 8.5370 121.7678 60.4733 28.9864 178.9306 84 A 4.1252 7.9063 118.6513 55.2429 17.7102 179.0885 85 E 4.1110 8.1409 116.6435 59.3526 29.6775 179.2392 86 L 4.3592 8.2326 119.0791 57.1643 41.6555 179.1426 87 K 3.8873 7.8377 119.2311 59.3016 32.0823 177.4156 88 P 4.3336 0.0000 0.0000 65.6449 31.3080 178.1977 89 L 4.0085 7.5574 120.2446 58.0475 42.0867 178.8329 90 A 4.1983 8.6009 121.1426 55.1169 18.3108 179.4050 91 Q 3.9383 8.2564 118.3781 59.4173 29.1329 178.6907 92 S 4.0667 8.1774 115.3449 61.8621 63.0446 176.1177 93 H 4.2311 8.6245 119.4939 57.8701 28.2223 177.6173 94 A 2.8413 7.9268 122.1175 54.5193 18.6458 179.1718 95 T 3.9068 7.4538 112.4650 65.6144 69.0653 176.2194 96 K 4.0625 7.4861 119.7912 58.9591 32.8827 177.3959 97 H 4.2083 8.1316 115.9291 56.6412 29.3681 175.8234 98 K 3.0790 7.4667 116.8938 56.9882 28.6014 175.1840 99 I 4.3236 8.1009 118.6815 58.8880 38.3918 175.0520 100 P 4.5496 0.0000 0.0000 62.0487 32.1268 177.6835 101 I 3.7244 8.3573 121.3803 64.5796 36.9158 178.4881 102 K 3.8149 7.9664 119.9016 59.8678 31.9402 178.2392 103 Y 4.2344 7.9344 116.8374 60.8383 37.8139 178.0806 104 L 4.2880 7.9385 119.6325 57.5996 41.8085 179.1285 105 E 4.0640 8.2561 118.9818 59.2595 29.3681 179.2703 106 F 4.5669 7.8843 117.8860 60.8385 38.9430 177.6404 107 I 3.8750 8.2025 118.1962 64.0723 37.7755 178.0970 108 S 4.1967 8.3292 116.3808 61.4931 62.6258 176.2216 109 E 4.0412 8.5390 121.9014 59.1497 29.3984 178.7796 110 A 4.0011 8.1094 120.9212 55.1030 18.4659 179.5867 111 I 3.6038 8.0855 118.6838 64.7241 37.1509 178.7691 112 I 3.7912 7.9008 120.5194 64.5450 36.9274 177.9828 113 H 4.0915 8.4425 119.1657 59.2926 29.7006 177.5574 114 V 3.5386 7.9028 119.9970 66.0072 31.2946 178.0383 115 L 3.7964 7.7687 118.7627 57.7736 41.0125 178.9630 116 H 4.4004 8.0237 117.7331 59.2040 29.8735 177.1427 117 S 4.1151 7.7763 113.9543 61.5803 62.4351 176.0374 118 R 4.0059 8.0639 119.4078 57.6566 31.2901 176.6458 119 H 5.0466 8.2100 115.5107 54.0067 28.9785 173.2439 120 P 4.3869 0.0000 0.0000 65.3482 31.8222 178.5569 121 G 3.7648 8.0496 106.9210 47.6907 0.0000 173.8200 122 N 5.0446 8.2734 114.4286 52.7273 40.9210 174.3877 123 F 4.8722 8.0124 118.5226 56.6026 39.6566 174.3230 124 G 3.8949 7.6384 108.7453 43.9075 0.0000 172.0558 125 A 3.8892 8.4308 120.6213 55.4151 18.2675 179.7170 126 D 4.1854 7.9398 116.5102 57.4102 40.9842 178.7052 127 A 3.8953 7.7233 120.7974 55.1152 18.3488 179.3149 128 Q 2.9646 7.7686 118.4377 58.7585 29.0173 178.6246 129 G 3.4937 8.0381 106.6518 47.6587 0.0000 175.5644 130 A 3.8506 7.9767 123.2279 55.0065 18.3018 179.4278 131 M 3.9954 8.1335 116.8051 58.7380 32.2921 177.9229 132 N 4.3005 8.4957 117.6369 56.5573 39.1506 176.7141 133 K 3.8364 8.1151 120.7880 59.4041 32.2443 178.6349 134 A 3.8369 7.9563 121.0597 55.1865 18.2305 179.6844 135 L 4.1360 8.2865 117.7732 57.8646 41.5842 179.5854 136 E 3.9864 8.6604 119.2310 59.1143 29.2792 179.0650 137 L 3.9526 8.0881 120.4952 57.9976 42.1426 178.6857 138 F 4.1444 8.2779 120.5748 61.6490 39.3040 177.4224 139 R 3.3980 8.2073 117.6713 58.6661 29.7535 179.0358 140 K 3.8342 8.2553 119.9067 59.6925 32.2651 178.7403 141 D 4.3445 8.2372 119.3313 57.1892 40.6846 178.9030 142 I 3.3488 7.5390 120.3545 64.0213 36.9798 178.1769 143 A 3.7663 7.9424 121.7781 55.0616 18.2731 179.5237 144 A 3.9174 7.8664 119.2101 55.2135 18.4585 179.8392 145 K 3.9675 7.9885 118.1320 59.7065 32.1903 178.5288 146 Y 4.4918 8.5097 117.5974 61.1562 37.6831 178.6595 147 K 3.9401 8.2037 120.3597 59.7576 32.1209 178.7726 148 E 4.0592 7.8782 116.9889 58.9554 29.4573 178.5145 149 L 4.3795 7.9378 116.9611 55.0594 42.0409 177.7325 150 G 3.9241 7.8555 107.3875 45.2265 0.0000 172.2715 151 Y 4.7376 7.7550 120.6810 55.3502 40.1000 175.5308 152 Q 3.7381 8.4359 128.4797 57.2337 29.5457 176.0406 153 G 3.6689 5.4289 109.8525 45.6577 0.0000 173.0419 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 V 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.14 0.00 0.97 0.68 0.59 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.02 4.55 0.00 4.03 3.97 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 4 E 8.82 4.29 0.00 2.19 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 2.43 2.51 0.00 5 G 8.11 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 0.00 0.00 0.00 6 E 8.07 3.92 0.00 1.93 1.72 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 2.21 2.25 0.00 7 W 8.13 4.41 0.00 3.54 3.16 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 8 Q 8.61 4.22 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 9 L 7.89 4.09 0.00 1.91 1.73 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 3.76 2.49 0.00 0.00 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 0.94 0.00 0.00 11 L 8.61 4.27 0.00 1.81 1.81 0.95 0.93 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 12 H 8.42 4.43 0.00 3.32 3.40 0.00 5.94 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.77 2.44 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 1.05 0.00 0.00 0.89 0.00 0.00 14 W 8.45 3.86 0.00 3.69 3.18 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 15 A 7.87 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.79 3.95 0.00 1.43 1.58 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.40 7.81 17 V 7.08 2.70 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 0.00 0.00 0.04 0.00 0.00 0.22 0.00 0.00 18 E 7.59 3.99 0.00 2.05 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 0.00 2.26 2.30 0.00 19 A 7.60 4.21 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 20 D 7.84 4.66 0.00 2.71 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 21 V 7.82 3.43 1.97 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 0.72 0.00 0.00 0.85 0.00 0.00 22 A 8.00 4.04 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 23 G 8.29 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 0.00 0.00 0.00 24 H 8.18 4.11 0.00 3.21 3.15 0.00 5.82 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 25 G 8.19 3.36 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 0.00 26 Q 7.95 4.13 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 27 D 7.82 4.33 0.00 2.74 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 28 I 7.61 3.57 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.60 0.00 0.00 29 W 7.88 4.02 0.00 3.31 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.82 3.75 2.00 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 1.45 0.79 0.92 0.00 0.00 31 R 8.02 3.80 0.00 1.96 2.02 0.00 3.03 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 L 8.00 3.93 0.00 1.79 1.57 1.12 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.23 4.67 0.00 3.11 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 34 K 7.88 4.08 0.00 1.80 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.62 7.81 35 S 7.99 4.27 0.00 3.74 3.53 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 36 H 8.36 4.73 0.00 2.86 2.77 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.65 0.00 2.15 2.12 0.00 3.84 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 2.10 2.17 0.00 38 E 8.27 4.11 0.00 2.30 2.30 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 2.23 2.52 0.00 39 T 8.06 3.78 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 40 L 8.03 3.72 0.00 1.19 1.70 -0.13 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.81 4.12 0.00 2.23 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 2.38 2.54 0.00 42 K 8.08 4.42 0.00 1.90 1.71 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.78 1.98 7.81 43 F 8.15 4.53 0.00 3.25 3.05 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 44 D 8.47 4.31 0.00 2.59 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.65 3.84 0.00 1.37 0.80 0.00 3.01 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.33 0.00 46 F 7.48 4.99 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.06 0.00 1.83 2.21 0.00 1.60 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.38 7.81 48 H 8.01 4.42 0.00 3.29 3.45 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.38 4.03 0.00 1.52 1.55 0.79 0.56 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 50 K 9.11 4.25 0.00 1.71 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 51 T 7.30 4.75 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 1.20 0.00 0.00 52 E 8.64 3.95 0.00 2.06 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 2.38 2.39 0.00 53 A 7.94 3.99 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 54 E 7.82 3.94 0.00 2.10 2.00 0.00 0.00 0.00 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 2.34 0.00 55 M 8.07 4.13 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 56 K 8.25 3.94 0.00 1.77 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 57 A 7.92 4.38 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 58 S 7.50 4.24 0.00 3.92 3.82 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 59 E 8.84 4.02 0.00 2.14 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 2.50 0.00 60 D 8.12 4.46 0.00 3.00 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 61 L 7.94 2.98 0.00 0.99 1.50 -1.06 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.05 4.02 0.00 1.98 2.02 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 63 K 8.35 4.06 0.00 2.12 1.95 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.68 7.81 64 H 8.91 4.56 0.00 3.63 3.56 0.00 5.78 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 65 G 8.62 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.81 3.60 2.33 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 1.06 0.00 0.00 0.99 0.00 0.00 67 T 7.92 3.91 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 1.32 0.00 0.00 68 V 8.12 3.59 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.22 0.00 0.00 69 L 8.15 4.17 0.00 1.74 1.89 0.77 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.27 4.06 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 1.26 0.00 0.00 71 A 8.06 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 72 L 8.14 3.68 0.00 1.55 1.69 0.25 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.80 3.96 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 75 I 7.41 3.75 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.87 0.00 0.00 76 L 7.74 3.95 0.00 1.39 1.58 -0.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.79 3.91 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.53 7.81 78 K 7.78 3.93 0.00 1.90 1.76 0.00 1.90 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.75 7.81 79 K 8.24 2.00 0.00 1.18 0.74 0.00 1.37 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.40 1.00 7.81 80 G 7.85 3.98 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 0.00 0.00 0.00 81 H 7.55 4.82 0.00 3.20 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.14 5.59 0.00 3.29 3.45 0.00 5.66 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 83 E 8.54 3.99 0.00 2.09 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 2.42 2.47 0.00 84 A 7.91 4.13 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 85 E 8.14 4.11 0.00 2.24 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 2.39 2.46 0.00 86 L 8.23 4.36 0.00 1.72 1.70 0.82 0.86 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 87 K 7.84 3.89 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 89 L 7.56 4.01 0.00 2.04 1.90 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.60 4.20 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 91 Q 8.26 3.94 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 92 S 8.18 4.07 0.00 4.04 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 93 H 8.62 4.23 0.00 3.63 3.66 0.00 5.80 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 94 A 7.93 2.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.45 3.91 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 1.12 0.00 0.00 96 K 7.49 4.06 0.00 1.55 1.68 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.36 7.81 97 H 8.13 4.21 0.00 3.03 3.17 0.00 5.86 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 98 K 7.47 3.08 0.00 1.76 1.68 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.22 7.81 99 I 8.10 4.32 2.15 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 1.38 1.00 1.20 0.00 0.00 100 P 0.00 4.55 0.00 1.78 1.76 0.00 2.83 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 1.43 1.94 0.00 101 I 8.36 3.72 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.83 0.84 0.00 0.00 102 K 7.97 3.81 0.00 1.69 1.68 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.30 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.84 1.30 7.81 103 Y 7.93 4.23 0.00 3.28 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.94 4.29 0.00 1.89 1.85 0.79 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.26 4.06 0.00 2.06 2.00 0.00 0.00 0.00 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 2.50 0.00 106 F 7.88 4.57 0.00 3.27 2.92 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 0.00 107 I 8.20 3.88 2.08 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 1.51 1.63 1.10 0.00 0.00 108 S 8.33 4.20 0.00 4.21 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 0.00 109 E 8.54 4.04 0.00 2.27 2.32 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 2.39 2.42 0.00 110 A 8.11 4.00 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 0.00 111 I 8.09 3.60 2.08 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 1.50 0.89 1.02 0.00 0.00 112 I 7.90 3.79 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.90 1.14 0.00 0.00 113 H 8.44 4.09 0.00 3.37 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.54 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 0.86 0.00 0.00 0.93 0.00 0.00 115 L 7.77 3.80 0.00 0.47 0.45 0.75 0.59 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 0.00 116 H 8.02 4.40 0.00 3.46 3.57 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.78 4.12 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 0.00 118 R 8.06 4.01 0.00 1.53 1.58 0.00 3.15 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 119 H 8.21 5.05 0.00 3.18 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.77 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 4.39 0.00 2.17 2.15 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 121 G 8.05 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.27 5.04 0.00 2.67 2.74 0.00 0.00 6.66 6.73 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 0.00 123 F 8.01 4.87 0.00 2.96 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 0.00 124 G 7.64 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 0.00 0.00 0.00 125 A 8.43 3.89 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 0.00 126 D 7.94 4.19 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.72 3.90 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 0.00 128 Q 7.77 2.96 0.00 1.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 129 G 8.04 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.85 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 0.00 131 M 8.13 4.00 0.00 2.51 2.39 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 132 N 8.50 4.30 0.00 2.87 2.93 0.00 0.00 6.87 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 0.00 133 K 8.12 3.84 0.00 1.91 1.73 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.36 7.81 134 A 7.96 3.84 1.25 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 0.00 135 L 8.29 4.14 0.00 1.76 1.84 0.99 1.13 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 0.00 136 E 8.66 3.99 0.00 2.13 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 2.34 2.58 0.00 137 L 8.09 3.95 0.00 1.89 1.99 0.98 0.91 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 0.00 138 F 8.28 4.14 0.00 3.14 3.26 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 0.00 139 R 8.21 3.40 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.01 0.00 140 K 8.26 3.83 0.00 1.82 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.24 4.34 0.00 2.75 2.69 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 0.00 142 I 7.54 3.35 1.34 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 -0.09 0.00 0.00 143 A 7.94 3.77 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 0.00 144 A 7.87 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 3.97 0.00 1.98 1.94 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.51 4.49 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.20 3.94 0.00 1.97 2.06 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.88 4.06 0.00 2.20 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 2.36 2.52 0.00 149 L 7.94 4.38 0.00 1.85 1.74 1.04 0.89 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 0.00 150 G 7.86 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 0.00 0.00 0.00 151 Y 7.75 4.74 0.00 2.61 2.59 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 0.00 152 Q 8.44 3.74 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 153 G 5.43 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00