NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4467 8.1776 115.2918 57.8420 63.5083 174.6469 4 Q 3.9189 8.7017 124.0993 56.6668 28.4943 175.6194 5 I 4.1581 7.2977 109.7110 60.7602 39.4738 177.3450 6 R 4.1975 7.5609 121.4925 56.2021 30.0759 175.5548 7 Q 4.2269 8.8105 120.7045 56.5814 31.7186 173.4024 8 N 4.1509 9.1086 122.0966 54.2555 38.0030 172.7507 9 Y 4.7146 7.4770 118.1036 56.2324 38.7326 174.9640 10 S 4.4102 8.1176 123.2495 58.3479 65.4889 175.2035 11 T 3.7256 8.2175 120.3295 66.4677 68.1063 176.6024 12 D 4.2423 7.8345 119.9942 57.0418 41.3106 178.3233 13 V 3.5054 7.3119 118.6525 65.7663 31.6111 177.2302 14 E 4.1032 7.7228 120.2886 58.8368 29.3130 179.0117 15 A 3.9678 7.8492 119.8808 54.9435 18.3846 179.4682 16 A 3.9803 7.6543 119.6764 54.9295 18.3006 180.1476 17 V 3.5116 8.3103 117.3029 66.4292 31.9044 178.1608 18 N 4.2179 8.1843 115.8757 55.9331 38.3624 177.2518 19 S 4.2385 7.7732 114.5194 60.8492 62.4728 175.8371 20 L 4.0212 7.9477 123.2244 57.8939 41.7569 178.7959 21 V 3.7810 8.1097 118.6287 66.3946 31.3989 177.5464 22 N 4.3201 7.8081 115.5058 56.6515 38.7539 176.5571 23 L 3.9893 7.8628 121.4062 58.1613 42.0346 178.6982 24 Y 3.9833 8.5278 117.1399 61.1105 37.9597 177.8836 25 L 3.9942 8.4538 120.3443 58.1024 41.6851 179.5654 26 Q 4.0622 8.3478 118.9715 59.1362 28.9795 178.1917 27 A 3.7850 7.9658 121.7562 55.1545 18.5354 179.1886 28 S 4.2986 9.0495 112.4523 62.2342 62.3422 176.0250 29 Y 4.5378 8.3968 121.7751 60.8666 38.3904 178.0980 30 T 3.7937 7.8499 116.8842 66.9184 68.5265 176.2234 31 Y 4.0602 7.8561 118.7731 61.0154 37.9383 178.5130 32 L 4.0393 8.1605 121.1648 58.3355 41.9494 179.1315 33 S 4.2758 7.7329 111.9225 61.3522 62.8337 175.7800 34 L 3.6646 7.8067 121.9688 57.4357 40.8297 179.4922 35 G 3.8767 8.9992 106.7416 48.2485 0.0000 175.6164 36 F 4.2576 8.4484 119.8628 58.9934 38.7553 177.2643 37 Y 4.2986 7.9686 119.8350 60.6531 38.7447 176.9719 38 F 4.2441 7.8944 115.4662 58.6040 38.9873 176.2076 39 D 4.5771 7.4620 115.9337 54.1683 41.8583 176.5539 40 R 4.1193 7.1662 119.2818 56.4668 30.5974 177.4915 41 D 4.3598 8.6803 120.8522 55.7562 39.5342 176.8034 42 D 4.5979 7.9743 117.4363 53.7726 40.2812 176.3877 43 V 3.9226 7.5670 117.1642 64.4874 33.2508 175.3006 44 A 3.8129 8.0043 121.1660 52.9078 15.9234 176.9596 45 L 4.7312 8.5105 120.7620 50.8239 43.4577 176.7017 46 E 3.9842 8.5301 122.8974 59.1565 29.7793 178.3211 47 G 3.4633 7.8974 105.1624 47.7926 0.0000 175.8032 48 V 3.2586 7.4235 120.9655 65.1788 31.5286 177.5893 49 S 4.2671 8.2555 113.3471 62.0255 62.2985 175.8257 50 H 4.1546 8.4475 120.8361 58.9189 29.4062 176.8715 51 F 4.0637 7.8457 122.3819 61.4836 39.0972 177.2572 52 F 3.9573 7.7745 117.1993 60.4674 38.1803 177.9901 53 R 3.9607 8.0425 117.6936 59.0271 29.7391 179.0402 54 E 3.8979 7.8486 118.5445 59.1385 29.3569 179.1972 55 L 3.6159 7.1258 118.5755 57.6632 41.4662 179.3255 56 A 4.2076 8.1247 120.8909 55.3168 18.2324 179.1375 57 E 4.0234 7.8164 116.4018 58.7679 29.6124 178.8386 58 E 3.8677 7.9238 119.0155 59.3732 29.5109 179.3396 59 K 4.1935 8.4673 118.8509 59.3495 31.9681 179.3395 60 R 3.0564 7.7742 118.8278 59.3614 29.7537 178.5301 61 E 4.0986 7.7689 117.1620 59.1353 29.6495 179.0300 62 G 3.4716 8.0255 106.6772 47.8981 0.0000 175.2934 63 Y 4.2906 8.1926 121.0180 59.4219 37.9959 178.4474 64 E 4.1603 7.7482 120.7080 59.2021 29.5022 179.1459 65 R 4.0811 8.0890 119.0117 59.0546 30.0442 178.6002 66 L 4.0789 8.0185 118.5114 57.9436 41.7317 179.0281 67 L 4.0263 8.3848 119.2276 57.8956 41.5646 179.6636 68 K 3.9667 8.2572 119.3978 59.7858 32.1567 178.6056 69 M 3.9581 8.0148 118.4475 58.0860 31.9091 177.9517 70 Q 3.7578 8.1944 120.3892 59.3915 29.1995 178.2398 71 N 4.4487 7.9272 117.0927 56.2159 38.2651 177.4444 72 Q 3.9435 7.4837 118.5504 58.9190 29.0127 178.5767 73 R 3.9390 7.6841 117.8760 56.6032 30.0113 178.1121 74 G 4.0074 7.6073 106.1659 44.8911 0.0000 173.8807 75 G 4.1398 7.4659 107.8426 44.9844 0.0000 172.8856 76 R 4.5527 8.6335 117.3256 53.8468 33.0909 175.8134 77 A 4.1613 8.4792 125.6330 51.8653 19.1120 176.8164 78 L 4.4905 9.1400 122.8494 52.9918 45.3036 176.0879 79 F 4.8267 8.6408 121.9066 55.7916 41.1517 174.6947 80 Q 4.7767 8.2496 121.5193 53.6009 31.9246 174.9892 81 D 4.4344 8.4181 118.4351 54.6240 41.2608 176.6874 82 I 4.2413 8.0908 123.9354 59.6101 37.2066 176.0607 83 K 4.1171 8.6022 126.2024 55.8014 32.4388 177.6047 84 K 3.8743 8.4990 122.7395 55.8791 33.2823 174.9330 85 P 4.2456 0.0000 0.0000 62.6673 31.7483 177.5059 86 A 3.9768 8.6287 124.3396 54.7456 18.3402 176.8518 87 E 4.3056 6.7580 111.6978 54.9743 33.5211 174.6200 88 D 4.7235 7.8906 116.7571 54.0515 43.0133 176.5327 89 E 3.9755 7.1498 117.6650 54.4200 32.9777 175.1496 90 W 4.5521 6.5147 123.6105 56.1779 30.7843 178.3004 91 G 3.7934 7.4749 111.6829 46.9859 0.0000 177.3122 92 K 4.6719 8.6837 125.4874 54.8186 34.7529 177.0287 93 T 4.1570 8.5741 116.2104 66.8187 68.2338 175.0556 94 P 4.3683 0.0000 0.0000 65.6395 31.3341 178.4237 95 D 4.4316 8.2678 116.9900 57.5029 40.8865 178.5437 96 A 4.2276 8.5620 121.3536 55.4730 18.4180 179.3890 97 M 4.3908 8.5168 116.8899 58.6464 32.3107 178.6539 98 K 4.0506 8.5236 118.8534 59.4627 32.3005 179.0812 99 A 4.1283 8.4695 120.9872 55.1584 18.3311 179.5942 100 A 4.0385 8.1383 119.2844 55.4198 18.5657 179.3329 101 M 4.0044 8.7418 116.8753 58.8569 32.2578 178.0595 102 A 4.0071 8.4274 121.0676 55.4071 18.6215 179.1612 103 L 3.8483 8.0190 118.4926 58.5420 41.9373 179.2411 104 E 4.0541 8.1972 118.3090 59.2695 29.5020 179.2921 105 K 4.0036 8.2062 118.5759 59.2099 32.0125 179.1972 106 K 3.8707 8.2491 119.9382 59.7023 32.1604 178.8398 107 L 3.8709 7.8975 119.1367 57.6703 41.3682 179.1472 108 N 4.3488 8.5505 117.5551 56.6173 38.8482 176.7737 109 Q 3.9240 8.6565 121.1456 59.2477 29.2027 178.0084 110 A 3.9955 8.3268 122.0822 55.1585 18.3389 179.7027 111 L 3.9860 7.8943 117.5246 58.0219 41.6848 179.6811 112 L 4.0932 8.2341 119.1375 57.8307 41.4802 179.3654 113 D 4.3508 8.4801 119.3155 57.3381 40.8246 178.6047 114 L 4.0077 8.0622 120.8279 58.1669 41.8103 178.4910 115 H 4.2255 8.1592 117.6792 58.8488 30.0675 176.8525 116 A 4.1430 8.2412 122.9234 55.1900 17.9817 179.4213 117 L 4.0587 8.2107 118.9082 58.0764 42.0227 179.2961 118 G 3.6576 7.9036 105.2472 47.2166 0.0000 176.2228 119 S 4.0599 7.9552 117.3371 61.4230 62.6817 176.2533 120 A 3.9676 7.9296 122.5600 55.5738 18.1078 178.5144 121 R 4.2584 7.6822 111.7387 55.9654 30.2861 177.7563 122 T 3.4737 7.2329 105.6111 62.9720 67.7823 172.4213 123 D 4.8410 8.7522 125.0255 51.8550 41.7156 174.2209 124 P 4.3112 0.0000 0.0000 65.7725 31.4274 177.8414 125 H 4.1387 8.2357 117.5450 58.8700 29.8437 176.8674 126 L 4.0700 8.1394 121.7197 58.2917 42.0024 178.5633 127 C 4.2086 8.0298 116.2352 62.8935 28.1249 175.4748 128 D 4.3545 8.5543 120.0342 57.3415 40.7459 177.9983 129 F 4.1596 8.4064 121.0513 61.5318 39.4323 177.1793 130 L 4.2263 8.3434 118.5588 57.7134 40.3661 179.3581 131 E 3.9842 8.4836 118.7307 59.9795 29.1966 179.2246 132 T 3.6900 7.7360 114.5955 66.5802 68.6412 176.0502 133 H 4.3011 7.6235 117.1946 56.7156 29.4782 176.4673 134 F 4.6462 7.7595 117.4403 58.7798 40.7556 177.0621 135 L 4.0446 8.4113 118.7511 58.1599 41.5155 179.3171 136 D 4.3200 7.5478 114.5770 57.3586 41.1675 177.8998 137 E 3.9696 8.1676 118.6482 59.6246 29.4532 179.1461 138 E 4.0745 8.2112 118.1977 59.1690 29.4339 179.5713 139 V 3.5927 7.6244 118.4853 65.9489 31.6061 178.1592 140 K 3.9190 8.0361 118.2438 59.5222 31.8305 179.0972 141 L 4.0030 7.9574 120.4845 58.1689 41.9292 179.1115 142 I 3.7680 7.9053 119.8931 64.1291 37.0703 178.2293 143 K 3.9044 8.3364 120.7905 59.4493 32.0333 178.7235 144 K 4.0252 8.2756 119.9427 59.9100 32.1661 178.7559 145 M 4.3896 8.5997 119.3340 58.1272 31.8297 179.0167 146 G 3.6470 8.4419 106.6635 47.7857 0.0000 175.6114 147 D 4.3307 8.1609 121.2757 57.4607 40.7692 178.4886 148 H 4.1256 8.0072 116.6704 58.8170 28.6444 177.8614 149 L 4.0300 8.0656 120.6508 58.1077 41.5013 179.5858 150 T 3.8681 7.8945 115.5892 66.9621 68.4827 176.4830 151 N 4.4071 8.3872 118.2977 56.1042 38.2875 177.6174 152 L 4.0186 8.1005 120.2807 57.9804 41.9305 178.6887 153 H 4.2761 8.4740 118.3268 59.2488 29.6269 177.2533 154 R 3.9434 7.9467 119.4484 59.2805 29.9240 177.7514 155 L 4.3249 7.5784 116.1833 55.7426 41.7309 177.1813 156 G 3.7339 8.0427 113.7601 45.6705 0.0000 173.6928 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 3 S 8.18 4.45 0.00 3.88 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 4 Q 8.70 3.92 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 5 I 7.30 4.16 1.85 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 1.17 0.64 0.90 0.00 0.00 6 R 7.56 4.20 0.00 1.87 2.00 0.00 3.21 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 7 Q 8.81 4.23 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 5.97 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 8 N 9.11 4.15 0.00 2.89 2.91 0.00 0.00 7.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.48 4.71 0.00 3.01 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 10 S 8.12 4.41 0.00 3.98 3.90 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 11 T 8.22 3.73 4.15 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 1.13 0.00 0.00 12 D 7.83 4.24 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 3.51 1.93 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 0.92 0.00 0.00 0.90 0.00 0.00 14 E 7.72 4.10 0.00 1.55 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 2.23 0.00 15 A 7.85 3.97 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 16 A 7.65 3.98 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 17 V 8.31 3.51 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 1.11 0.00 0.00 1.04 0.00 0.00 18 N 8.18 4.22 0.00 2.82 2.74 0.00 0.00 6.75 6.88 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 19 S 7.77 4.24 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.95 4.02 0.00 2.00 1.86 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.11 3.78 2.26 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 1.10 0.00 0.00 1.06 0.00 0.00 22 N 7.81 4.32 0.00 2.93 2.99 0.00 0.00 6.92 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.86 3.99 0.00 1.84 1.75 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.53 3.98 0.00 3.53 3.38 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 25 L 8.45 3.99 0.00 1.90 1.71 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.35 4.06 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 27 A 7.97 3.78 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 28 S 9.05 4.30 0.00 4.20 4.47 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 29 Y 8.40 4.54 0.00 3.30 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.85 3.79 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 1.00 0.00 0.00 31 Y 7.86 4.06 0.00 3.05 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 32 L 8.16 4.04 0.00 2.14 2.18 1.23 0.92 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 33 S 7.73 4.28 0.00 3.94 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 34 L 7.81 3.66 0.00 1.34 0.86 -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.00 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 36 F 8.45 4.26 0.00 3.33 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 37 Y 7.97 4.30 0.00 3.31 3.03 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 38 F 7.89 4.24 0.00 3.24 3.05 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 39 D 7.46 4.58 0.00 2.62 2.83 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 0.00 0.00 0.00 0.00 40 R 7.17 4.12 0.00 1.81 1.95 0.00 3.38 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 41 D 8.68 4.36 0.00 2.79 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 42 D 7.97 4.60 0.00 2.81 2.83 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 0.00 0.00 0.00 0.00 43 V 7.57 3.92 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 0.73 0.00 0.00 0.43 0.00 0.00 44 A 8.00 3.81 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 45 L 8.51 4.73 0.00 1.74 1.48 1.02 0.66 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 46 E 8.53 3.98 0.00 2.01 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 2.35 2.38 0.00 47 G 7.90 3.46 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 48 V 7.42 3.26 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 0.05 0.00 0.00 0.56 0.00 0.00 49 S 8.26 4.27 0.00 4.02 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 50 H 8.45 4.15 0.00 3.30 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.85 4.06 0.00 2.88 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 52 F 7.77 3.96 0.00 3.20 3.01 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 53 R 8.04 3.96 0.00 1.94 1.97 0.00 2.79 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 54 E 7.85 3.90 0.00 2.00 1.81 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 2.16 2.17 0.00 55 L 7.13 3.62 0.00 0.78 0.44 -0.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.12 4.21 1.53 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 0.00 0.00 57 E 7.82 4.02 0.00 2.29 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 0.00 2.28 2.35 0.00 58 E 7.92 3.87 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 59 K 8.47 4.19 0.00 2.03 2.35 0.00 2.13 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 3.58 0.00 0.00 0.00 0.00 1.98 1.99 7.81 60 R 7.77 3.06 0.00 2.00 2.00 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 61 E 7.77 4.10 0.00 2.06 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 2.25 2.37 0.00 62 G 8.03 3.47 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 0.00 63 Y 8.19 4.29 0.00 3.22 3.36 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 64 E 7.75 4.16 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 65 R 8.09 4.08 0.00 2.09 2.30 0.00 2.72 0.00 0.00 2.74 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 66 L 8.02 4.08 0.00 2.06 1.76 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.38 4.03 0.00 1.96 1.86 1.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.26 3.97 0.00 2.14 2.02 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.52 7.81 69 M 8.01 3.96 0.00 1.69 1.74 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.30 0.00 70 Q 8.19 3.76 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 71 N 7.93 4.45 0.00 2.80 2.84 0.00 0.00 7.12 8.62 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 72 Q 7.48 3.94 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 73 R 7.68 3.94 0.00 0.87 1.03 0.00 2.89 0.00 0.00 2.64 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.91 0.00 74 G 7.61 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 75 G 7.47 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 76 R 8.63 4.55 0.00 1.75 1.78 0.00 3.34 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 77 A 8.48 4.16 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 78 L 9.14 4.49 0.00 1.35 1.42 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.64 4.83 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.25 4.78 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 81 D 8.42 4.43 0.00 2.69 2.63 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 82 I 8.09 4.24 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 1.12 0.00 0.00 83 K 8.60 4.12 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 84 K 8.50 3.87 0.00 1.69 1.79 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.38 7.81 85 P 0.00 4.25 0.00 2.19 2.25 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 86 A 8.63 3.98 1.19 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 0.00 0.00 87 E 6.76 4.31 0.00 1.16 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 1.54 1.59 0.00 88 D 7.89 4.72 0.00 2.43 2.55 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 89 E 7.15 3.98 0.00 1.63 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 90 W 6.51 4.55 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 91 G 7.47 3.79 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 0.00 0.00 0.00 92 K 8.68 4.67 0.00 2.15 1.89 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.57 7.81 93 T 8.57 4.16 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 1.14 0.00 0.00 94 P 0.00 4.37 0.00 2.24 2.17 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 95 D 8.27 4.43 0.00 3.03 2.83 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 0.00 0.00 0.00 0.00 96 A 8.56 4.23 1.88 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 97 M 8.52 4.39 0.00 2.41 2.33 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 98 K 8.52 4.05 0.00 2.11 1.93 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.77 7.81 99 A 8.47 4.13 1.62 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 0.00 100 A 8.14 4.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.74 4.00 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 102 A 8.43 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 0.00 103 L 8.02 3.85 0.00 1.72 1.83 0.83 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.20 4.05 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 105 K 8.21 4.00 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 106 K 8.25 3.87 0.00 1.90 1.99 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 107 L 7.90 3.87 0.00 1.94 1.61 0.81 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.55 4.35 0.00 2.91 3.04 0.00 0.00 6.81 7.10 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 0.00 109 Q 8.66 3.92 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 110 A 8.33 4.00 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 0.00 111 L 7.89 3.99 0.00 1.95 1.80 1.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.23 4.09 0.00 1.87 1.75 0.94 1.26 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 0.00 113 D 8.48 4.35 0.00 2.90 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 0.00 114 L 8.06 4.01 0.00 1.80 1.85 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.16 4.23 0.00 3.37 3.54 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.24 4.14 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 0.00 117 L 8.21 4.06 0.00 1.87 1.87 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.90 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.96 4.06 0.00 4.06 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 0.00 120 A 7.93 3.97 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 0.00 121 R 7.68 4.26 0.00 1.81 1.94 0.00 3.42 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 122 T 7.23 3.47 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 1.24 0.00 0.00 123 D 8.75 4.84 0.00 2.75 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 0.00 124 P 0.00 4.31 0.00 2.34 2.32 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 125 H 8.24 4.14 0.00 3.24 3.34 0.00 5.67 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 0.00 126 L 8.14 4.07 0.00 2.01 1.91 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 127 C 8.03 4.21 0.00 3.20 3.03 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 0.00 128 D 8.55 4.35 0.00 2.84 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 0.00 129 F 8.41 4.16 0.00 3.16 3.33 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 0.00 130 L 8.34 4.23 0.00 2.09 1.84 1.08 1.02 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 0.00 131 E 8.48 3.98 0.00 2.19 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 2.32 2.58 0.00 132 T 7.74 3.69 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 0.83 0.00 0.00 133 H 7.62 4.30 0.00 2.43 2.74 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.76 4.65 0.00 3.18 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 0.00 135 L 8.41 4.04 0.00 1.65 1.75 0.85 1.02 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 D 7.55 4.32 0.00 2.71 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 0.00 137 E 8.17 3.97 0.00 2.12 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 2.32 2.26 0.00 138 E 8.21 4.07 0.00 2.27 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 2.66 2.63 0.00 139 V 7.62 3.59 2.20 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 1.13 0.00 0.00 1.02 0.00 0.00 140 K 8.04 3.92 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.68 7.81 141 L 7.96 4.00 0.00 1.89 1.71 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.91 3.77 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.95 0.00 0.00 143 K 8.34 3.90 0.00 1.91 2.06 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 144 K 8.28 4.03 0.00 1.98 2.00 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 145 M 8.60 4.39 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.85 0.00 146 G 8.44 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 0.00 147 D 8.16 4.33 0.00 2.73 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 0.00 148 H 8.01 4.13 0.00 3.30 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.07 4.03 0.00 1.98 1.76 1.00 0.62 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 0.00 150 T 7.89 3.87 4.39 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 1.20 0.00 0.00 151 N 8.39 4.41 0.00 2.71 2.84 0.00 0.00 7.09 6.36 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 0.00 152 L 8.10 4.02 0.00 1.82 1.76 0.94 1.00 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 0.00 153 H 8.47 4.28 0.00 3.29 3.44 0.00 5.60 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 0.00 154 R 7.95 3.94 0.00 1.93 2.12 0.00 3.31 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 155 L 7.58 4.32 0.00 1.84 1.70 0.91 1.00 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 0.00 156 G 8.04 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