NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3220 8.2644 123.5821 51.7491 20.4179 177.4437 3 R 3.7933 8.1371 120.5194 59.5810 29.9222 176.1167 4 R 4.0478 8.4650 118.2491 58.4029 31.8506 177.1487 5 R 4.6024 7.3828 119.3747 55.2606 32.5127 175.7840 6 R 4.3119 8.0624 114.2672 62.2761 30.4651 178.3022 7 A 3.5410 7.5461 116.1665 52.0427 16.4202 177.2783 8 E 4.1753 8.4809 124.7028 56.4034 30.4021 176.5738 9 V 4.0803 7.9508 120.1915 61.0226 32.2138 175.6481 10 R 3.8699 8.6702 126.4383 57.0782 30.2015 176.1803 11 Q 4.4775 8.4747 121.9028 54.7857 30.1370 175.1489 12 L 4.8553 7.9507 119.8537 52.4879 45.3176 176.4878 13 Q 4.0255 8.5655 120.4474 55.0835 28.8477 174.8580 14 P 4.3858 0.0000 0.0000 62.2996 31.5969 175.0713 15 D 4.4693 8.3582 117.4329 54.3222 41.2836 176.8751 16 L 4.2550 8.7712 125.6105 56.5127 42.0354 177.0161 17 V 4.1656 8.1963 115.5574 64.5567 33.4595 175.8782 18 Y 4.2018 11.3245 115.6116 57.6068 38.3135 176.6539 19 G 4.7125 8.2394 107.1101 46.0597 0.0000 172.4728 20 D 4.9767 7.3847 116.5818 51.7751 43.3968 177.1426 21 V 3.6288 8.6054 120.1085 64.6377 31.6096 178.1373 22 L 4.0363 8.6048 120.3518 58.4153 42.0012 179.1481 23 V 3.1215 7.7734 116.8615 65.1075 31.2767 177.9732 24 T 3.7300 8.3359 115.9823 66.5460 68.6413 176.3510 25 A 3.9730 7.9115 122.2261 55.3608 18.3541 179.2431 26 F 3.9737 8.5900 119.0175 61.5290 39.4706 177.0556 27 I 3.4869 7.2520 118.9807 64.5645 36.6588 177.8003 28 N 4.1943 8.4034 116.0135 56.5881 38.5435 177.1683 29 K 3.8668 7.5266 117.9262 59.6628 32.1207 179.1042 30 I 3.7211 7.1126 119.3564 63.1720 37.5259 176.6905 31 M 4.1212 7.5526 119.1372 55.6248 32.6140 175.5762 32 R 4.5279 7.9033 120.5216 55.8479 32.3971 174.3362 33 D 4.3717 8.9451 121.3336 56.4798 37.7005 173.7873 34 G 4.0035 8.0463 102.5883 46.9574 0.0000 175.0339 35 K 4.4689 7.4772 114.8919 54.6244 31.7359 177.9409 36 K 3.9459 7.7574 119.0394 58.8216 32.5215 175.8764 37 N 4.5592 8.3112 116.5729 55.8772 38.6189 175.9777 38 L 3.3758 7.9016 121.4324 58.2900 42.1330 179.2805 39 A 4.0245 7.9193 119.8693 54.7905 18.6108 178.8298 40 A 3.7738 7.5352 117.8025 56.0073 18.7575 178.9077 41 R 3.7669 9.5846 115.9031 59.5202 29.6651 179.1035 42 I 3.6223 7.2711 118.2695 65.0003 37.6741 177.0666 43 F 3.9788 8.3271 121.4794 61.8680 38.9639 176.9218 44 Y 4.4225 7.7476 114.3151 61.8599 38.1955 177.9373 45 D 4.4096 8.4545 118.4666 57.9518 40.8134 178.6908 46 A 4.0462 8.5636 121.4050 55.4060 18.2068 178.9991 47 C 3.9112 7.8630 116.3033 60.9313 31.5279 174.6662 48 K 4.6158 8.4803 120.0522 56.3660 32.8225 176.6843 49 I 4.3898 7.1940 121.1871 61.8769 39.3751 177.4629 50 I 3.9073 7.6368 120.9039 64.1651 37.4893 178.2185 51 Q 4.1461 8.0569 119.3428 59.1163 28.7680 177.7568 52 E 4.0936 8.0934 113.4320 57.4877 29.3138 177.2817 53 K 4.6676 8.2537 113.4624 56.5372 34.7510 175.9414 54 T 4.3433 7.3772 112.2246 62.8406 72.6559 174.6308 55 G 3.5390 8.7424 113.3132 47.1598 0.0000 173.9985 56 Q 4.2171 7.3146 119.5385 55.0791 29.4779 176.4258 57 E 4.0815 8.8713 122.0354 55.8945 30.6748 175.8740 58 P 4.3030 0.0000 0.0000 67.0474 31.1630 177.2834 59 L 3.7783 8.7922 118.5171 57.7632 41.7749 178.5638 60 K 4.0124 8.1241 118.2250 59.8858 32.5468 178.6888 61 V 3.5384 7.7391 118.5238 65.8092 31.4482 177.3124 62 F 4.0301 8.2226 120.0396 61.7510 39.0966 177.2815 63 K 3.5730 8.6399 118.0010 59.5469 31.5867 179.1289 64 Q 3.8398 7.6952 118.5959 59.0481 29.5235 177.2529 65 A 4.1408 8.4090 122.1628 55.7491 18.2547 179.1969 66 V 3.3458 7.8241 116.8274 65.6379 31.3031 177.6012 67 E 3.7914 7.7021 120.5873 58.8828 30.0221 178.2241 68 N 4.6965 8.1064 115.5750 55.2511 39.4546 176.6942 69 V 4.0595 7.5438 116.8223 63.0006 31.7446 175.9907 70 K 4.1862 7.2119 117.9910 56.2562 31.9753 174.8645 71 P 4.6292 0.0000 0.0000 62.6231 32.1379 176.6284 72 R 4.2877 9.2933 121.9400 58.0005 30.7048 176.4449 73 M 5.0889 7.6920 115.0939 53.8229 36.4690 173.9556 74 E 4.7482 8.7738 118.1452 55.4996 34.1687 173.7257 75 V 4.7519 8.2066 118.4282 61.3311 34.0984 174.7155 76 R 4.4975 8.4867 127.8142 55.1452 31.7038 177.0704 77 S 4.8130 8.8899 118.3951 58.9660 63.6994 171.9603 78 R 4.3196 7.5565 120.6733 56.4550 34.3864 172.9408 79 R 5.3096 8.1267 118.8198 53.2334 33.7873 175.4135 80 V 3.8798 7.2575 122.5262 61.6459 33.7052 176.4984 81 G 3.8586 9.4616 114.1327 45.4143 0.0000 172.8283 82 G 3.7744 6.9184 108.8680 45.0696 0.0000 173.5606 83 A 4.4241 7.4057 120.5189 49.6402 22.5829 176.2847 84 N 5.5640 8.1405 118.7057 51.7409 36.9142 174.3862 85 Y 4.6430 7.2298 120.5190 57.7018 40.4616 174.7712 86 Q 4.8947 8.8909 119.7924 54.2858 30.5702 175.5152 87 V 4.1850 8.6495 125.9333 61.7105 32.8770 173.2466 88 P 4.9553 0.0000 0.0000 62.7928 31.8834 175.3531 89 M 4.8252 8.9191 121.6726 52.8437 35.1456 174.4933 90 E 4.3602 8.7726 119.5416 56.8661 30.6527 176.5779 91 V 4.2590 7.9181 119.0654 60.6120 34.3096 174.8916 92 S 4.0361 8.7886 121.0228 58.3541 62.4211 173.0162 93 P 4.4386 0.0000 0.0000 66.2799 30.7895 178.0143 94 R 4.0000 8.0381 118.7509 58.9487 30.0577 177.8768 95 R 3.8081 7.9528 117.8379 59.7486 29.8060 177.9807 96 Q 3.8840 8.5504 117.8708 59.1838 28.6919 178.7780 97 Q 3.8878 8.0248 119.3931 59.5228 29.0391 178.3628 98 S 4.0344 7.6567 115.4519 61.8924 62.8363 177.1279 99 L 3.1714 7.8719 121.1138 57.3001 41.1565 179.0727 100 A 4.3837 7.8586 120.9140 55.3431 18.2817 179.2827 101 L 4.1057 8.1180 117.2061 58.2487 41.8372 179.6639 102 R 3.7968 7.8032 118.0271 59.5091 29.9342 178.1694 103 W 4.7318 8.6980 119.4042 60.5106 29.0369 178.0468 104 L 4.1424 8.6824 118.8946 57.9119 41.1292 179.3659 105 V 3.5335 7.9886 117.2664 66.5218 31.2070 178.4162 106 Q 3.9578 8.0329 116.0223 59.0782 28.9969 178.0938 107 A 4.1461 8.5097 121.8326 55.2508 18.3554 179.2477 108 A 4.0434 8.8219 119.7422 55.6214 18.3215 179.2719 109 N 4.5176 7.9820 110.0398 54.6024 38.4243 176.6210 110 Q 4.3499 7.8591 120.5645 56.5080 29.4660 176.0334 111 R 4.2358 7.8169 119.2764 55.3928 30.8427 174.6496 112 P 4.4818 0.0000 0.0000 64.7473 32.0226 176.7597 113 E 3.9170 8.2293 115.2309 56.7918 29.5918 177.2158 114 R 3.9377 8.6238 121.7713 59.4124 30.5383 177.4044 115 R 3.9281 7.9257 119.7589 56.0145 30.0173 176.8171 116 A 3.9147 8.9050 126.4751 55.7702 18.8164 179.0600 117 A 3.9440 8.1492 116.2166 55.3406 18.2818 179.4518 118 V 3.3962 7.4643 116.6225 66.4720 31.3961 177.9767 119 R 4.3043 8.0377 117.4851 59.6576 29.9259 178.7655 120 I 3.8083 7.8816 118.1905 64.6077 36.9905 177.6837 121 A 3.9566 7.9830 120.1340 56.7330 18.4191 178.7872 122 H 4.1843 9.6386 115.7557 57.4041 28.5620 177.8292 123 E 3.8549 8.8403 121.5692 59.6184 30.1288 179.3436 124 L 3.9567 8.3722 119.3735 58.4067 41.7253 179.1628 125 M 4.0051 8.2531 117.9901 58.8706 31.9774 178.3859 126 D 4.3722 8.2584 117.8120 57.5473 40.7793 178.6532 127 A 4.1206 8.2362 119.5649 55.7370 18.4338 178.8332 128 A 3.9240 7.9840 117.3936 55.7025 18.3939 179.0516 129 E 4.1470 8.5266 116.6677 59.6196 29.9217 178.1614 130 G 3.8534 7.0967 113.8299 45.1816 0.0000 171.7878 131 K 4.5740 7.4894 119.4130 54.1000 36.0567 175.1876 132 G 4.1423 9.1776 105.6692 44.2840 0.0000 175.0655 133 G 4.0285 9.0741 107.8598 47.7990 0.0000 176.0235 134 A 3.8964 8.2330 122.4909 55.0933 18.4536 179.6537 135 V 3.4584 7.8072 116.2276 66.8706 31.4690 176.9855 136 K 3.5336 8.5745 116.3616 59.9493 31.6826 177.9547 137 K 3.9550 7.8117 118.5152 58.7005 32.5839 178.7354 138 K 3.3595 7.4989 119.5081 59.6461 31.8214 178.4979 139 E 3.9231 8.6068 118.1824 59.3517 29.5052 178.6844 140 D 4.4378 8.5714 119.9091 57.8446 40.8557 178.5217 141 V 3.5116 8.3331 118.6562 66.6130 31.5396 177.5518 142 E 3.9094 8.3631 117.5987 59.7191 29.1764 180.1515 143 R 3.9603 7.6908 117.1522 59.6061 30.3143 178.3960 144 M 4.1570 8.2016 118.4513 58.9965 32.2556 177.0456 145 A 4.3218 7.8930 119.0424 52.6071 21.1487 177.2430 146 E 3.8724 8.5082 116.4737 57.2581 27.4048 176.2249 147 A 4.4481 8.1050 122.1831 53.4662 21.8006 177.8214 148 N 4.6798 7.8112 111.7652 53.0079 38.8676 177.0169 149 R 3.7771 8.1941 121.3542 59.5888 30.2146 177.5106 150 A 4.0543 7.8353 119.4387 55.4748 18.4366 179.1653 151 Y 4.7264 7.3106 112.8118 58.3614 37.8347 177.8100 152 A 4.2447 8.2578 124.2749 55.4281 19.1920 180.3124 153 H 4.0898 8.3378 109.5251 58.7087 28.3079 175.1510 154 Y 4.7244 8.1354 116.3026 60.1730 39.0713 177.6797 155 R 3.1395 8.6931 115.5539 54.2617 31.6780 176.1118 156 W 4.0333 9.4928 135.0000 58.7701 31.6976 172.5662 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 2 A 8.26 4.32 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 3 R 8.14 3.79 0.00 1.86 1.97 0.00 3.23 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 4 R 8.47 4.05 0.00 1.81 1.88 0.00 3.27 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 5 R 7.38 4.60 0.00 1.83 1.88 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 6 R 8.06 4.31 0.00 1.71 1.82 0.00 3.25 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 7 A 7.55 3.54 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 8 E 8.48 4.18 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 9 V 7.95 4.08 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 0.80 0.00 0.00 0.92 0.00 0.00 10 R 8.67 3.87 0.00 1.82 1.89 0.00 3.24 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 11 Q 8.47 4.48 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 12 L 7.95 4.86 0.00 1.55 1.51 0.92 0.92 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 13 Q 8.57 4.03 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 14 P 0.00 4.39 0.00 2.22 2.15 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 15 D 8.36 4.47 0.00 3.09 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 16 L 8.77 4.25 0.00 1.81 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.20 4.17 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 0.51 0.00 0.00 0.46 0.00 0.00 18 Y 11.32 4.20 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.24 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 20 D 7.38 4.98 0.00 2.83 2.54 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 21 V 8.61 3.63 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 0.77 0.00 0.00 0.95 0.00 0.00 22 L 8.60 4.04 0.00 1.80 1.99 1.00 0.78 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 23 V 7.77 3.12 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 0.11 0.00 0.00 0.49 0.00 0.00 24 T 8.34 3.73 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 25 A 7.91 3.97 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 26 F 8.59 3.97 0.00 3.18 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 27 I 7.25 3.49 1.83 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.03 0.80 0.00 0.00 28 N 8.40 4.19 0.00 2.74 2.83 0.00 0.00 7.10 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.53 3.87 0.00 1.66 1.70 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.56 7.81 30 I 7.11 3.72 1.91 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 1.03 0.08 0.87 0.00 0.00 31 M 7.55 4.12 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 32 R 7.90 4.53 0.00 1.87 1.80 0.00 3.17 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 33 D 8.95 4.37 0.00 2.86 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 34 G 8.05 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 0.00 0.00 0.00 35 K 7.48 4.47 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.57 7.81 36 K 7.76 3.95 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 37 N 8.31 4.56 0.00 2.82 2.71 0.00 0.00 6.72 5.98 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 38 L 7.90 3.38 0.00 1.80 1.84 0.93 1.05 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 39 A 7.92 4.02 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 40 A 7.54 3.77 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 41 R 9.58 3.77 0.00 1.92 1.99 0.00 3.17 0.00 0.00 3.20 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 42 I 7.27 3.62 2.06 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 1.41 1.14 0.98 0.00 0.00 43 F 8.33 3.98 0.00 3.11 2.93 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 44 Y 7.75 4.42 0.00 3.37 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 45 D 8.45 4.41 0.00 2.79 2.70 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 46 A 8.56 4.05 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 47 C 7.86 3.91 0.00 2.01 2.96 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 0.00 0.00 0.00 48 K 8.48 4.62 0.00 1.78 1.78 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.68 7.81 49 I 7.19 4.39 1.99 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 1.28 0.73 0.89 0.00 0.00 50 I 7.64 3.91 1.87 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 1.39 1.29 0.93 0.00 0.00 51 Q 8.06 4.15 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 52 E 8.09 4.09 0.00 1.93 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 2.30 2.34 0.00 53 K 8.25 4.67 0.00 1.82 1.74 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.47 7.81 54 T 7.38 4.34 4.44 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 1.28 0.00 0.00 55 G 8.74 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 56 Q 7.31 4.22 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 57 E 8.87 4.08 0.00 2.08 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 2.43 2.40 0.00 58 P 0.00 4.30 0.00 2.33 2.62 0.00 3.83 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 2.48 2.28 0.00 59 L 8.79 3.78 0.00 2.33 1.88 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.12 4.01 0.00 1.92 2.02 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.58 7.81 61 V 7.74 3.54 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 0.96 0.00 0.00 1.14 0.00 0.00 62 F 8.22 4.03 0.00 3.11 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 63 K 8.64 3.57 0.00 2.00 1.87 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.75 7.81 64 Q 7.70 3.84 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 65 A 8.41 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.82 3.35 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 0.92 0.00 0.00 0.17 0.00 0.00 67 E 7.70 3.79 0.00 1.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 68 N 8.11 4.70 0.00 2.91 2.82 0.00 0.00 6.48 7.55 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 69 V 7.54 4.06 2.23 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 1.17 0.00 0.00 1.03 0.00 0.00 70 K 7.21 4.19 0.00 1.94 1.79 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.57 7.81 71 P 0.00 4.63 0.00 2.42 2.65 0.00 3.82 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 72 R 9.29 4.29 0.00 1.95 2.03 0.00 3.11 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 73 M 7.69 5.09 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 74 E 8.77 4.75 0.00 2.11 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 2.17 2.26 0.00 75 V 8.21 4.75 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 1.01 0.00 0.00 0.97 0.00 0.00 76 R 8.49 4.50 0.00 1.76 2.08 0.00 3.02 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 77 S 8.89 4.81 0.00 3.96 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 78 R 7.56 4.32 0.00 2.13 1.82 0.00 3.21 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.03 0.00 79 R 8.13 5.31 0.00 1.47 1.54 0.00 3.13 0.00 0.00 3.65 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 0.00 80 V 7.26 3.88 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 0.97 0.00 0.00 -0.22 0.00 0.00 81 G 9.46 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 82 G 6.92 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.41 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.14 5.56 0.00 2.56 2.76 0.00 0.00 7.33 7.46 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 85 Y 7.23 4.64 0.00 2.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.89 4.89 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 87 V 8.65 4.18 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 1.14 0.00 0.00 1.40 0.00 0.00 88 P 0.00 4.96 0.00 2.13 2.10 0.00 4.12 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 89 M 8.92 4.83 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.43 0.00 90 E 8.77 4.36 0.00 1.81 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 2.27 2.25 0.00 91 V 7.92 4.26 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 0.77 0.00 0.00 0.98 0.00 0.00 92 S 8.79 4.04 0.00 3.86 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 93 P 0.00 4.44 0.00 2.24 2.19 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 94 R 8.04 4.00 0.00 1.95 1.90 0.00 3.14 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 95 R 7.95 3.81 0.00 1.86 2.00 0.00 3.21 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 96 Q 8.55 3.88 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.52 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 97 Q 8.02 3.89 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 98 S 7.66 4.03 0.00 3.96 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 99 L 7.87 3.17 0.00 1.01 0.13 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.86 4.38 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 0.00 101 L 8.12 4.11 0.00 1.78 1.85 1.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.80 3.80 0.00 1.82 1.86 0.00 2.99 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 103 W 8.70 4.73 0.00 3.71 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 0.00 104 L 8.68 4.14 0.00 2.28 2.07 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.99 3.53 2.14 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 0.95 0.00 0.00 0.49 0.00 0.00 106 Q 8.03 3.96 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 107 A 8.51 4.15 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 0.00 108 A 8.82 4.04 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 0.00 109 N 7.98 4.52 0.00 2.74 2.88 0.00 0.00 7.15 7.63 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 0.00 110 Q 7.86 4.35 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 111 R 7.82 4.24 0.00 1.96 2.17 0.00 3.21 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 112 P 0.00 4.48 0.00 2.19 2.18 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 113 E 8.23 3.92 0.00 2.10 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 2.33 2.43 0.00 114 R 8.62 3.94 0.00 1.83 2.03 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 115 R 7.93 3.93 0.00 1.87 1.89 0.00 3.16 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 116 A 8.91 3.91 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 0.00 117 A 8.15 3.94 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 0.00 118 V 7.46 3.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 119 R 8.04 4.30 0.00 2.05 2.19 0.00 3.47 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 120 I 7.88 3.81 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.80 1.23 0.00 0.00 121 A 7.98 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 0.00 122 H 9.64 4.18 0.00 3.30 3.20 0.00 5.68 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 0.00 123 E 8.84 3.85 0.00 2.17 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 2.41 2.54 0.00 124 L 8.37 3.96 0.00 2.10 1.74 0.92 0.86 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 0.00 125 M 8.25 4.01 0.00 2.07 2.25 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 2.94 2.63 0.00 126 D 8.26 4.37 0.00 2.96 2.93 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 0.00 127 A 8.24 4.12 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 0.00 128 A 7.98 3.92 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 0.00 129 E 8.53 4.15 0.00 2.06 2.05 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 2.36 2.50 0.00 130 G 7.10 3.85 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 0.00 0.00 0.00 131 K 7.49 4.57 0.00 1.80 1.77 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.33 7.81 132 G 9.18 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 0.00 0.00 0.00 133 G 9.07 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 A 8.23 3.90 1.47 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 0.00 135 V 7.81 3.46 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 1.03 0.00 0.00 0.99 0.00 0.00 136 K 8.57 3.53 0.00 1.73 1.75 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.70 1.46 7.81 137 K 7.81 3.95 0.00 0.97 1.02 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.38 7.81 138 K 7.50 3.36 0.00 1.72 1.89 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.27 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.63 1.86 7.81 139 E 8.61 3.92 0.00 1.95 1.95 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 2.30 2.45 0.00 140 D 8.57 4.44 0.00 2.58 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 0.00 141 V 8.33 3.51 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 1.29 0.00 0.00 0.93 0.00 0.00 142 E 8.36 3.91 0.00 2.22 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 2.37 2.55 0.00 143 R 7.69 3.96 0.00 2.01 1.97 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 144 M 8.20 4.16 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.87 0.00 145 A 7.89 4.32 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 0.00 146 E 8.51 3.87 0.00 2.03 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 2.24 2.22 0.00 147 A 8.10 4.45 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 0.00 148 N 7.81 4.68 0.00 2.81 2.87 0.00 0.00 6.63 7.52 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 0.00 149 R 8.19 3.78 0.00 1.67 1.92 0.00 3.37 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 150 A 7.84 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.31 4.73 0.00 3.24 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 0.00 152 A 8.26 4.24 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 0.00 153 H 8.34 4.09 0.00 3.21 3.37 0.00 5.53 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 0.00 154 Y 8.14 4.72 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.69 3.14 0.00 1.98 1.58 0.00 3.51 0.00 0.00 3.18 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 156 W 9.49 4.03 0.00 3.36 3.44 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