NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9421 8.3549 109.7380 45.6859 0.0000 172.9355 2 L 4.4238 8.2722 122.9992 51.0617 44.1486 175.0579 3 S 4.5324 9.8735 117.6721 57.9698 66.2648 174.8167 4 D 4.6950 8.7582 122.1893 57.3908 40.4924 179.4257 5 G 3.6034 8.0459 105.8400 47.8772 0.0000 175.1775 6 E 3.8595 8.5012 121.9701 58.9460 29.5059 179.2520 7 W 4.4673 7.9865 118.6212 60.3213 29.1904 178.4810 8 Q 4.1031 8.2984 119.1123 59.1723 28.5497 178.0599 9 L 4.0383 8.0327 120.1116 58.0012 41.6379 179.3142 10 V 3.7097 8.1070 118.1111 66.4055 31.3552 178.1102 11 L 4.2428 8.8367 118.9042 57.8540 41.2761 179.5372 12 N 4.4255 8.0971 116.0332 56.2839 38.3459 177.3321 13 V 3.7659 8.1001 119.7645 65.7016 31.6721 177.9100 14 W 4.0792 8.6020 128.2892 59.9572 30.4128 178.0919 15 G 3.7043 7.8488 106.0730 47.8240 0.0000 175.7046 16 K 3.8211 7.2705 118.6880 59.0423 32.1663 179.3090 17 V 2.8880 6.9337 117.9297 65.5313 31.3658 177.7337 18 E 3.8923 7.8215 117.8223 58.5468 29.0587 178.2869 19 A 4.3516 7.5048 119.1537 52.7138 19.6245 177.2305 20 D 4.5641 7.7683 113.5784 52.6364 43.8089 176.1160 21 V 3.4821 7.6277 123.8628 65.8254 32.1696 176.7685 22 A 3.8840 8.0393 120.2174 54.9663 18.2405 179.7064 23 G 3.5750 7.8143 105.2796 47.8973 0.0000 175.7675 24 H 4.1277 8.1480 119.3775 58.1404 28.6153 178.2447 25 G 3.5535 8.8753 108.8572 47.6852 0.0000 175.3594 26 Q 3.8509 8.7629 122.7654 59.1200 29.0316 178.1991 27 E 3.8452 7.8940 118.9100 59.4294 29.5110 179.6995 28 V 3.4913 8.0399 118.4748 66.0132 31.5335 178.1267 29 L 3.4689 7.8252 118.6776 57.6001 41.3611 179.5510 30 I 3.6670 7.6656 119.8239 64.3870 36.9634 178.7275 31 R 3.9217 8.0391 119.2240 58.8920 29.8645 178.8257 32 L 3.9359 7.6518 120.0917 58.2207 41.7526 179.1316 33 F 4.5176 8.0899 117.9890 60.7046 38.6452 177.9238 34 K 4.1025 8.5069 117.4103 59.2700 31.9341 179.2186 35 G 3.8139 8.0779 104.5003 45.8938 0.0000 173.9329 36 H 4.6440 8.4977 118.2080 52.0686 30.3116 171.7238 37 P 4.5590 0.0000 0.0000 64.5849 31.5829 177.3846 38 E 4.1843 8.2225 115.7749 59.0292 29.5073 179.0777 39 T 3.8632 8.1823 112.0043 64.6210 68.8353 176.2871 40 L 3.6907 8.0497 123.0183 57.8636 41.7489 178.7019 41 E 4.0172 7.7138 116.6761 59.1448 29.4240 178.8342 42 K 4.3552 8.1104 118.4393 57.0879 32.5596 176.2654 43 F 4.6470 8.1870 118.6200 55.6910 39.9284 175.6442 44 D 4.3166 8.6734 126.2793 57.3256 40.8279 179.1317 45 K 3.7055 7.7857 119.1357 58.9054 32.2357 176.7307 46 F 5.0823 8.0498 114.1669 56.7604 40.8902 176.0294 47 K 4.0930 8.1793 119.4212 58.5490 32.2141 177.1214 48 H 4.5683 7.9881 115.8303 55.7950 29.0863 174.7073 49 L 4.4713 7.9668 121.3976 54.2071 42.1159 176.8460 50 K 4.4946 8.7694 121.8443 55.7584 33.0943 176.3746 51 S 4.5413 7.6155 112.6008 56.1906 66.2254 175.5910 52 E 3.8788 8.6402 123.4534 59.9958 28.6253 179.0215 53 D 4.3242 8.0246 117.9065 57.6054 40.7523 178.5871 54 E 4.0733 7.6674 117.8233 59.3267 29.5618 179.1040 55 M 4.1570 8.3995 119.3952 58.4038 31.8993 178.9803 56 K 3.9645 8.7096 117.7224 58.7209 32.2237 178.5477 57 A 4.5048 7.4409 118.7609 52.5100 18.9448 177.4239 58 S 4.1056 7.5373 112.3924 58.6215 62.9017 174.4136 59 E 4.1579 8.7556 129.3282 59.2380 29.6937 178.2530 60 D 4.5807 8.1896 119.0497 56.4584 41.0810 177.8481 61 L 3.6621 7.7330 121.1667 57.1447 41.9892 178.5595 62 K 3.9734 7.6991 118.5705 58.9993 32.0769 178.9938 63 K 4.0050 7.9017 119.0040 59.7969 32.0333 178.8729 64 H 4.4052 8.3835 118.2947 59.0363 29.7405 177.4030 65 G 3.6250 8.2494 107.6919 47.8112 0.0000 175.0070 66 N 4.2943 8.1352 119.7558 56.7151 39.1273 176.9144 67 T 3.8851 8.1238 117.1600 67.0023 68.5383 176.4789 68 T 3.8885 8.2954 117.7948 66.9567 68.4899 176.7322 69 L 4.2456 8.2978 120.7689 57.9344 41.6165 179.8753 70 T 3.9765 8.2742 115.8265 66.5421 68.4952 176.3809 71 A 3.9870 7.8698 122.2197 55.2320 18.4567 179.4091 72 L 3.7493 7.9843 118.9493 58.1488 42.0960 179.3561 73 G 3.4381 8.8598 106.5269 47.6925 0.0000 175.9296 74 G 3.6314 7.8278 107.0585 47.3790 0.0000 175.7095 75 I 3.8707 7.4519 122.0101 64.0556 37.1836 178.1625 76 L 3.9156 7.4407 119.8276 57.9952 41.2488 179.9214 77 K 3.9172 7.5197 116.4020 58.9189 31.7041 178.5747 78 K 4.0382 7.8312 116.7979 55.3943 32.6598 176.7904 79 K 2.0000 8.1572 118.6963 56.4540 29.8103 174.9206 80 G 3.8858 7.8901 106.4250 45.6534 0.0000 173.8662 81 H 4.5623 8.4821 119.5067 55.0656 27.4198 174.7102 82 H 5.2451 7.2593 111.1854 54.3894 29.5421 176.5337 83 E 3.9618 8.3755 123.1024 59.9067 29.0791 178.5962 84 A 4.0223 7.8649 119.5096 55.2236 18.7752 179.0501 85 E 4.0616 8.1492 116.6667 59.1161 29.6106 178.6823 86 L 4.2219 7.9690 119.6392 56.9870 42.1956 178.8824 87 T 3.8455 7.6240 116.2617 66.4808 68.4686 174.6846 88 P 4.3355 0.0000 0.0000 65.4188 31.2917 178.4852 89 L 4.1160 7.9371 118.6700 58.0246 42.0261 178.7329 90 A 4.1773 8.1133 120.9482 55.1587 18.2876 179.1206 91 Q 3.9159 8.6182 118.8543 59.3969 29.1067 178.6450 92 S 4.0110 8.7696 115.3223 61.9302 62.8754 176.0367 93 H 4.2862 8.7558 119.2998 58.0340 28.3920 176.8084 94 A 3.1072 8.3543 124.4114 54.1094 17.9593 179.3710 95 T 3.7191 8.2243 108.7295 63.2779 69.6287 176.3284 96 K 3.9993 7.5053 121.1843 58.8521 32.6797 177.2487 97 H 4.2996 7.8384 114.0504 56.0004 29.5272 175.3145 98 K 3.3039 7.3661 116.5293 56.0854 28.5504 175.6142 99 I 4.3642 9.2019 118.3955 58.9066 38.5304 175.1267 100 P 4.4515 0.0000 0.0000 62.6664 31.9282 178.0210 101 V 3.8050 8.3519 113.7004 64.2097 31.4449 178.8731 102 K 3.6430 7.9288 118.3861 60.3225 32.1379 178.6021 103 Y 4.2084 7.6340 117.1391 60.6084 37.8097 178.2241 104 L 4.2310 8.1588 120.4435 57.6359 41.6712 179.2477 105 E 4.0909 7.8910 118.3836 59.2432 29.4558 179.1219 106 F 4.5693 7.7249 118.0216 60.7008 38.9267 177.6057 107 I 3.8853 8.1758 118.2710 63.9114 37.7595 178.1902 108 S 4.1852 8.0883 115.9207 61.6388 62.6571 176.2617 109 E 4.0635 8.9568 122.1215 58.8965 29.2549 178.5252 110 A 4.2614 8.0183 122.4435 54.5827 18.3651 179.4910 111 I 3.6538 8.1235 118.5096 64.7576 37.1998 178.7457 112 I 3.7896 7.8632 120.3480 64.5659 36.6729 178.3898 113 Q 4.0216 8.3110 118.9991 59.2359 28.5052 179.4143 114 V 3.5798 8.1316 119.3132 65.6426 31.5167 178.1628 115 L 3.7535 7.9868 119.2016 57.5310 41.0646 179.0927 116 Q 4.1737 7.8560 118.5492 59.4464 29.0945 178.1374 117 S 4.2128 7.9447 112.9099 60.9712 62.5349 175.5921 118 K 4.1404 8.1514 120.0382 57.4317 33.3340 176.6534 119 H 4.9975 8.6366 116.4024 53.4000 29.5565 172.3709 120 P 4.2930 0.0000 0.0000 66.2140 31.2569 178.0294 121 G 3.9893 8.1939 106.7003 48.4109 0.0000 173.8750 122 D 4.5996 8.0487 117.9299 54.4313 41.8658 177.7347 123 F 4.9883 8.0988 123.7125 57.9382 36.6761 174.9949 124 G 3.9096 7.7291 108.1621 43.3679 0.0000 170.4270 125 A 3.9119 8.5409 120.7949 55.6083 18.0361 179.8510 126 D 4.1604 7.9230 116.1315 57.4598 41.0279 178.6775 127 A 3.9175 7.7810 120.7017 55.1265 18.3878 179.3388 128 Q 3.2641 7.5249 116.5487 59.0228 28.2916 179.6755 129 G 3.4917 8.0590 106.2566 47.4461 0.0000 175.6848 130 A 3.8637 8.6932 124.2906 55.2882 18.4618 179.4304 131 M 4.0505 8.4436 117.1749 58.9310 32.2250 178.6430 132 S 4.2338 8.3528 115.4501 61.3174 62.8641 176.7659 133 K 3.9268 7.7606 120.5502 59.0592 31.7258 179.2623 134 A 3.8041 7.6624 120.7694 55.1310 18.2775 179.6845 135 L 4.1150 7.9596 117.4183 57.4794 41.5549 179.2627 136 E 3.9536 8.4515 119.9024 59.1354 29.5415 178.6115 137 L 4.0374 8.3195 120.8063 58.0122 42.1928 178.5497 138 F 4.1272 8.2549 120.5082 61.4632 39.3794 177.1523 139 R 3.5940 8.5220 117.8499 59.4795 29.8002 178.9231 140 N 4.3061 9.0120 117.1685 56.3911 38.6098 177.2935 141 D 4.3437 8.4746 120.6806 57.1299 40.7399 178.8447 142 M 3.6248 7.6674 119.2440 58.1895 31.8408 178.4033 143 A 3.7794 7.8004 121.8965 54.5193 18.4361 179.5941 144 A 3.8819 7.6341 119.2060 55.1570 18.4068 179.8354 145 K 3.8945 7.7548 117.8149 59.7528 32.3071 178.3279 146 Y 4.4816 8.5439 117.8412 61.4768 37.6732 178.8613 147 K 3.9545 8.2284 118.9242 59.5138 32.2775 178.0834 148 E 4.1017 7.9258 118.8652 59.2412 29.7129 178.5731 149 L 4.2188 8.0448 117.9647 56.0381 41.7149 178.2485 150 G 4.0346 8.0603 106.5131 45.1379 0.0000 174.3869 151 F 4.8695 7.8775 127.4704 58.6136 39.1099 176.6789 152 Q 3.9655 6.2383 114.8713 56.3226 29.6157 175.7353 153 G 3.7268 7.8580 112.0247 45.7319 0.0000 172.2051 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 G 8.35 3.94 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 0.00 0.00 0.00 2 L 8.27 4.42 0.00 0.79 0.89 0.54 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.87 4.53 0.00 4.00 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 4 D 8.76 4.69 0.00 2.77 2.84 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 0.00 0.00 0.00 0.00 5 G 8.05 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 6 E 8.50 3.86 0.00 2.08 1.70 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 2.21 2.28 0.00 7 W 7.99 4.47 0.00 3.59 3.22 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 8 Q 8.30 4.10 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 9 L 8.03 4.04 0.00 1.94 1.73 0.89 0.80 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 10 V 8.11 3.71 2.48 0.00 0.00 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 0.82 0.00 0.00 11 L 8.84 4.24 0.00 1.80 1.81 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.10 4.43 0.00 2.94 2.93 0.00 0.00 6.97 7.74 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 13 V 8.10 3.77 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 1.11 0.00 0.00 1.25 0.00 0.00 14 W 8.60 4.08 0.00 3.68 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 15 G 7.85 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 0.00 0.00 0.00 16 K 7.27 3.82 0.00 1.42 1.53 0.00 1.79 0.00 0.00 1.47 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.42 7.81 17 V 6.93 2.89 0.67 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 0.16 0.00 0.00 -0.04 0.00 0.00 18 E 7.82 3.89 0.00 2.19 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 2.40 2.51 0.00 19 A 7.50 4.35 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 20 D 7.77 4.56 0.00 2.66 2.53 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 0.00 0.00 0.00 0.00 21 V 7.63 3.48 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 1.01 0.00 0.00 0.93 0.00 0.00 22 A 8.04 3.88 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 23 G 7.81 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.15 4.13 0.00 3.12 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.88 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.76 3.85 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 E 7.89 3.85 0.00 2.10 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 2.24 2.36 0.00 28 V 8.04 3.49 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 1.00 0.00 0.00 0.97 0.00 0.00 29 L 7.83 3.47 0.00 1.64 1.02 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.67 3.67 1.85 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 1.50 0.49 0.87 0.00 0.00 31 R 8.04 3.92 0.00 1.90 1.94 0.00 3.08 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 32 L 7.65 3.94 0.00 1.72 1.40 1.08 0.74 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 33 F 8.09 4.52 0.00 2.99 2.82 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 34 K 8.51 4.10 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.59 7.81 35 G 8.08 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.50 4.64 0.00 2.91 2.94 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.14 2.10 0.00 3.82 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 2.08 2.11 0.00 38 E 8.22 4.18 0.00 2.31 2.31 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 2.32 2.65 0.00 39 T 8.18 3.86 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 0.81 0.00 0.00 40 L 8.05 3.69 0.00 1.53 1.76 -0.32 0.73 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 41 E 7.71 4.02 0.00 2.35 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 2.39 2.53 0.00 42 K 8.11 4.36 0.00 2.08 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.33 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.57 1.42 7.81 43 F 8.19 4.65 0.00 3.21 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 44 D 8.67 4.32 0.00 2.64 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 45 K 7.79 3.71 0.00 1.39 1.07 0.00 1.55 0.00 0.00 1.51 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.54 1.22 7.81 46 F 8.05 5.08 0.00 2.88 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 47 K 8.18 4.09 0.00 1.79 1.89 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.57 7.81 48 H 7.99 4.57 0.00 3.20 3.38 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.97 4.47 0.00 1.53 1.56 1.02 0.70 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 50 K 8.77 4.49 0.00 1.68 1.78 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.48 7.81 51 S 7.62 4.54 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.64 3.88 0.00 2.03 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 2.37 2.42 0.00 53 D 8.02 4.32 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.67 4.07 0.00 2.01 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 2.35 2.34 0.00 55 M 8.40 4.16 0.00 2.00 2.23 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 2.58 2.55 0.00 56 K 8.71 3.96 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 57 A 7.44 4.50 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 58 S 7.54 4.11 0.00 3.96 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 59 E 8.76 4.16 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 60 D 8.19 4.58 0.00 3.00 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 61 L 7.73 3.66 0.00 1.11 1.58 0.78 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.70 3.97 0.00 1.88 1.92 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 7.90 4.01 0.00 1.94 1.93 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.54 7.81 64 H 8.38 4.41 0.00 3.73 3.57 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 65 G 8.25 3.63 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 0.00 66 N 8.14 4.29 0.00 2.90 3.06 0.00 0.00 7.28 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 67 T 8.12 3.89 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 1.26 0.00 0.00 68 T 8.30 3.89 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 1.29 0.00 0.00 69 L 8.30 4.25 0.00 1.75 1.92 0.88 1.14 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 70 T 8.27 3.98 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 71 A 7.87 3.99 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 72 L 7.98 3.75 0.00 1.59 1.72 0.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.86 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 0.00 0.00 0.00 74 G 7.83 3.63 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 0.00 75 I 7.45 3.87 1.83 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 1.52 1.15 0.85 0.00 0.00 76 L 7.44 3.92 0.00 1.30 1.47 -0.33 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.52 3.92 0.00 1.76 1.81 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.39 7.81 78 K 7.83 4.04 0.00 1.65 1.88 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.68 1.76 7.81 79 K 8.16 2.00 0.00 1.00 0.74 0.00 1.44 0.00 0.00 1.38 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.61 0.97 7.81 80 G 7.89 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 81 H 8.48 4.56 0.00 3.16 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.26 5.25 0.00 3.25 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.38 3.96 0.00 2.07 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 2.39 2.40 0.00 84 A 7.86 4.02 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 85 E 8.15 4.06 0.00 2.21 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 0.00 2.39 2.43 0.00 86 L 7.97 4.22 0.00 1.83 1.80 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.62 3.85 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 1.23 0.00 0.00 88 P 0.00 4.34 0.00 2.19 2.12 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 89 L 7.94 4.12 0.00 1.83 1.87 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.11 4.18 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 91 Q 8.62 3.92 0.00 2.49 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 92 S 8.77 4.01 0.00 3.89 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 0.00 93 H 8.76 4.29 0.00 3.51 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.35 3.11 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 95 T 8.22 3.72 4.12 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 0.00 0.00 1.10 0.00 0.00 96 K 7.51 4.00 0.00 1.58 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.35 7.81 97 H 7.84 4.30 0.00 3.03 3.12 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.37 3.30 0.00 1.76 1.76 0.00 1.46 0.00 0.00 0.61 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.11 7.81 99 I 9.20 4.36 2.13 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 1.39 0.99 1.20 0.00 0.00 100 P 0.00 4.45 0.00 1.66 1.71 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.58 0.00 101 V 8.35 3.81 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.87 0.00 0.00 102 K 7.93 3.64 0.00 1.50 1.91 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.24 7.81 103 Y 7.63 4.21 0.00 3.16 3.15 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 0.00 0.00 0.00 0.00 104 L 8.16 4.23 0.00 1.90 1.78 0.64 1.22 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 0.00 105 E 7.89 4.09 0.00 2.02 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 2.39 2.47 0.00 106 F 7.72 4.57 0.00 3.18 2.92 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 0.00 107 I 8.18 3.89 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 1.09 0.00 0.00 108 S 8.09 4.19 0.00 4.17 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 0.00 109 E 8.96 4.06 0.00 2.09 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 0.00 2.41 2.41 0.00 110 A 8.02 4.26 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 0.00 111 I 8.12 3.65 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 1.06 0.00 0.00 112 I 7.86 3.79 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.72 1.15 0.00 0.00 113 Q 8.31 4.02 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 114 V 8.13 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 115 L 7.99 3.75 0.00 0.54 0.40 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.86 4.17 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 117 S 7.94 4.21 0.00 3.89 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 0.00 118 K 8.15 4.14 0.00 1.46 1.38 0.00 1.53 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.25 1.39 7.81 119 H 8.64 5.00 0.00 3.02 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.20 2.25 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 121 G 8.19 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 0.00 0.00 0.00 0.00 122 D 8.05 4.60 0.00 2.74 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 0.00 123 F 8.10 4.99 0.00 3.08 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 0.00 124 G 7.73 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 0.00 125 A 8.54 3.91 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 0.00 126 D 7.92 4.16 0.00 2.65 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 0.00 127 A 7.78 3.92 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 0.00 128 Q 7.52 3.26 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 129 G 8.06 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.69 3.86 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 0.00 131 M 8.44 4.05 0.00 2.39 2.34 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.95 0.00 132 S 8.35 4.23 0.00 3.89 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 0.00 133 K 7.76 3.93 0.00 1.85 1.66 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.48 7.81 134 A 7.66 3.80 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 0.00 135 L 7.96 4.11 0.00 1.79 1.80 1.00 0.73 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 0.00 136 E 8.45 3.95 0.00 2.37 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 0.00 2.31 2.32 0.00 137 L 8.32 4.04 0.00 1.84 1.96 1.04 1.04 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 0.00 138 F 8.25 4.13 0.00 3.13 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 0.00 139 R 8.52 3.59 0.00 2.00 1.90 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.07 0.00 140 N 9.01 4.31 0.00 2.61 2.83 0.00 0.00 7.11 7.96 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 0.00 141 D 8.47 4.34 0.00 2.66 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 0.00 142 M 7.67 3.62 0.00 1.21 1.37 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.76 0.00 143 A 7.80 3.78 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 0.00 144 A 7.63 3.88 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 0.00 145 K 7.75 3.89 0.00 2.09 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.54 4.48 0.00 3.03 2.97 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 0.00 147 K 8.23 3.95 0.00 1.83 2.01 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.93 4.10 0.00 2.20 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 2.34 2.36 0.00 149 L 8.04 4.22 0.00 2.04 1.76 0.99 1.31 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 0.00 150 G 8.06 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 0.00 151 F 7.88 4.87 0.00 2.85 2.65 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 0.00 152 Q 6.24 3.97 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 1.92 1.73 0.00 153 G 7.86 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 0.00 0.00 0.00