NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1114 8.3645 123.5821 52.3328 20.1062 177.4597 2 D 4.1684 7.9409 120.2236 53.7811 37.1366 175.1356 3 T 4.0995 7.9097 120.1653 64.8131 70.4185 180.0602 4 K 4.4862 8.0685 123.7316 55.3986 31.4455 181.3408 5 E 4.1436 8.9744 125.5367 62.7371 29.6868 183.0194 6 V 3.9589 7.8470 122.7614 66.2775 31.6334 180.8706 7 L 4.2240 7.9292 124.9974 60.0244 41.0865 181.2775 8 E 4.1564 8.3016 119.6515 61.0662 29.5577 181.0563 9 A 4.2478 8.5861 124.6763 55.7588 18.4718 180.6270 10 R 3.9987 8.0582 121.3447 62.1043 29.3472 181.3466 11 E 4.2077 8.4418 117.6979 61.2272 29.5886 182.8916 12 A 4.2485 8.0182 123.9838 55.9775 18.6019 180.0494 *13 Y 3.9981 8.1507 121.5669 62.5830 36.7407 181.1145 *14 F 4.4384 8.1486 123.1321 62.5130 38.0729 182.6836 15 K 4.3175 8.1504 125.7382 60.4811 31.4746 182.6387 16 S 4.4677 8.4646 121.4957 64.2055 62.3636 181.0670 17 L 4.3950 8.2622 125.5070 59.0948 40.8648 181.9533 18 G 3.9347 8.4053 105.5260 47.7400 0.0000 176.2486 19 G 3.6874 8.4192 110.8558 48.0729 0.0000 176.6446 20 S 4.2215 8.1377 123.5357 64.0546 62.3514 179.0194 21 M 4.3180 8.0055 126.4195 60.3153 31.0064 181.1106 22 K 4.1515 7.9937 124.5800 59.5955 31.9872 180.8635 23 A 4.2997 8.4634 124.3605 55.4217 18.1568 180.4343 24 M 4.0680 8.2733 121.8869 60.8799 31.6671 184.3063 25 T 4.2478 8.5047 116.5790 65.2662 68.4928 178.8422 26 G 3.7779 8.6129 110.5121 48.5391 0.0000 177.0150 27 V 3.6430 7.4946 121.1713 65.5441 31.7245 179.9376 28 A 4.4976 8.1665 123.3526 55.4270 18.2821 180.1767 29 K 4.1345 7.8290 120.7923 59.5152 32.3771 182.6269 30 A 5.1018 8.5443 127.0442 51.2193 19.3653 180.5007 *31 F 4.6219 8.1578 117.0108 59.1411 40.8388 170.8201 32 D 4.2835 8.0755 134.5576 51.2786 45.3671 175.6050 33 A 5.4265 8.3127 135.0000 54.1462 19.8977 180.5564 34 E 3.9690 7.7673 115.0623 61.1268 29.8423 181.4531 35 A 4.1318 7.9981 121.4264 54.9224 18.4400 179.0430 36 A 3.9940 8.2070 121.0999 56.1329 18.4473 180.1605 37 K 3.8927 8.0218 124.0084 60.9884 31.8009 182.0494 38 V 3.9613 7.8787 122.9831 66.3438 31.4705 180.7575 39 E 4.1730 8.2588 118.2614 61.0202 29.6093 181.3528 40 A 4.1953 8.2509 122.1913 55.0618 18.4484 179.4667 41 A 3.9584 7.9561 121.2067 56.1431 18.2949 180.7051 42 K 4.0382 7.8135 122.7459 60.5661 31.9673 181.1958 43 L 4.3302 8.6359 125.4527 60.2293 40.7172 182.6089 44 E 4.2223 8.9791 121.4132 61.7810 29.4486 182.5261 45 K 4.2224 7.7779 125.6001 60.3209 31.8260 181.6714 46 I 4.1880 8.0917 123.0476 65.0328 36.9567 179.9699 47 L 4.5395 6.9338 118.0615 53.2791 39.1218 178.1508 48 A 4.4493 7.6512 128.8382 52.4698 20.5662 179.3361 49 T 4.4864 8.3453 118.1253 59.5773 67.3945 172.9719 50 D 4.7062 7.4037 123.7076 54.5327 47.3800 180.6399 51 V 3.8391 7.8390 112.9936 61.1671 30.3966 181.9387 52 A 4.0953 9.7774 126.6540 54.0635 16.9533 179.0656 53 P 4.1674 0.0000 0.0000 60.2691 31.1656 178.1633 54 L 3.7749 8.0233 120.6851 54.0121 39.9060 178.4871 *55 F 4.8912 9.9297 124.8595 56.4011 35.8351 178.2376 56 P 4.0853 0.0000 0.0000 62.5680 30.4184 175.7115 57 A 4.7475 8.4332 112.6681 54.4182 15.6652 177.1267 58 G 4.0328 7.7575 109.3925 47.1031 0.0000 170.7655 59 T 4.3036 7.2460 117.0915 62.3450 76.4400 179.1388 60 S 4.5561 7.9353 121.8968 58.9946 64.1717 176.1022 61 S 3.7869 8.5242 112.1283 61.0773 59.1835 169.0023 62 T 4.3228 7.4818 126.3229 61.0490 70.4196 176.5377 63 D 4.7474 7.3459 131.4144 49.9613 44.8048 183.7272 64 L 3.5151 8.9508 125.7312 54.4333 38.9906 178.8431 65 P 4.1576 0.0000 0.0000 61.6805 30.6651 176.2228 66 G 3.5997 9.3190 104.6653 50.1293 0.0000 173.1977 67 Q 3.1453 8.6001 118.4523 56.0307 27.0592 169.0358 68 T 4.1179 8.5154 108.0636 62.7384 68.8802 170.2925 69 E 4.9980 8.0086 122.1282 54.6861 33.0537 172.9876 70 A 4.1888 8.6416 118.7341 55.7094 23.7943 176.1159 71 K 3.7606 9.0805 109.3821 56.1774 29.1740 171.1706 72 A 4.0434 8.8744 122.5660 51.0513 16.0644 181.8697 73 A 4.4048 8.7607 119.5913 53.3699 19.1098 178.3295 74 I 2.9871 7.0118 115.1949 63.1573 37.3650 175.8261 *75 W 4.1584 7.9051 125.2357 57.5683 28.5259 179.2314 76 A 3.9332 7.4282 122.6519 54.9982 18.7883 178.9093 77 N 4.9882 7.8212 117.2556 53.4381 37.1143 179.0391 78 M 4.2978 8.1105 129.3542 61.1954 31.7390 180.1387 79 D 4.6162 8.1692 123.7783 59.1126 40.2341 180.6019 80 D 4.6882 8.2811 124.8429 58.8660 39.8038 181.1376 *81 F 4.3153 8.6161 122.5177 61.9122 38.0517 179.4440 82 G 3.9621 8.4139 106.7831 47.9345 0.0000 174.8552 83 A 4.0087 8.1850 125.0535 55.7199 18.3698 180.1355 84 K 4.0146 8.2759 120.8194 60.5947 31.7626 180.6117 85 G 3.9352 8.2245 107.9387 48.2662 0.0000 176.0007 86 K 3.8734 8.3907 124.8095 59.1168 32.0356 180.8050 87 A 4.2233 8.5501 124.8256 56.0580 18.3058 180.1184 88 M 4.0769 8.6381 121.2991 60.9768 31.4145 180.9243 *89 H 4.4113 8.4045 122.6427 60.1669 28.1091 179.5772 90 E 4.1590 8.5453 121.5138 61.3269 29.4786 181.2174 91 A 4.3728 8.0683 121.5822 54.8513 18.5299 179.3473 92 G 3.6974 8.6071 105.0889 48.3151 0.0000 176.0905 93 G 3.6174 8.9783 108.2321 46.8700 0.0000 175.4872 94 A 4.1082 8.1840 125.6100 55.5347 18.3755 180.8319 95 V 3.6810 8.3368 120.9794 66.8469 31.8170 181.5526 96 I 4.0273 7.7311 120.6098 64.7514 34.9673 180.1275 97 A 4.1182 7.6470 120.8070 55.1201 18.6549 179.4329 98 A 4.0430 8.4822 119.3738 55.1511 18.3122 179.5040 99 A 4.1928 8.3480 120.7082 56.3097 18.6265 180.0999 100 N 4.3993 7.9006 115.5025 55.4761 37.7481 179.1518 101 A 4.4470 8.2342 119.6326 54.0219 18.1083 178.9062 102 G 3.6730 9.4132 111.9529 45.7227 0.0000 175.8153 103 D 4.5072 7.5688 119.1720 51.7594 45.2021 179.8549 104 G 3.8826 8.4290 101.0064 50.3819 0.0000 173.9238 105 A 4.0907 8.1695 122.9271 54.7213 18.3940 178.9832 106 A 4.0262 8.0018 119.2417 55.2874 18.8702 180.3702 *107 F 4.0713 8.3783 119.3492 62.1413 37.8928 180.0963 108 G 3.8860 8.2452 105.3709 47.7574 0.0000 175.1183 109 A 4.0723 8.0217 122.7167 54.8144 18.4046 179.4329 110 A 4.0043 8.2440 120.2699 55.8802 18.6972 180.5161 111 L 4.1784 8.6442 122.9409 59.6407 40.9191 181.6837 112 Q 4.3690 8.1986 121.7205 60.9315 28.1348 184.2666 113 K 4.2600 8.0836 127.3301 60.6708 31.8539 182.9503 114 L 4.4111 7.8805 123.3031 58.7827 40.8218 181.3075 115 G 3.8579 8.0470 105.5936 48.1772 0.0000 176.1400 116 G 3.7322 8.8260 111.3047 47.4791 0.0000 176.1573 117 T 3.9554 7.8997 119.7463 67.0709 68.5038 181.2806 118 C 4.6226 8.4639 123.4457 60.5278 37.0505 178.6461 119 K 4.0608 8.2828 126.3652 59.7619 31.2584 180.5939 120 A 4.2780 8.6145 124.4709 55.9215 18.4194 179.3287 121 C 4.2407 8.2148 119.4331 61.4361 38.2041 178.5500 *122 H 4.4408 8.1770 123.7870 60.3810 27.5892 179.7933 123 D 4.7974 8.5018 125.7476 58.7691 39.5207 181.1580 124 D 4.7929 8.4434 122.9445 58.4295 40.2141 182.4121 *125 Y 4.3409 8.2502 122.9716 59.3395 37.6503 179.7782 126 R 5.2499 8.2900 121.6152 57.6861 32.7626 176.1729 127 E 4.2297 8.0211 118.9668 56.4185 31.7065 178.9586 128 E 3.8004 8.7692 112.4624 58.9315 26.4779 173.2683 129 D 4.6354 7.8661 122.2968 53.7066 39.7901 178.2464 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 A 8.36 4.11 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 2 D 7.94 4.17 0.00 2.96 2.62 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 3 T 7.91 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 K 8.07 4.49 0.00 1.68 1.80 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.00 7.81 5 E 8.97 4.14 0.00 1.92 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 2.24 2.19 0.00 6 V 7.85 3.96 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 0.75 0.00 0.00 0.93 0.00 0.00 7 L 7.93 4.22 0.00 1.65 1.70 0.92 0.91 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 8 E 8.30 4.16 0.00 1.96 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 2.25 2.22 0.00 9 A 8.59 4.25 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 10 R 8.06 4.00 0.00 1.86 1.96 0.00 3.28 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 11 E 8.44 4.21 0.00 1.95 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 2.24 2.20 0.00 12 A 8.02 4.25 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 *13 Y 8.15 4.00 0.00 2.34 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 0.00 0.00 0.00 *14 F 8.15 4.44 0.00 2.30 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 0.00 0.00 0.00 15 K 8.15 4.32 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 16 S 8.46 4.47 0.00 3.71 3.84 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 17 L 8.26 4.39 0.00 1.69 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.41 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 19 G 8.42 3.69 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 0.00 0.00 0.00 20 S 8.14 4.22 0.00 3.77 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 21 M 8.01 4.32 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 22 K 7.99 4.15 0.00 1.80 1.83 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 23 A 8.46 4.30 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.27 4.07 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 25 T 8.50 4.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 G 8.61 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 3.64 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 0.80 0.00 0.00 0.93 0.00 0.00 28 A 8.17 4.50 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.83 4.13 0.00 1.90 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.32 7.81 30 A 8.54 5.10 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 *31 F 8.16 4.62 0.00 2.27 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 0.00 0.00 0.00 32 D 8.08 4.28 0.00 2.63 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 0.00 0.00 0.00 0.00 33 A 8.31 5.43 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 34 E 7.77 3.97 0.00 1.99 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 2.31 1.95 0.00 35 A 8.00 4.13 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 36 A 8.21 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.02 3.89 0.00 1.81 1.85 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.35 7.81 38 V 7.88 3.96 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 0.71 0.00 0.00 0.93 0.00 0.00 39 E 8.26 4.17 0.00 1.98 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 2.24 2.20 0.00 40 A 8.25 4.20 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 41 A 7.96 3.96 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 42 K 7.81 4.04 0.00 1.91 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 43 L 8.64 4.33 0.00 1.59 1.68 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.98 4.22 0.00 1.91 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 2.26 2.24 0.00 45 K 7.78 4.22 0.00 1.89 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.33 7.81 46 I 8.09 4.19 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 1.38 1.10 0.91 0.00 0.00 47 L 6.93 4.54 0.00 1.73 1.53 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.65 4.45 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 49 T 8.35 4.49 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 D 7.40 4.71 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.84 3.84 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 0.85 0.00 0.00 0.93 0.00 0.00 52 A 9.78 4.10 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 53 P 0.00 4.17 0.00 2.10 1.79 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 54 L 8.02 3.77 0.00 1.83 1.68 0.92 0.67 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 *55 F 9.93 4.89 0.00 2.40 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 0.00 0.00 0.00 56 P 0.00 4.09 0.00 2.13 2.06 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 1.93 1.56 0.00 57 A 8.43 4.75 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 58 G 7.76 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 59 T 7.25 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 60 S 7.94 4.56 0.00 3.62 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 61 S 8.52 3.79 0.00 3.75 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 D 7.35 4.75 0.00 2.90 2.43 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 64 L 8.95 3.52 0.00 1.84 1.32 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.16 0.00 2.25 1.98 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 66 G 9.32 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 67 Q 8.60 3.15 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.88 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 68 T 8.52 4.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 69 E 8.01 5.00 0.00 1.98 1.74 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 1.98 1.65 0.00 70 A 8.64 4.19 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 71 K 9.08 3.76 0.00 1.97 1.81 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.99 7.81 72 A 8.87 4.04 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 73 A 8.76 4.40 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 74 I 7.01 2.99 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 1.27 0.71 0.91 0.00 0.00 *75 W 7.91 4.16 0.00 2.51 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 76 A 7.43 3.93 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 77 N 7.82 4.99 0.00 2.73 2.75 0.00 0.00 6.70 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 78 M 8.11 4.30 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.21 0.00 79 D 8.17 4.62 0.00 2.68 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 80 D 8.28 4.69 0.00 2.67 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 *81 F 8.62 4.32 0.00 2.23 2.33 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 82 G 8.41 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 0.00 0.00 0.00 83 A 8.18 4.01 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 84 K 8.28 4.01 0.00 1.81 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.37 7.81 85 G 8.22 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 86 K 8.39 3.87 0.00 1.80 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.36 7.81 87 A 8.55 4.22 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 88 M 8.64 4.08 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 *89 H 8.40 4.41 0.00 2.92 3.11 0.00 7.20 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.55 4.16 0.00 1.92 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 2.25 2.22 0.00 91 A 8.07 4.37 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 92 G 8.61 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 93 G 8.98 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 94 A 8.18 4.11 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 95 V 8.34 3.68 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 0.76 0.00 0.00 0.93 0.00 0.00 96 I 7.73 4.03 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 1.45 0.53 0.91 0.00 0.00 97 A 7.65 4.12 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 98 A 8.48 4.04 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 99 A 8.35 4.19 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 0.00 100 N 7.90 4.40 0.00 2.87 2.77 0.00 0.00 7.13 7.31 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 0.00 101 A 8.23 4.45 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 0.00 102 G 9.41 3.67 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 0.00 0.00 0.00 103 D 7.57 4.51 0.00 2.63 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 0.00 104 G 8.43 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 0.00 0.00 0.00 105 A 8.17 4.09 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 0.00 106 A 8.00 4.03 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 *107 F 8.38 4.07 0.00 2.29 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 0.00 0.00 0.00 108 G 8.25 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 0.00 109 A 8.02 4.07 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 0.00 110 A 8.24 4.00 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 0.00 111 L 8.64 4.18 0.00 1.61 1.69 0.92 0.97 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 0.00 112 Q 8.20 4.37 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 113 K 8.08 4.26 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 114 L 7.88 4.41 0.00 1.65 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.05 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 0.00 116 G 8.83 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 0.00 117 T 7.90 3.96 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 118 C 8.46 4.62 0.00 2.87 3.12 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 0.00 119 K 8.28 4.06 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 120 A 8.61 4.28 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 0.00 121 C 8.21 4.24 0.00 2.89 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 *122 H 8.18 4.44 0.00 2.94 3.09 0.00 7.19 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.50 4.80 0.00 2.72 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 0.00 124 D 8.44 4.79 0.00 2.73 2.60 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 *125 Y 8.25 4.34 0.00 2.44 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 0.00 0.00 0.00 126 R 8.29 5.25 0.00 1.82 1.77 0.00 3.23 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.00 127 E 8.02 4.23 0.00 2.07 1.79 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 2.26 2.12 0.00 128 E 8.77 3.80 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.85 0.00 129 D 7.87 4.64 0.00 2.69 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.