NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4127 8.2893 120.3486 55.3516 33.0235 174.7170 2 N 4.6442 8.5837 124.1379 51.4960 38.8756 173.0117 3 I 4.5896 8.8041 121.2228 59.5849 41.9060 176.3933 4 I 4.3522 8.3106 123.7498 59.6660 38.3551 175.1168 5 K 4.4363 8.5881 124.8416 54.3864 33.9480 176.3480 6 A 4.5762 8.3815 126.4561 50.7555 20.9773 174.9728 7 N 5.0733 8.2064 116.9643 51.9279 41.4422 174.9329 8 V 3.8285 8.2128 114.8343 62.8712 32.2664 176.7679 9 A 4.2858 8.0800 123.5161 52.0410 18.7610 177.8432 10 A 4.6012 8.1660 121.2481 51.3564 21.4705 174.1123 11 P 4.6939 0.0000 0.0000 64.6863 32.2400 178.6935 12 D 4.7677 8.0633 116.1577 54.2221 40.5954 175.7884 13 A 4.6292 7.5856 124.9613 51.8795 20.1838 178.3430 14 R 4.8414 9.5919 120.9203 55.0929 32.6628 175.7225 15 V 4.9332 8.9692 124.4470 59.9967 34.8003 173.9350 16 A 4.8478 8.4992 128.5530 50.0714 21.5426 175.1965 17 I 4.7614 8.7406 123.7673 59.5852 39.5080 174.6829 18 T 4.7504 8.6615 118.0648 60.0100 70.7566 173.4790 19 I 5.1204 8.2838 126.5272 58.1954 40.4869 174.5210 20 A 5.0117 8.4410 128.1468 51.3568 18.9770 177.9503 21 R 4.4429 9.3352 119.9193 58.5342 30.2225 176.9861 22 F 4.5771 8.2188 121.3541 59.9703 39.6503 174.3359 23 N 4.6863 9.8855 123.9894 54.5093 35.5874 176.1376 24 Q 4.1625 8.3289 120.3621 59.4197 28.0752 177.9080 25 F 4.0139 8.5196 121.5590 61.0810 39.4098 176.3343 26 I 4.2242 8.2817 118.7128 63.6491 37.6952 177.7135 27 N 4.3621 8.2882 116.6428 56.3283 38.2644 176.9623 28 D 4.5564 8.7110 120.7227 57.6225 40.9961 178.7872 29 S 4.0756 7.9751 112.9908 61.0382 62.4103 175.4922 30 L 4.0500 7.7904 123.2450 58.6021 41.6768 178.3176 31 L 3.8449 8.5016 120.5736 57.7444 41.9776 178.6574 32 D 4.5032 8.4405 118.5898 57.3011 40.9060 179.7766 33 G 3.5962 8.1186 105.8204 47.7751 0.0000 175.2979 34 A 3.9351 7.8223 123.3304 54.7470 18.4705 179.3289 35 V 3.4487 7.9400 116.6700 66.3167 31.5593 177.2512 36 D 4.3204 8.1685 117.1356 57.8656 41.0035 177.9055 37 A 3.8757 8.2879 120.6852 55.8049 18.4089 179.0497 38 L 3.8782 8.5229 116.4771 59.2061 41.8850 179.8195 39 T 4.2117 8.2482 110.9680 63.9470 68.5605 176.2066 40 R 3.8485 8.1310 123.8757 58.3951 30.6543 178.1244 41 I 4.0408 7.9324 116.9923 63.6479 37.7452 177.1279 42 G 3.7981 7.9657 106.5730 45.1874 0.0000 174.1554 43 Q 3.8212 8.2611 117.6255 56.3560 26.8508 173.3539 44 V 3.8048 7.4714 118.7518 62.4608 32.2186 175.2244 45 K 4.2720 8.5680 128.7567 56.2044 32.5583 176.5909 46 D 4.7718 8.8077 124.4978 53.9642 39.1244 176.1958 47 D 4.8095 7.9828 117.0460 53.7567 40.1061 176.2909 48 N 4.7066 8.6707 117.6748 53.6938 39.3196 174.0997 49 I 4.8680 7.5909 120.2602 60.2392 38.4059 175.1814 50 T 4.7281 8.8460 117.4214 59.7033 71.9315 173.0589 51 V 4.6145 8.3863 123.2933 61.0706 34.2812 174.5524 52 V 4.3245 8.9098 128.3687 60.7922 33.7657 174.4391 53 W 4.9217 9.0133 129.0600 56.5580 29.6242 176.4672 54 V 4.3598 8.7896 119.2780 59.0062 33.6470 174.5432 55 P 4.3012 0.0000 0.0000 65.1592 31.1694 176.9243 56 G 4.5076 7.9612 108.1307 42.7794 0.0000 174.0797 57 A 4.0472 8.4893 120.6720 54.8876 18.0792 179.2692 58 Y 4.1927 8.1705 117.1223 60.7441 39.2384 177.4839 59 E 4.1193 8.1809 119.0082 57.8464 29.6130 178.4722 60 L 3.9139 7.5885 119.9627 58.1972 41.6321 177.0077 61 P 4.1590 0.0000 0.0000 65.0198 31.1072 177.9800 62 L 3.9135 7.7038 117.8715 58.4573 42.3561 179.3562 63 A 3.9789 7.8215 120.1169 55.5732 18.3463 179.8202 64 T 3.8470 8.1997 108.5306 64.5067 68.7440 176.2238 65 E 3.8438 8.9558 123.0513 59.1818 29.6088 178.2631 66 A 4.0084 8.0496 120.5977 55.6092 18.1935 179.4882 67 L 4.0788 7.5900 114.8497 58.0143 41.9291 179.5628 68 A 4.2198 8.2777 120.6290 55.2092 18.2148 179.8430 69 K 3.8933 8.2110 116.1373 59.6072 32.1293 178.9707 70 S 4.1969 8.1533 113.0260 59.4557 62.0032 175.9311 71 G 3.9503 8.6168 110.4524 46.3486 0.0000 176.1380 72 K 3.9079 7.7353 120.5537 56.3674 31.8398 182.1869 73 Y 5.1199 6.9244 114.0689 56.8033 40.5419 175.4734 74 D 4.7342 9.1840 122.0702 56.0517 41.8752 176.4183 75 A 4.5569 7.4067 117.3410 51.1858 22.5766 175.0882 76 V 4.7474 8.2341 119.8332 61.0287 34.5763 174.5452 77 V 4.2865 8.7175 128.3962 61.7189 33.3165 174.2381 78 A 4.9435 8.6030 130.2777 49.7347 20.8427 175.2326 79 L 5.3580 8.0744 123.2230 52.7137 44.4191 176.3952 80 G 4.2621 7.7264 108.4183 45.9392 0.0000 171.8604 81 T 5.0951 8.5519 116.1408 61.5055 71.9427 174.3745 82 V 4.2237 9.0188 124.9448 61.3894 34.2287 173.9135 83 I 4.7059 8.2118 128.7827 59.6272 38.6826 175.9738 84 R 3.6700 8.4084 127.7491 56.5227 30.2800 176.3260 85 G 4.4299 8.3486 116.1681 44.3257 0.0000 172.9322 86 G 3.6453 8.7839 107.6934 47.4483 0.0000 173.3252 87 T 4.5323 7.5812 108.3162 59.6462 71.5055 173.5507 88 A 4.4424 8.3811 121.2852 52.7864 18.6938 178.6670 89 H 4.2811 8.3296 119.8771 60.2270 29.7921 176.8839 90 F 4.0249 8.4848 121.9333 61.5308 39.0091 176.6237 91 E 3.5844 7.9755 118.4422 59.5412 29.3708 178.4236 92 Y 4.3143 7.3825 115.9332 60.8634 38.2398 177.4789 93 V 3.6865 7.7277 119.4533 65.7457 31.5721 177.7040 94 A 4.0748 7.8534 120.0968 55.3667 18.1205 179.6166 95 G 3.6188 8.1712 104.5465 47.7377 0.0000 176.0344 96 G 3.8718 8.6816 108.3719 45.8825 0.0000 174.8434 97 A 4.2503 7.8350 122.6322 54.4202 19.6074 179.1552 98 S 4.1274 8.2260 111.7978 61.8473 62.3580 176.2641 99 N 4.4260 8.4439 119.3029 55.9999 38.3249 177.3587 100 G 3.7379 7.7326 106.8524 48.0683 0.0000 175.4319 101 L 3.9924 8.0801 121.5904 57.2928 41.8854 179.6389 102 A 3.9989 8.0892 120.5189 55.0695 18.2175 179.6056 103 S 3.9533 8.4033 111.9066 61.5036 62.4696 176.1339 104 V 3.5333 7.7573 120.7516 66.2712 31.1938 177.6518 105 A 4.3327 7.8105 121.0790 54.7963 18.0033 179.4237 106 Q 3.9314 7.6479 116.1222 59.1949 29.1363 177.9007 107 D 4.5157 8.0477 119.4546 57.1397 41.2512 178.5298 108 S 4.3419 8.3289 112.6957 58.7016 63.4323 175.5162 109 G 3.8886 8.0023 109.3701 45.8275 0.0000 173.7937 110 V 3.9683 7.4994 121.0074 61.6409 33.0631 173.6000 111 P 4.5109 0.0000 0.0000 62.6299 32.5188 175.1540 112 V 4.9078 8.3925 123.5433 61.0247 33.9936 174.2556 113 A 4.4292 8.8565 130.3598 50.9953 20.3467 176.3096 114 F 4.7941 8.9847 126.8184 56.2708 38.2834 175.9326 115 G 3.9175 8.0081 118.0734 44.9492 0.0000 171.0309 116 V 4.5647 6.0993 117.5056 60.5541 33.9491 176.0673 117 L 4.2542 8.7784 129.4820 55.1590 42.7706 176.6387 118 T 5.0726 8.7441 112.6978 58.7828 68.9852 172.6599 119 T 4.5892 8.1828 120.9851 61.0485 72.0283 175.0076 120 E 4.1493 9.8135 120.6756 57.1929 30.6373 177.2931 121 S 4.7116 7.5990 112.0170 55.5600 67.6133 174.7622 122 I 3.6912 8.2551 123.3543 64.3429 36.5926 177.9886 123 E 3.9069 8.1799 118.9787 59.6911 29.7885 178.5976 124 Q 4.2811 8.0724 117.4155 58.8861 28.9187 178.5259 125 A 4.0273 7.8018 121.4110 55.5164 18.1648 179.7675 126 I 3.7691 7.8746 118.0622 64.6105 37.1081 178.5567 127 E 4.5505 8.0902 120.4406 58.1166 29.2813 178.4285 128 R 4.5133 7.8456 115.2717 55.6594 30.4211 176.7185 129 A 4.7918 7.2050 121.5963 52.6970 19.4538 177.1853 130 G 4.4565 8.0245 108.1701 48.0561 0.0000 175.4577 131 T 4.6422 7.5208 115.1356 60.1393 68.6749 175.6736 132 K 3.7840 9.2629 117.0495 59.2813 31.7415 177.7493 133 A 4.5924 7.8147 119.4705 51.9821 20.0568 178.8399 134 G 3.7225 8.0922 110.5323 47.3565 0.0000 173.8800 135 N 5.1910 8.2655 118.7218 51.0338 41.2318 175.6592 136 K 4.0211 8.9137 129.2609 59.2145 32.0144 179.1306 137 G 4.0960 8.2221 107.3432 47.3495 0.0000 175.4911 138 A 4.0346 7.8905 123.2009 54.4220 18.4372 179.2287 139 E 3.8745 8.4442 117.9468 59.3144 29.7136 178.9271 140 A 4.0614 8.6516 122.4309 54.3366 18.4048 179.3725 141 A 3.8945 8.2471 119.6508 55.2816 18.3734 179.9002 142 L 3.8901 8.0203 117.5677 58.2700 41.5027 179.8745 143 T 3.8438 8.1033 109.3631 64.5981 68.3803 176.1816 144 A 3.9967 7.8742 123.7112 55.0857 18.4402 179.2098 145 L 3.8914 7.8117 117.2219 58.1063 41.7298 179.1927 146 E 4.0836 8.4507 119.1964 59.9614 29.4646 178.9131 147 M 4.0366 8.0184 118.2398 58.4015 31.9306 178.4238 148 I 3.6779 7.7359 119.9420 64.8710 37.2772 178.1445 149 N 4.3238 7.9810 116.4054 56.2044 38.1536 177.5154 150 V 3.5816 7.8802 119.0030 66.1516 31.8140 177.9033 151 L 4.0794 8.4389 118.8211 57.7788 41.3820 179.1654 152 K 3.8643 8.1467 118.5715 59.5536 32.1118 177.0091 153 A 4.4638 8.1505 120.3292 51.7672 19.4078 177.2551 154 I 3.8815 7.7731 120.9307 63.1671 37.7391 173.9552 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.64 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.59 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.31 4.35 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.59 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.58 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 7 N 8.21 5.07 0.00 2.66 2.67 0.00 0.00 6.99 7.71 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 8 V 8.21 3.83 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 0.74 0.00 0.00 0.93 0.00 0.00 9 A 8.08 4.29 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 10 A 8.17 4.60 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 11 P 0.00 4.69 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.06 4.77 0.00 2.69 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 13 A 7.59 4.63 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.59 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.97 4.93 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 0.89 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.85 0.32 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 17 I 8.74 4.76 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.69 0.00 0.00 18 T 8.66 4.75 4.13 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 1.10 0.00 0.00 19 I 8.28 5.12 0.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.07 0.28 0.00 0.00 20 A 8.44 5.01 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 21 R 9.34 4.44 0.00 2.11 2.54 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.22 4.58 0.00 3.16 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 23 N 9.89 4.69 0.00 2.99 3.01 0.00 0.00 6.88 8.21 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 24 Q 8.33 4.16 0.00 2.54 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 25 F 8.52 4.01 0.00 3.14 3.19 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 0.00 0.00 0.00 0.00 26 I 8.28 4.22 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 0.95 0.00 0.00 27 N 8.29 4.36 0.00 2.87 2.90 0.00 0.00 7.08 8.08 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 28 D 8.71 4.56 0.00 2.65 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 29 S 7.98 4.08 0.00 3.81 3.96 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 30 L 7.79 4.05 0.00 1.92 1.62 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.50 3.84 0.00 1.76 1.78 0.77 1.04 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 32 D 8.44 4.50 0.00 2.87 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 33 G 8.12 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 34 A 7.82 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 35 V 7.94 3.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 36 D 8.17 4.32 0.00 2.85 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 37 A 8.29 3.88 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 38 L 8.52 3.88 0.00 1.86 1.73 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.25 4.21 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 1.23 0.00 0.00 40 R 8.13 3.85 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 7.93 4.04 2.09 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 1.23 0.96 0.91 0.00 0.00 42 G 7.97 3.80 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 0.00 0.00 0.00 43 Q 8.26 3.82 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.47 3.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.04 0.00 0.00 45 K 8.57 4.27 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.77 0.00 2.83 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 D 7.98 4.81 0.00 2.78 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 48 N 8.67 4.71 0.00 2.86 3.00 0.00 0.00 6.92 7.21 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 49 I 7.59 4.87 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 1.40 0.53 0.89 0.00 0.00 50 T 8.85 4.73 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 1.51 0.00 0.00 51 V 8.39 4.61 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 0.51 0.00 0.00 0.84 0.00 0.00 52 V 8.91 4.32 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 9.01 4.92 0.00 3.21 3.21 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 54 V 8.79 4.36 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 0.81 0.00 0.00 1.05 0.00 0.00 55 P 0.00 4.30 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.96 4.51 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 0.00 0.00 0.00 57 A 8.49 4.05 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 58 Y 8.17 4.19 0.00 2.92 3.09 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 0.00 59 E 8.18 4.12 0.00 2.00 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 2.64 2.58 0.00 60 L 7.59 3.91 0.00 1.76 1.70 0.89 0.94 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 61 P 0.00 4.16 0.00 2.02 1.86 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 62 L 7.70 3.91 0.00 1.63 1.67 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.82 3.98 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 64 T 8.20 3.85 4.19 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 0.00 0.00 0.00 1.27 0.00 0.00 65 E 8.96 3.84 0.00 1.98 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 0.00 2.31 2.34 0.00 66 A 8.05 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.59 4.08 0.00 1.79 1.69 0.65 0.69 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 68 A 8.28 4.22 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 69 K 8.21 3.89 0.00 1.85 1.91 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.15 4.20 0.00 3.91 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.62 3.95 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 0.00 0.00 0.00 72 K 7.74 3.91 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.92 5.12 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 74 D 9.18 4.73 0.00 2.55 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.41 4.56 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 76 V 8.23 4.75 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 0.94 0.00 0.00 0.85 0.00 0.00 77 V 8.72 4.29 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.60 4.94 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 79 L 8.07 5.36 0.00 1.39 1.40 0.80 0.89 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 80 G 7.73 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.55 5.10 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 1.20 0.00 0.00 82 V 9.02 4.22 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 0.89 0.00 0.00 0.88 0.00 0.00 83 I 8.21 4.71 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.87 0.00 0.00 84 R 8.41 3.67 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 0.00 85 G 8.35 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 86 G 8.78 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 87 T 7.58 4.53 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 1.24 0.00 0.00 88 A 8.38 4.44 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 89 H 8.33 4.28 0.00 3.27 3.41 0.00 5.62 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 90 F 8.48 4.02 0.00 3.11 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 91 E 7.98 3.58 0.00 1.93 1.12 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 2.00 2.17 0.00 92 Y 7.38 4.31 0.00 2.99 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 93 V 7.73 3.69 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 1.05 0.00 0.00 0.72 0.00 0.00 94 A 7.85 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.17 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 96 G 8.68 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.83 4.25 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 98 S 8.23 4.13 0.00 3.70 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 99 N 8.44 4.43 0.00 2.80 2.83 0.00 0.00 6.95 7.35 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 0.00 100 G 7.73 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.99 0.00 2.04 1.82 1.03 0.86 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 0.00 102 A 8.09 4.00 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 0.00 103 S 8.40 3.95 0.00 3.96 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 0.00 104 V 7.76 3.53 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 1.04 0.00 0.00 0.94 0.00 0.00 105 A 7.81 4.33 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 0.00 106 Q 7.65 3.93 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.52 0.00 2.69 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 0.00 108 S 8.33 4.34 0.00 4.02 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 0.00 109 G 8.00 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 0.00 110 V 7.50 3.97 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 0.96 0.00 0.00 0.98 0.00 0.00 111 P 0.00 4.51 0.00 2.12 1.96 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.91 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 0.81 0.00 0.00 0.99 0.00 0.00 113 A 8.86 4.43 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.98 4.79 0.00 3.00 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 0.00 115 G 8.01 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 0.00 116 V 6.10 4.56 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 0.70 0.00 0.00 -0.06 0.00 0.00 117 L 8.78 4.25 0.00 1.61 1.58 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.74 5.07 4.45 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 1.24 0.00 0.00 119 T 8.18 4.59 4.41 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 1.26 0.00 0.00 120 E 9.81 4.15 0.00 1.94 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 2.30 2.30 0.00 121 S 7.60 4.71 0.00 3.94 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 0.00 122 I 8.26 3.69 1.84 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 1.47 0.47 0.87 0.00 0.00 123 E 8.18 3.91 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 124 Q 8.07 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.80 4.03 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 0.00 126 I 7.87 3.77 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.00 0.99 0.00 0.00 127 E 8.09 4.55 0.00 2.29 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 2.34 2.39 0.00 128 R 7.85 4.51 0.00 1.89 1.93 0.00 3.11 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.79 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.02 4.46 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 0.00 131 T 7.52 4.64 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 132 K 9.26 3.78 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.81 4.59 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 0.00 134 G 8.09 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 0.00 135 N 8.27 5.19 0.00 2.69 2.65 0.00 0.00 6.94 7.29 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 0.00 136 K 8.91 4.02 0.00 1.82 1.81 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.46 7.81 137 G 8.22 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 0.00 0.00 0.00 138 A 7.89 4.03 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 0.00 139 E 8.44 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 2.31 2.32 0.00 140 A 8.65 4.06 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 0.00 141 A 8.25 3.89 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 0.00 142 L 8.02 3.89 0.00 2.00 1.72 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.10 3.84 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 144 A 7.87 4.00 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 0.00 145 L 7.81 3.89 0.00 1.86 1.89 0.94 0.87 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 0.00 146 E 8.45 4.08 0.00 2.01 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 2.32 2.38 0.00 147 M 8.02 4.04 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.84 0.00 148 I 7.74 3.68 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 1.68 0.94 0.92 0.00 0.00 149 N 7.98 4.32 0.00 2.94 2.86 0.00 0.00 6.73 8.83 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 0.00 150 V 7.88 3.58 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 0.83 0.00 0.00 0.99 0.00 0.00 151 L 8.44 4.08 0.00 1.92 1.69 0.93 0.76 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 0.00 152 K 8.15 3.86 0.00 1.82 2.10 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.15 4.46 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 0.00 154 I 7.77 3.88 1.87 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 1.16 0.73 0.91 0.00 0.00