NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9832 8.3549 109.7382 45.9699 0.0000 174.8443 5 S 4.4502 8.6450 115.2581 59.2795 63.8453 174.5017 6 R 3.7793 8.3145 120.7285 59.3593 30.8697 177.6230 7 R 3.6637 7.9055 116.8438 58.7507 29.9972 176.3596 8 Y 4.5278 7.8218 112.8255 57.4763 38.1450 174.9541 9 D 4.5960 7.6612 120.7247 53.5493 40.7964 176.5584 10 S 4.1203 8.6873 123.8956 59.6703 63.7809 174.3396 11 R 3.7884 8.3410 119.4417 57.2393 26.7513 177.1010 12 T 4.1718 7.7574 106.1402 63.2977 70.0724 175.3100 13 T 4.6050 7.3158 110.4941 60.5279 68.3433 172.5959 14 I 4.5861 7.1115 113.8297 59.4674 41.4875 175.4494 15 F 4.7159 8.4482 119.7340 56.7386 39.9419 176.1524 16 S 4.5436 8.4728 118.7145 55.8450 64.0353 173.5409 17 P 4.3252 0.0000 0.0000 65.0557 31.0263 177.3430 18 E 4.2760 8.1244 115.8541 55.7970 29.6164 176.1301 19 G 3.6249 8.2202 107.2939 46.6432 0.0000 174.0029 20 R 4.5832 7.9158 117.5567 54.2158 32.6886 175.9373 21 L 4.6016 7.8129 120.0696 53.9325 41.1562 177.4536 22 Y 3.5723 7.3462 119.1280 60.8279 38.0799 178.1138 23 Q 3.9679 7.9873 118.2205 59.1548 28.9778 179.4808 24 V 3.5545 7.5949 118.4254 66.0034 31.7043 177.4427 25 E 3.9772 8.1088 118.3259 60.0717 29.4008 179.2751 26 Y 4.4325 8.4035 116.5181 60.9191 37.7968 178.4333 27 A 4.0385 8.6800 122.2879 55.1371 18.4442 179.5685 28 L 3.9059 8.3324 117.9195 58.0925 41.5235 179.2954 29 E 3.8906 8.0626 117.8185 59.3384 29.6835 178.7436 30 S 4.2979 8.0237 113.1449 61.5003 62.4745 176.0441 31 I 3.7228 7.9076 122.9393 64.3259 36.6480 178.0897 32 S 4.2114 8.1209 113.3170 60.3577 62.7627 174.3922 33 H 4.7390 7.7975 118.0765 55.5220 29.6159 174.6210 34 A 4.2769 7.9961 123.4562 51.0801 19.0327 177.5228 35 G 4.0423 8.5033 106.8465 46.3123 0.0000 173.5318 36 T 4.3048 8.6338 119.7999 63.3443 69.8630 173.1279 37 A 5.1926 8.5403 126.4881 50.2046 21.9757 175.3011 38 I 4.6058 9.6290 123.7161 59.3201 41.2766 174.9622 39 G 4.4295 8.7054 112.0092 44.5836 0.0000 171.7045 40 I 4.6544 8.8206 126.5099 59.5945 40.5813 174.2257 41 M 4.6594 8.7566 126.9146 54.0882 33.1771 175.4864 42 A 4.5205 8.6218 131.1512 50.9848 20.7757 176.5359 43 S 4.4033 8.5363 111.5290 60.1939 63.5223 174.7115 44 D 4.8791 8.7567 118.9830 51.1580 39.5625 175.5497 45 G 4.0323 6.9267 109.0001 46.4330 0.0000 171.3779 46 I 5.0925 7.7892 118.7979 59.3287 41.0179 175.5980 47 V 4.4903 8.8313 123.9768 61.1013 34.7094 174.1313 48 L 5.2638 8.6837 126.5406 52.9031 44.3089 175.6541 49 A 4.8312 9.4598 125.1135 50.1058 22.2895 174.6009 50 A 4.9209 8.5413 122.5207 50.1470 22.5778 174.7152 51 E 4.4649 9.0548 122.0623 54.2838 31.4831 175.6402 52 R 4.2050 8.5905 126.7514 56.0761 30.3991 176.2247 53 K 4.0116 8.6794 124.9420 56.6395 33.0203 173.7049 54 V 3.1444 8.5777 129.2939 63.0520 31.6155 171.5487 55 T 4.7007 8.0962 114.6612 60.5943 71.9492 171.9372 56 S 4.6318 8.0202 114.8471 57.0564 65.7476 174.7496 57 T 3.9003 8.4566 118.8657 66.5931 68.2015 176.4063 58 L 4.0671 7.7621 120.1292 56.6815 41.9122 177.0628 59 L 3.8181 7.2432 120.3063 54.9296 42.0035 176.1014 60 E 4.0052 8.7403 127.6734 56.4549 30.0792 175.7978 61 Q 4.2497 8.6473 127.7874 58.1684 29.9058 177.2559 62 D 4.4001 8.1304 116.7248 57.1822 40.9228 177.2390 63 T 4.2588 7.7056 113.1355 63.9506 69.2803 174.7181 63A S 4.5374 7.4800 116.2716 58.1273 63.5271 174.7744 64 T 4.5830 7.8353 121.6338 62.8657 69.8748 173.3926 65 E 4.5023 7.9184 117.6803 56.7311 31.0816 177.8921 66 K 4.7457 7.5310 116.1476 55.8573 36.5937 175.3957 67 L 5.1965 7.6631 119.2949 53.0521 43.7850 175.5798 68 Y 4.7359 8.7425 121.6921 55.8078 41.6101 175.0676 69 K 4.5272 8.7961 124.8312 55.8944 33.1798 176.1044 70 L 4.3780 8.4795 126.3767 56.1785 42.6366 175.5221 71 N 4.9721 7.5059 113.4021 52.4662 41.8619 172.6992 72 D 4.6012 8.7030 116.1797 55.9093 41.4003 177.1500 73 K 4.7030 8.0243 116.1246 55.8909 34.4606 175.5436 74 I 5.1480 7.6988 120.7530 59.5336 41.1733 174.1904 75 A 5.1103 9.0193 126.0103 50.7477 23.1976 175.3459 76 V 4.9774 8.8331 111.4147 59.4976 36.5335 174.4980 77 A 5.2888 8.8472 124.4320 50.3200 21.4308 175.6559 78 V 4.7479 8.9553 122.6335 61.3550 33.9124 175.5498 79 A 4.2951 8.9692 127.5264 53.2814 21.4829 174.0009 80 G 3.7179 8.7147 112.6193 45.0855 0.0000 172.7715 81 L 4.0693 8.8214 125.6582 55.0051 41.7586 177.8192 82 T 3.8645 8.8400 121.6717 66.6090 68.2614 176.1758 83 A 3.9903 7.9924 121.9044 55.4572 18.6179 179.2135 84 D 4.4473 8.1585 116.5699 57.3867 40.8444 178.5089 85 A 3.9916 8.1192 121.2897 55.4490 18.3205 179.2763 86 E 3.6433 8.2364 116.7822 59.6626 29.4271 179.6730 87 I 3.6962 7.4980 119.5048 64.5691 37.2394 178.4807 88 L 3.7854 7.6438 119.0491 57.8716 41.3502 179.0999 89 I 3.3904 8.2931 120.3545 64.6279 37.0533 177.4715 90 N 4.2045 8.4067 117.6111 57.3078 38.7161 177.0694 91 T 3.8779 7.7138 110.6272 64.5873 68.7109 176.2653 92 A 3.9464 7.8702 123.5250 55.1378 18.3457 179.5575 93 R 3.8870 8.0972 116.7058 59.5851 30.1633 179.3046 94 I 3.7031 7.8616 119.2193 64.7335 37.1989 177.6176 95 H 4.1847 8.5323 119.1227 59.6235 29.5598 176.8492 96 A 3.9724 8.1116 122.1295 55.4113 18.1630 179.6955 97 Q 4.0773 7.9971 116.5150 58.8743 28.7459 178.6502 98 N 4.3635 8.2788 117.9451 56.1746 38.5334 176.7192 99 Y 4.0539 8.1816 120.9879 60.7805 38.9083 177.9832 100 L 4.3530 8.1097 122.5379 57.6265 41.9587 178.8476 101 K 3.9602 8.0753 118.6584 59.1595 32.1348 178.6308 102 T 3.8715 7.5178 115.4276 65.7197 68.7465 175.7630 103 Y 4.5012 7.8160 116.8662 56.7663 38.7240 176.4291 104 N 4.6118 8.2400 115.8750 53.9578 36.6055 173.7438 105 E 4.8306 7.6134 113.4174 54.3069 33.5606 175.1758 106 D 4.5400 8.6924 122.2372 54.0501 41.5481 176.2776 107 I 2.8158 8.2300 123.3932 59.9030 38.4823 174.5583 108 P 4.1733 0.0000 0.0000 62.2704 32.9505 177.1190 109 V 3.4655 8.2261 122.0028 66.3982 31.4072 178.2558 110 E 3.7523 7.9340 118.1040 59.1424 29.2427 178.3101 111 I 3.5778 7.6050 119.4331 64.4528 37.2047 177.9112 112 L 3.8360 7.3801 120.8988 58.1094 41.9565 179.1119 113 V 3.0171 7.3697 118.1587 65.8132 31.2927 177.9969 114 R 3.8690 8.3397 118.8855 59.0477 29.7542 178.6023 115 R 3.8230 7.6877 118.4510 59.3795 30.3370 178.1194 116 L 3.9197 7.6880 119.6373 58.4367 42.0142 179.1893 117 S 4.2362 8.2094 114.9958 61.6454 62.7411 176.3491 118 D 4.4414 8.2581 121.7200 57.2907 40.3105 178.7446 119 I 3.8026 7.8397 119.6217 64.4548 36.9431 178.1980 120 K 4.2515 7.9460 118.7039 59.7561 32.0376 178.9314 121 Q 4.1641 8.7170 120.2592 59.2610 28.7532 178.9862 122 G 3.6047 8.1768 106.5401 48.0567 0.0000 174.9999 123 Y 3.9822 7.8520 115.3882 59.3847 37.8761 177.6147 124 T 4.3584 7.6062 116.2867 63.7734 69.6167 174.8674 125 Q 4.4462 7.9002 119.7028 55.9092 30.7904 174.2477 126 H 4.5693 7.7112 110.2370 55.8079 30.9948 173.8731 127 G 3.7920 8.7267 108.5793 44.2962 0.0000 174.3116 128 G 3.9785 7.7564 105.9732 46.1877 0.0000 173.1076 129 L 4.7029 7.0456 116.5154 52.1551 43.9567 176.7438 130 R 4.1750 8.1267 116.6523 55.3125 30.2478 174.7430 131 P 4.5186 0.0000 0.0000 61.8747 32.2839 175.9094 132 F 4.3627 8.5177 118.9011 57.4174 39.8534 177.5441 133 G 4.0309 9.0065 115.9175 44.8869 0.0000 172.4171 134 V 4.8687 7.2781 119.3863 61.7587 35.7136 174.3285 135 S 4.6328 8.4706 121.1653 56.6908 66.7198 173.0350 136 F 5.3274 8.7272 121.5508 55.6760 42.1342 174.8780 137 I 4.4809 8.4157 122.4522 59.9580 39.6709 174.0393 138 Y 4.9982 8.8849 125.0611 56.4397 39.6140 175.1753 139 A 4.7054 9.3353 126.4399 50.3526 21.5832 175.1276 140 G 4.5609 8.5433 107.7180 46.0151 0.0000 170.4763 141 Y 4.9774 8.8661 120.7728 55.7483 41.5948 174.0656 142 D 4.5741 7.4698 124.1031 51.6523 42.6421 174.1011 143 D 4.5727 8.3457 117.2776 53.5304 39.4901 176.4188 144 R 4.0847 8.6636 126.4617 57.0931 30.2272 174.9644 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 4 G 8.35 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 5 S 8.65 4.45 0.00 4.04 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 6 R 8.31 3.78 0.00 1.83 1.94 0.00 3.15 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 7 R 7.91 3.66 0.00 1.46 0.93 0.00 2.49 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.36 0.00 8 Y 7.82 4.53 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.66 4.60 0.00 2.65 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 10 S 8.69 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 11 R 8.34 3.79 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 12 T 7.76 4.17 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 1.22 0.00 0.00 13 T 7.32 4.60 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 1.20 0.00 0.00 14 I 7.11 4.59 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.94 0.97 0.00 0.00 15 F 8.45 4.72 0.00 3.07 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 16 S 8.47 4.54 0.00 3.77 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 17 P 0.00 4.33 0.00 2.09 2.18 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 18 E 8.12 4.28 0.00 1.88 1.94 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 2.26 2.34 0.00 19 G 8.22 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 0.00 0.00 0.00 20 R 7.92 4.58 0.00 1.64 1.90 0.00 3.05 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 21 L 7.81 4.60 0.00 1.58 1.48 0.83 0.24 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 22 Y 7.35 3.57 0.00 2.79 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 0.00 0.00 0.00 23 Q 7.99 3.97 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 24 V 7.59 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.91 0.00 0.00 25 E 8.11 3.98 0.00 2.08 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 2.38 2.41 0.00 26 Y 8.40 4.43 0.00 3.03 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 27 A 8.68 4.04 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 28 L 8.33 3.91 0.00 1.93 1.75 0.94 0.67 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 29 E 8.06 3.89 0.00 2.03 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 2.35 2.43 0.00 30 S 8.02 4.30 0.00 4.00 4.11 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 31 I 7.91 3.72 1.97 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 1.79 0.80 0.92 0.00 0.00 32 S 8.12 4.21 0.00 3.93 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 33 H 7.80 4.74 0.00 3.27 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.00 4.28 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 35 G 8.50 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.63 4.30 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 37 A 8.54 5.19 1.18 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 0.00 0.00 38 I 9.63 4.61 1.88 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 1.17 0.67 0.92 0.00 0.00 39 G 8.71 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 0.00 0.00 0.00 0.00 40 I 8.82 4.65 1.88 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 0.84 0.92 0.00 0.00 41 M 8.76 4.66 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 8.62 4.52 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 43 S 8.54 4.40 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 44 D 8.76 4.88 0.00 2.75 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 45 G 6.93 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 46 I 7.79 5.09 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 1.27 0.77 0.94 0.00 0.00 47 V 8.83 4.49 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 1.06 0.00 0.00 0.94 0.00 0.00 48 L 8.68 5.26 0.00 1.53 1.54 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.46 4.83 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 50 A 8.54 4.92 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 51 E 9.05 4.46 0.00 2.02 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 2.22 2.27 0.00 52 R 8.59 4.21 0.00 1.83 1.88 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 53 K 8.68 4.01 0.00 1.72 1.71 0.00 2.10 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.58 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.10 4.70 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 56 S 8.02 4.63 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.46 3.90 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 58 L 7.76 4.07 0.00 1.64 1.73 0.92 1.03 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 59 L 7.24 3.82 0.00 1.71 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.74 4.01 0.00 1.95 1.86 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 2.29 2.35 0.00 61 Q 8.65 4.25 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 62 D 8.13 4.40 0.00 2.68 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 63 T 7.71 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 63A S 7.48 4.54 0.00 4.06 3.73 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 64 T 7.84 4.58 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 65 E 7.92 4.50 0.00 2.11 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 2.22 2.32 0.00 66 K 7.53 4.75 0.00 1.64 1.82 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.46 7.81 67 L 7.66 5.20 0.00 1.34 1.47 0.91 0.73 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 68 Y 8.74 4.74 0.00 2.84 2.81 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 69 K 8.80 4.53 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 70 L 8.48 4.38 0.00 1.82 1.68 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.51 4.97 0.00 2.61 2.77 0.00 0.00 6.98 8.47 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 72 D 8.70 4.60 0.00 2.73 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 73 K 8.02 4.70 0.00 1.73 2.06 0.00 1.73 0.00 0.00 2.10 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 74 I 7.70 5.15 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.96 0.00 0.00 75 A 9.02 5.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.83 4.98 1.86 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 0.27 0.00 0.00 0.85 0.00 0.00 77 A 8.85 5.29 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 78 V 8.96 4.75 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 1.31 0.00 0.00 79 A 8.97 4.30 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 80 G 8.71 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.82 4.07 0.00 1.63 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.84 3.86 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 1.33 0.00 0.00 83 A 7.99 3.99 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 84 D 8.16 4.45 0.00 2.93 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 85 A 8.12 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 86 E 8.24 3.64 0.00 2.09 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 2.05 2.54 0.00 87 I 7.50 3.70 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.52 1.03 0.00 0.00 88 L 7.64 3.79 0.00 1.94 1.65 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.29 3.39 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.77 0.00 0.00 90 N 8.41 4.20 0.00 2.79 2.95 0.00 0.00 7.10 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.71 3.88 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 1.24 0.00 0.00 92 A 7.87 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 93 R 8.10 3.89 0.00 2.00 2.02 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 94 I 7.86 3.70 2.05 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 1.65 1.21 0.94 0.00 0.00 95 H 8.53 4.18 0.00 3.30 3.53 0.00 5.79 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 96 A 8.11 3.97 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 97 Q 8.00 4.08 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 98 N 8.28 4.36 0.00 3.00 2.90 0.00 0.00 6.52 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 99 Y 8.18 4.05 0.00 3.12 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 0.00 100 L 8.11 4.35 0.00 1.99 1.87 1.02 0.48 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 0.00 101 K 8.08 3.96 0.00 1.93 1.90 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 102 T 7.52 3.87 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 0.13 0.00 0.00 103 Y 7.82 4.50 0.00 2.56 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 0.00 104 N 8.24 4.61 0.00 2.90 2.97 0.00 0.00 6.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.61 4.83 0.00 2.17 1.89 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 2.26 2.48 0.00 106 D 8.69 4.54 0.00 2.70 2.64 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 0.00 107 I 8.23 2.82 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.77 0.00 0.00 108 P 0.00 4.17 0.00 1.96 1.80 0.00 2.79 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 109 V 8.23 3.47 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 0.91 0.00 0.00 0.87 0.00 0.00 110 E 7.93 3.75 0.00 1.97 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 2.29 0.00 111 I 7.61 3.58 1.75 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 1.45 0.50 0.70 0.00 0.00 112 L 7.38 3.84 0.00 1.46 1.65 0.85 0.78 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 0.00 113 V 7.37 3.02 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 0.48 0.00 0.00 -0.29 0.00 0.00 114 R 8.34 3.87 0.00 1.80 1.86 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 115 R 7.69 3.82 0.00 1.98 2.10 0.00 3.15 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 116 L 7.69 3.92 0.00 1.93 1.72 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.21 4.24 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.26 4.44 0.00 2.99 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.84 3.80 2.02 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 1.78 0.73 1.00 0.00 0.00 120 K 7.95 4.25 0.00 2.13 1.95 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.58 7.81 121 Q 8.72 4.16 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 122 G 8.18 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.85 3.98 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.61 4.36 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 125 Q 7.90 4.45 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 126 H 7.71 4.57 0.00 3.17 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.73 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.76 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 0.00 129 L 7.05 4.70 0.00 1.69 1.63 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.13 4.17 0.00 1.90 1.92 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 131 P 0.00 4.52 0.00 2.09 2.09 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 132 F 8.52 4.36 0.00 2.85 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 0.00 133 G 9.01 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 0.00 134 V 7.28 4.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.84 0.00 0.00 135 S 8.47 4.63 0.00 3.68 3.61 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 0.00 136 F 8.73 5.33 0.00 2.51 1.85 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 0.00 137 I 8.42 4.48 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 1.26 0.77 0.95 0.00 0.00 138 Y 8.88 5.00 0.00 2.76 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 0.00 139 A 9.34 4.71 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 0.00 140 G 8.54 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.87 4.98 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.47 4.57 0.00 2.57 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 0.00 143 D 8.35 4.57 0.00 2.80 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 0.00 144 R 8.66 4.08 0.00 1.62 1.81 0.00 3.23 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00