NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1438 8.0549 114.0600 61.2659 33.0659 174.1771 2 L 4.2228 8.0669 120.5710 51.6789 42.9827 176.1150 3 S 4.5197 8.3557 117.3932 57.7390 66.3167 174.7452 4 E 4.2199 8.8846 122.6088 59.5958 29.2784 179.1510 5 G 3.6474 8.0883 105.1919 47.8741 0.0000 175.4258 6 E 3.9533 8.2953 121.0610 58.9307 29.3686 179.4158 7 W 4.4106 8.4864 119.3691 59.8353 29.0266 178.6440 8 Q 4.0904 8.1613 117.9145 58.9486 28.2123 178.6167 9 L 4.0617 7.9416 120.0092 57.7680 41.6225 179.6363 10 V 3.6976 7.9387 118.0035 66.3482 31.6794 178.2329 11 L 4.1859 8.4521 118.5512 57.7271 41.1522 179.0774 12 H 4.3182 8.3258 118.1135 59.1052 30.1236 177.1717 13 V 3.6657 8.0264 120.1655 65.7707 31.3664 177.6814 14 W 4.1118 8.6093 128.0145 60.5528 30.1871 177.6647 15 A 3.9654 7.8512 119.6090 54.8949 18.0423 179.4839 16 K 3.9094 7.8981 117.0644 59.6082 32.1291 179.6650 17 V 2.7428 7.1531 117.8670 65.7209 31.0817 177.6511 18 E 3.8169 7.6643 116.7583 58.5867 29.2867 178.7117 19 A 4.1776 7.4672 120.0938 53.8702 19.9348 177.4637 20 D 4.5653 7.6044 113.7650 52.5434 43.6869 175.8316 21 V 3.4343 7.7838 123.6466 65.6371 32.2163 176.7001 22 A 4.0408 8.0086 120.1041 55.1890 18.3621 179.6839 23 G 3.4853 8.4162 104.1441 48.2076 0.0000 175.7558 24 H 4.1729 8.2516 118.7755 58.4546 28.7323 178.1196 25 G 3.5423 8.2826 107.8513 47.6701 0.0000 175.6041 26 Q 3.7777 7.8940 121.6487 59.1294 29.1868 177.8995 27 D 4.2482 7.8004 119.5553 57.3437 40.8068 179.0647 28 I 3.6147 7.8051 120.2553 64.4034 37.1318 178.5342 29 L 3.4426 7.5266 119.6795 57.3921 41.2945 179.5756 30 I 3.4830 7.5848 119.9361 64.3687 37.0851 178.2424 31 R 3.7747 7.7419 119.3495 59.3753 29.8315 178.2953 32 L 3.9070 7.6831 119.8416 58.2890 41.7745 179.0060 33 F 4.5748 7.8806 117.8293 60.5006 38.5529 177.8522 34 K 4.1186 8.0541 117.4076 59.3640 32.0707 179.3289 35 S 4.2752 7.9070 114.6232 60.3046 64.1142 174.4015 36 H 4.6197 8.0476 118.3186 51.8913 28.9062 171.8278 37 P 4.4381 0.0000 0.0000 64.5219 31.1215 177.4607 38 E 4.0361 8.2673 116.3640 59.5990 29.4036 179.1880 39 T 3.9093 8.1826 111.1503 64.6249 68.7626 176.1751 40 L 3.6143 7.7677 122.8780 57.8367 41.7274 178.8092 41 E 4.1073 7.7541 116.3898 58.9297 29.4327 178.8625 42 K 4.4223 8.1052 116.9284 57.1014 32.7149 177.0008 43 F 4.5608 8.0845 119.1288 55.4031 38.5124 175.9841 44 D 4.4472 8.4509 126.2978 56.8205 40.9357 178.4654 45 R 3.8348 7.8067 118.2623 58.1193 30.2507 176.5564 46 F 5.1085 7.9184 113.7517 56.5671 40.7836 176.7614 47 K 3.8486 8.3616 120.0465 59.4165 31.8825 177.4887 48 H 4.4314 8.2155 112.4331 56.9346 28.9787 175.2971 49 L 4.3220 7.8088 121.9108 53.9023 42.4574 175.4762 50 K 4.3272 9.1868 121.4538 58.2078 34.3957 177.2829 51 T 4.4712 7.6273 110.0306 59.2802 72.0681 174.9129 52 E 3.8696 8.5283 121.1370 59.3061 29.6862 178.3986 53 A 3.9820 8.0072 120.2922 55.4798 18.2016 179.3746 54 E 3.9456 7.9024 115.5183 59.5806 29.7981 179.0774 55 M 4.1548 8.1512 118.8578 58.4578 31.8712 178.7034 56 K 3.8821 8.2497 118.3337 59.3615 32.4204 178.0771 57 A 4.3239 7.6723 118.9618 52.4360 18.6480 177.2837 58 S 4.2385 7.5677 113.3846 57.9346 62.8679 174.7477 59 E 4.0392 8.9005 128.4578 59.3514 29.3630 178.5715 60 D 4.4558 8.1916 117.8312 57.2643 41.3295 177.9999 61 L 3.6365 8.1473 120.8423 57.8483 42.0153 178.5954 62 K 3.7913 7.7565 119.6231 59.5446 32.1777 178.4767 63 K 3.9507 8.1917 119.6580 59.8637 32.1437 178.2713 64 H 4.4099 8.4681 118.5689 59.1176 29.8412 177.3143 65 G 3.6373 8.2404 107.6847 47.8625 0.0000 175.7041 66 V 3.6088 7.6168 120.2926 66.0149 31.4353 178.0603 67 T 3.8822 7.7855 115.0872 66.7304 68.2999 176.7176 68 V 3.6038 7.8292 119.8149 66.1756 31.5888 178.2175 69 L 4.2654 8.0584 118.5906 57.9531 41.3848 179.6750 70 T 4.0049 8.4048 116.2109 66.5161 68.1641 176.5943 71 A 4.0428 7.9369 122.6323 55.0484 18.4170 179.4736 72 L 3.8658 8.0696 119.1272 57.8293 42.1334 179.2485 73 G 3.2821 8.5611 106.0553 47.5700 0.0000 175.3151 74 A 3.9877 7.7289 122.1217 54.9476 18.6803 179.5513 75 I 3.7879 7.3197 117.9491 64.6031 37.1986 178.6200 76 L 4.0002 7.6316 119.6658 57.7522 41.2407 179.5201 77 K 3.9935 7.6775 116.1604 57.9748 32.1256 178.2407 78 K 4.0903 7.8671 118.5045 55.0773 32.9394 176.2957 79 K 2.0000 8.2634 118.8354 56.4179 29.7449 175.4842 80 G 3.9083 7.7370 106.1949 45.7767 0.0000 173.5976 81 H 4.5913 8.1458 120.4344 55.1368 27.3544 174.8079 82 H 5.1117 7.2932 111.5234 55.2614 29.7782 176.6848 83 E 3.9772 8.6366 121.9202 60.5174 28.9862 179.0070 84 A 4.0697 7.9741 118.5987 54.7570 18.5636 178.6974 85 E 4.2301 7.9718 115.5960 58.3295 30.3056 177.9233 86 L 4.1994 8.2172 120.8381 57.1100 42.2588 178.3393 87 K 3.7964 7.9432 119.8690 59.3464 32.1029 176.8178 88 P 4.2717 0.0000 0.0000 65.4288 31.1732 178.4124 89 L 4.0137 7.9094 118.4688 58.0379 42.0757 178.6269 90 A 4.0847 7.9437 120.7105 55.3369 18.2680 179.6106 91 Q 3.8077 8.1260 116.7195 59.0853 28.7257 179.3155 92 S 3.9765 8.0971 115.2420 61.8322 63.1274 176.2675 93 H 4.0872 8.9814 120.1907 58.0884 28.1458 177.7847 94 A 3.0646 7.7266 122.3624 54.7456 18.3704 179.1904 95 T 3.8253 7.3276 105.6759 62.0609 69.4756 175.2202 96 K 4.2244 7.6585 121.1839 58.2327 33.5223 176.8969 97 H 4.3008 7.7415 112.9753 55.9650 29.6106 174.9027 98 K 3.7449 7.6447 119.2577 57.2248 29.8666 174.6613 99 I 4.3439 7.8114 119.3704 58.8982 39.0779 175.0310 100 P 4.6643 0.0000 0.0000 62.1377 32.3671 177.2706 101 I 3.4703 8.0758 121.1796 64.5720 36.9185 178.7464 102 K 3.7436 7.8893 119.6826 59.5336 31.9384 178.2280 103 Y 4.2721 7.9519 117.0511 60.7653 37.7296 178.1169 104 L 4.1938 7.9283 120.3248 57.5579 41.6542 179.0230 105 E 3.9936 7.9075 119.0918 59.0776 29.6058 178.7062 106 F 4.4231 7.8645 117.9960 60.7485 38.9464 177.5407 107 I 3.7897 8.1081 118.1938 63.9058 37.7060 177.9952 108 S 4.1731 8.2009 116.3239 61.8513 62.6702 176.5917 109 E 4.0673 8.3303 120.8415 59.3920 29.2018 179.3096 110 A 4.0222 8.2724 120.9094 55.0008 18.4070 179.7918 111 I 3.6580 8.1407 118.8637 64.7583 37.1707 178.7353 112 I 3.7732 7.8429 120.6381 64.4134 36.8101 177.8595 113 H 4.0064 8.5420 119.3780 59.3216 29.7235 177.2722 114 V 3.5989 7.7603 121.1019 65.3312 31.2341 177.7674 115 L 3.7121 7.5687 118.3406 58.1669 41.3172 179.2154 116 H 4.3278 8.2487 116.0321 59.1674 28.4549 178.0202 117 S 4.1884 8.1937 117.0543 61.6393 62.4178 177.0443 118 R 3.9214 8.1432 119.8760 58.0605 31.3679 176.9812 119 H 5.0211 8.0958 114.0515 53.2830 29.0823 172.3553 120 P 4.4432 0.0000 0.0000 64.2603 31.7607 177.6915 121 G 4.0743 7.4897 107.5325 42.8642 0.0000 170.6783 122 D 4.6026 8.0115 132.6483 55.3577 44.1797 178.0116 123 F 4.5435 8.0991 123.1984 57.3723 37.5420 175.2158 124 G 3.8858 7.7680 113.2378 42.0764 0.0000 170.7061 125 A 4.0126 8.3536 121.4230 55.3974 18.0694 179.5497 126 D 4.2189 7.9726 116.4892 56.6321 39.3942 178.4620 127 A 3.9352 7.7302 121.8874 54.6102 18.4371 179.0918 128 Q 3.6595 8.3448 119.3052 59.2688 29.1525 178.9077 129 G 3.5810 8.4590 106.7956 47.6889 0.0000 175.5542 130 A 3.8968 7.8705 123.0869 55.0006 18.2997 179.4093 131 M 3.9722 8.3753 117.1216 58.6530 32.3507 177.6516 132 N 4.2625 8.1319 117.2346 56.9672 39.1149 176.7389 133 K 3.8417 7.8809 119.0722 59.4778 32.1583 179.1919 134 A 3.7885 7.8799 120.8430 55.1357 18.3054 179.7599 135 L 4.0364 8.2720 117.8348 57.8441 41.5550 179.6067 136 E 4.0413 8.3278 118.8575 58.9952 29.3724 178.8772 137 L 4.0533 8.0299 120.5234 58.1605 42.1537 178.8129 138 F 4.1604 8.2327 120.2780 61.4677 39.3423 177.2609 139 R 3.6463 8.2064 117.5692 59.0452 29.8108 178.7826 140 K 3.8055 8.8423 120.5450 59.8505 31.5899 178.5181 141 D 4.3545 8.0583 118.9630 57.2019 40.6247 178.8765 142 I 3.5181 7.4741 120.1500 64.3054 37.0162 178.2635 143 A 3.6936 7.8428 121.2822 55.0847 18.1839 179.5614 144 A 3.9533 7.7959 119.0481 55.0706 18.3865 179.7555 145 K 4.0141 7.7401 117.3730 59.5573 32.2454 178.7012 146 Y 4.1046 8.5719 117.6708 60.9653 37.9289 178.4637 147 K 3.9627 8.5540 120.8925 59.3968 32.0590 178.0574 148 E 3.9473 7.8492 118.1217 59.6432 29.6726 178.6995 149 L 4.3237 7.9748 115.9539 55.5076 41.8664 177.5536 150 G 3.8090 8.1027 106.5202 46.6191 0.0000 173.6181 151 Y 4.2952 7.6433 114.2592 57.5944 38.6583 175.8553 152 Q 3.7509 7.5326 122.3239 59.3349 28.0365 177.3418 153 G 4.0577 9.2637 114.0410 45.7515 0.0000 172.0673 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 4.14 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 0.95 0.00 0.00 0.98 0.00 0.00 2 L 8.07 4.22 0.00 0.89 0.69 0.39 -0.61 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 3 S 8.36 4.52 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.88 4.22 0.00 2.18 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 2.53 0.00 5 G 8.09 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 8.30 3.95 0.00 1.97 1.78 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 2.25 2.29 0.00 7 W 8.49 4.41 0.00 3.52 3.17 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 8 Q 8.16 4.09 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 9 L 7.94 4.06 0.00 1.90 1.77 0.96 0.90 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 10 V 7.94 3.70 2.42 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 1.23 0.00 0.00 0.86 0.00 0.00 11 L 8.45 4.19 0.00 1.84 1.80 0.94 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 12 H 8.33 4.32 0.00 3.17 3.63 0.00 5.95 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 13 V 8.03 3.67 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 0.93 0.00 0.00 1.22 0.00 0.00 14 W 8.61 4.11 0.00 3.57 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 15 A 7.85 3.97 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 16 K 7.90 3.91 0.00 1.69 1.55 0.00 1.37 0.00 0.00 1.33 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.49 7.81 17 V 7.15 2.74 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 0.00 0.00 -0.01 0.00 0.00 0.23 0.00 0.00 18 E 7.66 3.82 0.00 1.86 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 2.24 2.13 0.00 19 A 7.47 4.18 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 20 D 7.60 4.57 0.00 2.62 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 7.78 3.43 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 1.03 0.00 0.00 0.91 0.00 0.00 22 A 8.01 4.04 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 23 G 8.42 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 24 H 8.25 4.17 0.00 3.21 3.22 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 8.28 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.89 3.78 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 27 D 7.80 4.25 0.00 2.87 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 28 I 7.81 3.61 1.79 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 1.48 0.92 0.86 0.00 0.00 29 L 7.53 3.44 0.00 1.31 0.87 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.58 3.48 1.80 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 1.31 0.66 0.85 0.00 0.00 31 R 7.74 3.77 0.00 1.92 2.05 0.00 3.00 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 32 L 7.68 3.91 0.00 1.78 1.46 1.02 0.91 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 33 F 7.88 4.57 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.05 4.12 0.00 1.69 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.59 7.81 35 S 7.91 4.28 0.00 3.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.05 4.62 0.00 3.01 2.86 0.00 5.63 0.00 0.00 0.00 0.00 6.86 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 4.44 0.00 2.14 2.10 0.00 3.80 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 2.08 1.98 0.00 38 E 8.27 4.04 0.00 2.28 2.29 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 2.23 2.54 0.00 39 T 8.18 3.91 4.47 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 0.85 0.00 0.00 40 L 7.77 3.61 0.00 1.26 1.66 -0.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.11 0.00 2.11 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 8.11 4.42 0.00 1.96 1.74 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.74 1.95 7.81 43 F 8.08 4.56 0.00 3.26 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 44 D 8.45 4.45 0.00 2.61 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 45 R 7.81 3.83 0.00 1.41 0.97 0.00 2.99 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 46 F 7.92 5.11 0.00 2.95 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 47 K 8.36 3.85 0.00 1.77 1.91 0.00 2.06 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.68 7.81 48 H 8.22 4.43 0.00 3.29 3.42 0.00 5.52 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 7.81 4.32 0.00 1.60 1.57 0.93 0.80 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 50 K 9.19 4.33 0.00 1.80 1.86 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.33 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.32 7.81 51 T 7.63 4.47 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.53 3.87 0.00 2.03 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 0.00 2.35 2.35 0.00 53 A 8.01 3.98 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 7.90 3.95 0.00 2.13 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 2.34 0.00 55 M 8.15 4.15 0.00 2.03 2.29 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 2.76 2.58 0.00 56 K 8.25 3.88 0.00 1.81 1.82 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 57 A 7.67 4.32 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 7.57 4.24 0.00 3.92 3.88 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 59 E 8.90 4.04 0.00 2.05 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 2.41 2.32 0.00 60 D 8.19 4.46 0.00 2.90 2.89 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 61 L 8.15 3.64 0.00 1.54 1.65 -0.11 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.76 3.79 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 K 8.19 3.95 0.00 1.93 2.04 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.47 4.41 0.00 3.64 3.65 0.00 5.85 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 8.24 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 66 V 7.62 3.61 2.26 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.79 3.88 4.43 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 1.27 0.00 0.00 68 V 7.83 3.60 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 1.10 0.00 0.00 0.94 0.00 0.00 69 L 8.06 4.27 0.00 1.86 1.81 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.40 4.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 7.94 4.04 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 72 L 8.07 3.87 0.00 1.67 1.66 0.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.56 3.28 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 0.00 74 A 7.73 3.99 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 75 I 7.32 3.79 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 0.98 0.00 0.00 76 L 7.63 4.00 0.00 1.18 1.54 -0.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.99 0.00 1.85 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.36 7.81 78 K 7.87 4.09 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.59 7.81 79 K 8.26 2.00 0.00 0.87 0.74 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.79 0.83 7.81 80 G 7.74 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 0.00 0.00 0.00 81 H 8.15 4.59 0.00 3.05 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.29 5.11 0.00 3.29 3.44 0.00 5.50 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 8.64 3.98 0.00 2.10 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 0.00 2.43 2.50 0.00 84 A 7.97 4.07 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 85 E 7.97 4.23 0.00 2.09 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 0.00 2.29 2.43 0.00 86 L 8.22 4.20 0.00 1.69 1.82 0.65 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.94 3.80 0.00 1.89 1.90 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.51 7.81 88 P 0.00 4.27 0.00 2.22 2.10 0.00 3.69 0.00 0.00 3.70 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 89 L 7.91 4.01 0.00 1.76 1.85 1.05 1.12 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 90 A 7.94 4.08 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 91 Q 8.13 3.81 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 92 S 8.10 3.98 0.00 3.92 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 93 H 8.98 4.09 0.00 3.41 3.56 0.00 5.81 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 7.73 3.06 0.01 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 0.00 0.00 95 T 7.33 3.83 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 0.91 0.00 0.00 96 K 7.66 4.22 0.00 1.57 1.71 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.16 1.28 7.81 97 H 7.74 4.30 0.00 3.05 3.17 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.64 3.74 0.00 1.82 1.78 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.49 7.81 99 I 7.81 4.34 2.04 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 1.40 1.14 1.12 0.00 0.00 100 P 0.00 4.66 0.00 1.87 1.97 0.00 3.08 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 0.49 1.42 0.00 101 I 8.08 3.47 1.75 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 0.73 0.00 0.00 102 K 7.89 3.74 0.00 1.72 1.66 0.00 1.47 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 0.53 7.81 103 Y 7.95 4.27 0.00 3.27 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 0.00 104 L 7.93 4.19 0.00 1.81 1.80 0.69 0.95 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 0.00 105 E 7.91 3.99 0.00 1.97 1.92 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 2.41 2.43 0.00 106 F 7.86 4.42 0.00 3.18 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 0.00 107 I 8.11 3.79 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 1.09 0.00 0.00 108 S 8.20 4.17 0.00 4.14 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 0.00 109 E 8.33 4.07 0.00 2.12 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 0.00 2.58 2.59 0.00 110 A 8.27 4.02 1.35 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 0.00 0.00 111 I 8.14 3.66 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 0.97 0.00 0.00 112 I 7.84 3.77 1.99 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 1.63 0.74 1.14 0.00 0.00 113 H 8.54 4.01 0.00 3.39 3.55 0.00 5.79 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 0.00 114 V 7.76 3.60 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 0.93 0.00 0.00 0.96 0.00 0.00 115 L 7.57 3.71 0.00 0.71 0.59 0.60 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.25 4.33 0.00 3.39 3.38 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 0.00 117 S 8.19 4.19 0.00 3.77 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 0.00 118 R 8.14 3.92 0.00 1.50 1.45 0.00 3.01 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 119 H 8.10 5.02 0.00 3.14 3.17 0.00 5.65 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 0.00 120 P 0.00 4.44 0.00 2.06 2.17 0.00 3.71 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 121 G 7.49 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 0.00 122 D 8.01 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 0.00 123 F 8.10 4.54 0.00 2.83 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 0.00 124 G 7.77 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 8.35 4.01 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 7.97 4.22 0.00 2.84 2.89 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 0.00 127 A 7.73 3.94 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 0.00 128 Q 8.34 3.66 0.00 1.41 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 129 G 8.46 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.87 3.90 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 0.00 131 M 8.38 3.97 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 132 N 8.13 4.26 0.00 2.91 2.93 0.00 0.00 7.26 6.77 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 0.00 133 K 7.88 3.84 0.00 1.86 1.68 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.51 7.81 134 A 7.88 3.79 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 0.00 135 L 8.27 4.04 0.00 1.90 1.78 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.33 4.04 0.00 2.16 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 2.52 0.00 137 L 8.03 4.05 0.00 1.85 1.99 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.23 4.16 0.00 3.11 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 0.00 139 R 8.21 3.65 0.00 2.07 1.89 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 140 K 8.84 3.81 0.00 1.79 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 141 D 8.06 4.35 0.00 2.92 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 0.00 142 I 7.47 3.52 1.56 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.16 0.38 0.00 0.00 143 A 7.84 3.69 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.80 3.95 1.35 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 0.00 0.00 145 K 7.74 4.01 0.00 1.94 2.01 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 146 Y 8.57 4.10 0.00 3.07 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 0.00 147 K 8.55 3.96 0.00 1.94 2.02 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.85 3.95 0.00 2.07 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 0.00 2.35 2.39 0.00 149 L 7.97 4.32 0.00 1.80 1.90 0.82 0.91 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 8.10 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 0.00 151 Y 7.64 4.30 0.00 2.65 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.53 3.75 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.21 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 153 G 9.26 4.06 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 0.00 0.00 0.00