NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3150 8.1849 120.6284 54.4147 43.1829 177.1769 3 R 4.0391 8.2713 122.3471 53.1319 32.1957 175.0108 4 P 4.2104 0.0000 0.0000 66.4829 31.1811 178.3235 5 K 3.8605 8.0166 117.0874 59.2526 32.0317 179.0321 6 A 4.4620 7.8550 121.7199 54.5002 18.3084 179.2829 7 L 3.9020 8.3036 119.2513 58.6950 42.1490 179.2484 8 T 3.7991 8.3206 116.1237 66.5240 68.1967 176.0444 9 Q 3.9288 8.1761 121.6190 59.3958 28.8223 178.9713 10 V 3.5691 7.7309 117.6869 66.0285 31.9383 177.5764 11 L 4.1458 8.1473 119.1242 57.8478 41.4760 179.6958 12 S 4.4502 8.7199 116.1287 60.6717 62.6743 175.8245 13 Q 4.1898 7.6448 118.7036 57.2259 28.7421 177.0118 14 A 4.2645 7.6967 122.1199 53.0016 20.3300 177.6459 15 N 4.7274 7.7226 117.4057 52.2511 37.3798 174.0983 16 T 4.5910 7.0015 109.9595 60.4004 72.5397 175.0722 17 G 3.6395 9.6400 108.4633 46.9013 0.0000 174.3627 18 G 4.0099 8.2368 108.8906 45.3330 0.0000 174.8777 19 V 3.9523 7.5825 120.4926 63.1646 32.1147 175.1812 20 Q 4.3391 9.3385 126.1091 57.2016 30.8954 175.9337 21 S 5.0568 7.8632 112.9000 57.1230 68.0597 173.4151 22 T 5.0822 9.0036 119.2021 61.8868 72.0365 172.9963 23 L 5.2839 9.2759 126.0085 52.7567 46.1404 175.1000 24 L 5.2287 8.9682 124.8046 53.2314 44.5922 175.1769 25 L 5.2763 8.8150 125.6224 54.0961 44.7897 175.6867 26 N 4.8821 8.7110 117.9494 51.4641 38.8619 175.8270 27 N 4.3191 8.5453 114.8543 55.8516 38.5256 176.0209 28 E 4.2504 8.3501 115.5285 56.2431 30.0127 176.9186 29 G 3.9144 8.4387 108.0076 45.2378 0.0000 173.7710 30 S 4.3054 8.2773 117.1776 57.6242 63.3622 173.8298 31 L 4.5217 8.4408 125.8593 55.0039 42.0285 176.6602 32 L 4.5610 8.8300 123.1893 56.4881 43.1079 176.6077 33 A 4.7132 7.7574 117.2361 51.7329 22.3821 174.6611 34 Y 5.3748 8.2905 116.5077 56.7007 40.4859 173.5965 35 S 4.2650 9.2004 113.2816 58.2844 66.8283 173.8017 36 G 4.1449 9.9546 106.0974 45.8699 0.0000 171.4489 37 Y 4.8669 7.0771 115.5554 55.1789 40.8587 173.7632 38 G 3.9266 8.0097 105.7984 45.9705 0.0000 171.6446 39 D 4.4563 8.3089 118.2157 56.3616 41.1562 176.8024 40 T 4.4906 7.2474 114.9089 61.1309 70.7499 174.2972 41 D 4.3294 8.4214 124.2687 54.3219 43.0954 177.3232 42 A 3.7233 8.1892 127.2519 55.1821 18.2665 180.3437 43 R 3.8024 8.0849 116.2537 59.1685 30.0470 179.3265 44 V 3.5230 7.3380 118.0484 66.2425 31.5093 178.1395 45 T 3.8126 7.8420 115.2636 66.7450 68.3067 176.4488 46 A 3.9528 8.3702 122.7367 54.8069 18.3360 179.5874 47 A 3.9143 7.9456 119.3709 55.3708 18.5195 179.7629 48 I 3.6323 8.0428 118.4274 64.5647 37.1480 178.4866 49 A 4.0619 8.3428 122.0173 55.2884 18.2238 179.8844 50 S 4.1332 8.1893 112.7857 61.5844 63.0622 176.4878 51 N 4.3684 8.2948 120.1070 56.2035 38.3244 177.5089 52 I 3.7319 7.9727 121.2258 63.9147 37.1936 178.0627 53 W 4.0979 8.5157 129.2483 60.6745 30.5257 177.8049 54 A 4.0856 8.4128 120.2974 55.0271 17.7863 179.5068 55 A 3.8569 8.0073 118.9667 55.3992 18.5439 179.8329 56 A 3.8335 7.9356 119.2887 55.0842 18.1080 179.4263 57 D 3.9079 7.8983 116.4000 57.3783 41.5719 178.3320 58 R 4.0060 8.0074 118.6840 59.1815 30.0576 178.4308 59 N 4.3394 8.1234 117.0050 56.7207 38.9913 177.1276 60 G 3.6421 7.9995 106.8516 47.5720 0.0000 174.9099 61 N 4.5655 7.7353 117.0150 55.2153 38.5901 176.7082 62 Q 4.1098 8.0032 118.8718 56.9501 29.2166 176.4531 63 A 4.1787 7.1429 122.8006 51.9155 19.1655 177.3308 64 F 4.3907 9.0965 123.9499 60.8248 39.5943 175.0330 65 N 4.6844 7.6810 114.5983 49.9766 39.6580 173.5250 66 E 3.9503 8.3975 119.4764 56.7346 29.8570 176.7999 67 D 4.7132 8.1184 125.3024 53.1299 41.9062 173.9167 68 S 4.3608 7.9610 118.2613 56.8768 64.1168 174.1791 69 L 3.9127 8.3169 125.6770 55.5544 42.1659 176.7279 70 K 4.6829 8.3634 124.1612 57.5702 34.2389 176.1405 71 F 4.9624 7.6373 116.4108 57.3943 42.2335 173.3277 72 I 4.8119 8.5849 125.7716 59.5174 40.5209 174.4137 73 L 5.4201 8.6965 125.2273 53.3029 44.8901 175.7299 74 M 4.9224 9.5156 121.3298 53.5745 36.3493 173.8173 75 D 5.2780 8.9610 121.7301 52.9103 43.1116 174.9239 76 C 5.0272 8.8853 122.8859 57.6171 31.9134 174.9691 77 M 4.0373 8.8028 120.3613 58.2841 31.4816 177.6806 78 E 4.5929 8.0018 114.1623 54.9955 30.4439 175.1240 79 G 3.8209 6.8539 107.2178 46.3603 0.0000 172.4218 80 R 5.1651 7.9567 118.7833 54.1768 33.7564 175.6315 81 V 4.9160 8.6913 120.4082 61.1202 35.4391 173.9792 82 A 5.3787 8.9607 128.1180 50.2752 22.2690 175.1316 83 I 4.9318 8.3500 121.1926 59.9405 41.6713 174.5885 84 T 4.4812 8.2708 119.7732 60.9251 71.5050 172.1798 85 R 4.5271 8.1485 122.6049 55.1661 31.4920 177.2802 86 V 4.3294 8.2304 121.4619 60.4058 34.0760 175.9210 87 A 3.5389 9.0680 131.4584 53.6044 17.9887 177.2089 88 N 4.6835 8.8948 115.9343 55.1736 37.5818 174.0304 89 L 4.6809 7.8879 120.0576 53.3962 45.3368 174.7371 90 L 4.8039 8.6626 119.2485 52.9358 44.7813 175.7011 91 L 5.0094 8.6875 124.8426 53.4318 44.6727 174.5767 92 C 5.2400 9.0033 125.6542 57.8401 35.1277 172.2498 93 M 5.2634 8.9438 124.9675 53.6812 35.1976 173.7328 94 Y 5.0088 9.0971 124.6548 55.8401 41.2892 174.2794 95 A 5.2009 8.5557 127.4160 49.4274 23.5359 175.1351 96 K 4.1900 8.6395 118.4512 56.8759 32.7177 178.6310 97 E 3.9786 8.9848 123.1627 58.8163 29.5923 178.1004 98 T 4.1016 7.5814 107.4894 62.4950 69.7029 175.4414 99 V 3.5603 7.5453 123.2042 62.5318 32.0598 176.5542 100 G 3.7214 8.4662 113.4181 44.4843 0.0000 174.4372 101 F 4.5840 8.4550 120.8337 60.4433 39.0019 178.3033 102 G 3.6216 8.1836 104.8108 48.0790 0.0000 175.1989 103 M 4.0200 7.9965 120.5363 58.0982 32.3474 177.8512 104 L 3.9730 8.1477 120.5789 58.0838 42.2367 178.8706 105 K 3.9336 8.3284 119.4385 59.3888 31.9770 178.5955 106 A 3.9418 8.2255 121.2708 55.0735 18.3310 179.7939 107 K 3.9159 8.3334 116.8587 59.5241 32.0686 179.5138 108 A 4.0828 8.2503 121.0279 55.3576 18.4012 179.6966 109 Q 4.0470 8.5692 116.6359 59.0382 28.7836 178.8507 110 A 4.0512 8.3569 122.0956 55.1848 18.3377 179.4818 111 L 3.9861 7.9841 118.7502 58.0618 42.0549 179.1820 112 V 3.6078 8.1037 118.4566 66.1995 30.9500 177.6996 113 Q 4.0141 8.1288 117.5548 59.4177 28.4284 178.4735 114 Y 4.0102 7.8722 118.6511 60.9939 38.8759 178.1136 115 L 4.1742 8.2756 118.7895 57.1570 41.8670 178.2825 116 E 4.3815 8.2416 116.3045 56.2329 29.8499 176.1209 117 E 4.1391 7.5791 122.1503 56.3963 29.9521 176.2174 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 L 8.18 4.32 0.00 1.66 1.70 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.27 4.04 0.00 1.93 1.84 0.00 3.16 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 4 P 0.00 4.21 0.00 2.24 2.34 0.00 3.70 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 2.08 2.09 0.00 5 K 8.02 3.86 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 6 A 7.86 4.46 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 7 L 8.30 3.90 0.00 1.76 1.75 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.32 3.80 4.36 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 1.13 0.00 0.00 9 Q 8.18 3.93 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 10 V 7.73 3.57 2.27 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 0.97 0.00 0.00 1.09 0.00 0.00 11 L 8.15 4.15 0.00 1.85 1.72 0.95 0.76 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 12 S 8.72 4.45 0.00 4.02 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 13 Q 7.64 4.19 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.22 0.00 14 A 7.70 4.26 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 15 N 7.72 4.73 0.00 2.84 2.86 0.00 0.00 6.72 6.84 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 16 T 7.00 4.59 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 17 G 9.64 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 18 G 8.24 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 0.00 0.00 0.00 19 V 7.58 3.95 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 0.86 0.00 0.00 0.94 0.00 0.00 20 Q 9.34 4.34 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.49 0.00 21 S 7.86 5.06 0.00 3.74 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 22 T 9.00 5.08 4.38 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 1.23 0.00 0.00 23 L 9.28 5.28 0.00 1.55 1.52 1.03 0.08 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 24 L 8.97 5.23 0.00 1.72 1.50 0.95 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 25 L 8.81 5.28 0.00 1.73 1.65 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.71 4.88 0.00 2.95 2.99 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.55 4.32 0.00 2.74 2.97 0.00 0.00 6.83 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.35 4.25 0.00 2.09 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 0.00 2.27 2.30 0.00 29 G 8.44 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 30 S 8.28 4.31 0.00 3.91 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 31 L 8.44 4.52 0.00 1.65 1.66 0.76 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.83 4.56 0.00 1.59 1.72 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.76 4.71 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 34 Y 8.29 5.37 0.00 2.94 2.90 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 0.00 0.00 0.00 35 S 9.20 4.26 0.00 3.87 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 36 G 9.95 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 37 Y 7.08 4.87 0.00 3.04 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 38 G 8.01 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 0.00 0.00 0.00 39 D 8.31 4.46 0.00 2.64 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 40 T 7.25 4.49 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 41 D 8.42 4.33 0.00 2.73 2.47 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 42 A 8.19 3.72 0.24 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 43 R 8.08 3.80 0.00 2.06 1.94 0.00 3.11 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 44 V 7.34 3.52 2.17 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 1.09 0.00 0.00 0.89 0.00 0.00 45 T 7.84 3.81 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 1.23 0.00 0.00 46 A 8.37 3.95 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 47 A 7.95 3.91 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 48 I 8.04 3.63 2.04 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 1.47 0.85 0.95 0.00 0.00 49 A 8.34 4.06 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 50 S 8.19 4.13 0.00 4.31 4.21 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 51 N 8.29 4.37 0.00 3.04 2.93 0.00 0.00 7.00 7.15 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 52 I 7.97 3.73 1.94 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 1.43 0.90 0.94 0.00 0.00 53 W 8.52 4.10 0.00 3.49 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.41 4.09 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 55 A 8.01 3.86 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 56 A 7.94 3.83 1.14 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 57 D 7.90 3.91 0.00 2.06 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 58 R 8.01 4.01 0.00 2.01 1.93 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 59 N 8.12 4.34 0.00 2.97 2.79 0.00 0.00 7.10 7.93 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 60 G 8.00 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 61 N 7.74 4.57 0.00 2.91 2.87 0.00 0.00 7.04 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 62 Q 8.00 4.11 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 63 A 7.14 4.18 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 F 9.10 4.39 0.00 2.91 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.68 4.68 0.00 2.73 2.67 0.00 0.00 5.95 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.40 3.95 0.00 1.89 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 2.28 2.36 0.00 67 D 8.12 4.71 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.96 4.36 0.00 3.94 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 69 L 8.32 3.91 0.00 1.25 1.18 0.65 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.36 4.68 0.00 1.91 1.99 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.40 7.81 71 F 7.64 4.96 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 72 I 8.58 4.81 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 1.19 0.68 0.95 0.00 0.00 73 L 8.70 5.42 0.00 1.31 1.55 0.89 1.23 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 74 M 9.52 4.92 0.00 1.91 1.94 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 2.54 2.47 0.00 75 D 8.96 5.28 0.00 3.11 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 76 C 8.89 5.03 0.00 3.12 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 77 M 8.80 4.04 0.00 2.02 2.17 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 2.63 2.54 0.00 78 E 8.00 4.59 0.00 2.02 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 2.24 2.30 0.00 79 G 6.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.96 5.17 0.00 1.59 1.79 0.00 3.04 0.00 0.00 2.75 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 0.00 81 V 8.69 4.92 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 1.05 0.00 0.00 0.84 0.00 0.00 82 A 8.96 5.38 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 83 I 8.35 4.93 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 1.11 0.82 0.78 0.00 0.00 84 T 8.27 4.48 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 1.08 0.00 0.00 85 R 8.15 4.53 0.00 1.71 1.75 0.00 3.30 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.71 0.00 86 V 8.23 4.33 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 0.68 0.00 0.00 0.92 0.00 0.00 87 A 9.07 3.54 1.05 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 0.00 0.00 88 N 8.89 4.68 0.00 2.82 2.91 0.00 0.00 5.75 7.79 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 89 L 7.89 4.68 0.00 1.63 1.74 0.89 0.76 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 90 L 8.66 4.80 0.00 1.29 1.14 0.60 -0.83 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 91 L 8.69 5.01 0.00 1.61 1.36 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 C 9.00 5.24 0.00 2.93 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 93 M 8.94 5.26 0.00 2.02 1.95 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 2.52 2.47 0.00 94 Y 9.10 5.01 0.00 3.07 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.56 5.20 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 96 K 8.64 4.19 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 97 E 8.98 3.98 0.00 1.88 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 2.51 2.44 0.00 98 T 7.58 4.10 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 1.18 0.00 0.00 99 V 7.55 3.56 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 0.74 0.00 0.00 0.95 0.00 0.00 100 G 8.47 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 0.00 101 F 8.45 4.58 0.00 3.13 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 0.00 102 G 8.18 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 0.00 103 M 8.00 4.02 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 104 L 8.15 3.97 0.00 1.94 1.92 0.97 0.37 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 K 8.33 3.93 0.00 1.64 1.82 0.00 1.20 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.94 0.21 7.81 106 A 8.23 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.33 3.92 0.00 2.01 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 108 A 8.25 4.08 1.65 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 0.00 109 Q 8.57 4.05 0.00 2.31 2.20 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 2.49 2.50 0.00 110 A 8.36 4.05 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 0.00 111 L 7.98 3.99 0.00 1.82 1.88 0.93 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 0.00 112 V 8.10 3.61 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 1.16 0.00 0.00 1.06 0.00 0.00 113 Q 8.13 4.01 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 114 Y 7.87 4.01 0.00 3.07 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.28 4.17 0.00 1.68 1.74 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.24 4.38 0.00 2.00 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 2.29 2.41 0.00 117 E 7.58 4.14 0.00 2.04 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 2.27 2.05 0.00