NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2766 8.3344 115.2834 58.0264 64.3168 174.0797 5 V 3.3985 7.7549 120.1951 62.0975 31.5478 169.6533 6 V 4.1208 9.0914 128.6549 61.6517 33.6017 174.5212 7 K 4.7610 8.1580 124.6855 54.3394 35.2162 177.5263 8 S 4.2576 8.5578 116.6498 61.6664 62.9174 176.6496 9 E 4.1547 8.1163 116.5304 58.5047 29.7752 176.9077 10 D 4.6878 8.0452 120.0105 54.4195 40.8763 177.6536 11 Y 4.1336 7.6392 119.9087 60.0389 37.7781 177.2782 12 A 4.1867 6.9759 119.9890 52.4857 18.7778 176.6458 13 L 4.6895 7.3247 116.1568 51.8224 43.7643 174.8481 14 P 4.3071 0.0000 0.0000 63.1913 31.6987 175.7158 15 S 4.8369 8.2303 115.0751 56.2717 66.2440 172.4998 16 Y 4.2757 8.3642 121.0598 57.1149 39.3663 174.7555 17 V 4.3321 6.8067 117.5364 60.0362 35.7048 174.2010 18 D 4.7150 8.5838 123.7111 52.9215 41.0121 176.3300 19 R 4.5514 7.9859 122.8785 54.1275 33.8860 176.9947 20 R 3.3673 8.5963 121.9424 58.6052 30.2128 177.1077 21 D 4.7566 7.9746 114.6105 53.5927 40.8884 175.6239 22 Y 4.8519 8.0198 121.0061 55.8325 38.5067 174.1570 23 P 4.4508 0.0000 0.0000 64.7643 32.2874 177.3778 24 L 4.7086 6.7678 118.9264 51.6164 41.1361 174.0568 25 P 4.6503 0.0000 0.0000 62.1356 32.2056 177.1293 26 D 4.5579 8.6071 117.4942 56.5167 40.9590 176.9426 27 V 4.5383 7.3436 109.8499 59.0327 35.7726 174.7455 28 A 4.2685 8.2937 124.0202 52.0428 19.0776 177.3377 29 H 3.6941 9.0481 121.9407 58.5533 29.8886 175.8669 30 V 4.0637 7.6059 119.7257 60.8444 32.1243 175.1405 31 K 4.1360 8.5840 126.9417 58.0504 33.4352 176.5568 32 N 4.8186 7.8963 116.7575 51.1788 39.8523 174.0089 33 L 4.4531 8.2426 123.8009 53.2184 43.3200 177.4431 34 S 4.3126 8.3913 117.3564 58.0813 64.9546 175.2792 35 A 3.9940 8.5172 124.3217 55.5948 18.0417 180.2516 36 S 4.1390 8.0081 112.1095 61.3415 63.1762 176.3512 37 Q 3.9728 8.0083 121.7023 58.9533 28.5427 178.9718 38 K 3.8601 8.5645 119.3424 59.6767 31.8007 179.2429 39 A 4.0409 7.9644 120.7870 54.6516 18.2421 179.0964 40 L 4.1504 8.6025 119.5400 58.6522 41.8426 179.4906 41 K 3.9983 7.9989 116.8565 59.4567 32.2529 178.9335 42 E 4.0964 8.2157 118.7441 59.3651 29.3510 178.9494 43 K 3.8416 9.0984 120.5034 59.9289 31.9741 178.0864 44 E 3.7098 8.4851 118.2549 59.1721 29.5248 178.5318 45 K 4.1898 8.2150 116.8423 58.4367 32.4445 176.3198 46 A 4.5725 8.5834 123.1825 49.9709 21.5232 175.9991 47 S 4.0255 8.3671 111.5346 58.5209 62.9636 175.8152 48 W 4.6674 8.6084 127.0049 59.5931 29.1615 178.4756 49 S 4.2808 8.1588 114.0596 61.2010 62.2637 175.1900 50 S 4.5594 7.9118 114.4417 58.5339 62.8879 174.0785 51 L 4.6639 7.5137 121.2214 53.8089 42.5929 177.3866 52 S 4.5524 9.4173 117.9666 57.4968 65.5541 175.4666 53 I 3.6614 8.2505 122.5190 64.9902 36.7702 178.4110 54 D 4.5635 8.0324 118.8601 57.1188 40.7372 178.5424 55 E 4.0155 8.0946 119.3726 59.1165 29.4675 179.4486 56 K 3.8953 8.3281 118.8533 59.5286 32.1518 179.5008 57 V 3.6307 8.2415 118.9080 65.9313 31.2361 177.3481 58 E 4.1579 8.1673 118.4547 58.2626 29.1966 178.3332 59 L 3.9763 8.4982 119.8506 57.7118 41.7265 178.6784 60 Y 4.1024 8.1552 119.4001 60.9538 38.6869 178.4138 61 R 4.4651 8.1180 118.1517 58.0531 30.3082 178.4311 62 L 4.1457 7.7395 119.1896 56.7163 41.7128 178.7570 63 K 3.6637 7.4426 118.3025 56.9785 31.9469 176.4017 64 F 5.3154 7.2103 116.1792 55.4790 41.9914 174.9212 65 K 3.6296 8.7262 124.6163 57.3273 32.3781 176.3798 66 E 5.0274 8.9283 118.5493 54.2685 32.2210 176.3054 67 S 4.9990 9.4165 118.7208 57.3518 65.1822 175.3983 68 F 3.8009 9.2191 120.7938 60.9346 38.4259 177.5704 69 A 4.0419 8.2071 117.9822 55.4815 18.3547 179.1994 70 E 4.0830 8.0247 116.7655 59.8740 29.4661 179.5705 71 M 4.3741 8.2165 117.0025 57.1880 31.4209 177.1882 72 N 4.6840 8.0213 115.9220 52.1482 39.3262 175.4685 73 R 4.0991 7.2359 118.1936 56.0103 30.1676 176.6836 74 S 4.5798 8.3493 114.7317 57.8649 64.4442 172.8368 75 T 4.7518 8.0555 110.3022 60.5517 71.7411 173.3180 76 N 4.7072 8.4460 116.5434 53.3288 38.9921 176.5449 77 E 3.9172 8.2125 122.3097 59.1633 29.4409 178.8026 78 W 4.3117 8.3042 116.2279 59.6621 27.8891 178.3898 79 K 3.1836 7.0256 119.0847 59.2524 31.3206 179.4895 80 T 3.8210 7.5420 115.5631 66.3673 68.3805 176.8851 81 V 3.5937 7.9889 120.3356 66.0756 31.6732 178.3437 82 V 3.8006 8.1916 118.3466 66.0706 31.3490 178.2750 83 G 3.6304 8.3081 105.3203 47.5680 0.0000 175.6839 84 A 4.1558 8.3869 123.0274 54.9452 18.3562 179.5736 85 A 4.1512 8.3689 119.4028 55.6621 18.4567 179.6796 86 M 4.0426 8.3291 117.2381 58.5230 31.9949 178.7044 87 F 3.9737 8.5682 121.0001 61.5039 39.6694 177.2967 88 F 3.9063 8.5783 117.2035 60.1356 38.4294 177.9427 89 I 3.8781 8.0490 119.5478 64.2883 36.7625 178.2565 90 G 3.6504 8.3945 107.0345 47.7610 0.0000 175.3794 91 F 3.9103 8.0394 123.4605 61.2442 39.2565 177.2538 92 T 3.7534 7.8820 115.0708 66.6206 68.1756 176.3504 93 A 4.0057 7.6442 121.8905 54.9939 18.2236 179.6580 94 L 3.8589 7.4182 117.2123 57.8033 41.6036 179.6615 95 L 3.8772 7.2646 118.3973 57.7681 41.5697 179.4491 96 L 4.0519 7.9093 118.8941 57.7224 41.5628 179.5076 97 I 3.6865 8.0837 120.1734 64.1803 36.9994 178.0960 98 W 4.1866 8.4884 129.4001 60.6629 30.4736 177.6297 99 E 3.8861 8.5229 119.2008 59.0191 28.8514 178.5599 100 K 4.0713 8.0135 119.0028 59.7631 32.3110 178.0103 101 H 4.0226 7.8427 117.4436 58.6809 29.9159 175.9624 102 Y 4.2130 7.4767 115.5054 57.4690 39.0289 176.4890 103 V 4.0035 7.4395 118.4414 64.2690 32.9929 175.6557 104 Y 4.6350 7.5981 116.1192 57.5714 38.6468 175.6801 105 G 4.1214 8.2929 113.5546 43.4196 0.0000 171.3101 106 P 4.3399 0.0000 0.0000 62.3190 31.9681 176.1073 107 I 3.9866 7.7968 113.9783 59.1851 39.0255 173.6890 108 P 4.4108 0.0000 0.0000 62.7067 31.7998 177.5285 109 H 4.4539 8.5332 115.5080 58.0411 28.6020 177.3138 110 T 2.5488 7.0267 109.4259 63.1125 68.4992 174.6806 111 F 4.4194 7.6908 119.7697 57.5184 39.6513 176.5328 112 E 4.2037 8.1185 121.9785 56.0655 31.2708 177.2443 113 E 4.0013 8.8641 122.8814 59.7168 29.7865 179.0687 114 E 3.9771 8.2292 118.7111 58.8870 29.7870 178.2073 115 W 3.9256 8.3271 128.0505 60.5144 30.6842 177.8418 116 V 3.6718 8.1756 117.8670 65.9943 30.9680 177.8486 117 A 4.0123 7.9936 120.2331 55.0569 18.1479 179.8120 118 K 3.7514 7.9754 116.9355 59.5848 32.0393 179.3144 119 Q 3.8026 8.3294 120.0602 59.5095 28.9246 178.5723 120 T 3.9786 8.1484 117.0432 66.4083 68.5184 176.4544 121 K 3.5791 7.9536 121.5084 59.5704 32.1477 178.8014 122 R 3.9378 8.1446 119.1197 59.6260 29.8381 178.3976 123 M 4.0500 8.2964 118.8726 58.3147 31.9237 178.7439 124 L 4.1702 8.0598 119.2397 57.8129 41.5160 179.1715 125 D 4.4788 8.4816 118.7353 57.0970 40.8377 177.7545 126 M 4.2823 8.2915 115.0326 54.2925 32.1109 175.9671 127 K 4.0927 7.9019 117.6209 55.7976 30.5724 176.0076 128 V 3.3693 8.2250 117.4063 65.1095 32.3853 174.8873 129 A 3.9215 8.7028 126.9127 52.9987 15.3969 175.0312 130 P 4.6139 0.0000 0.0000 63.6868 32.7778 178.6355 131 I 4.1716 7.7949 119.2027 63.4374 37.7387 176.3225 132 Q 4.5452 7.9617 114.1624 57.0402 33.6755 176.3434 133 G 3.8314 8.3438 105.7469 47.8689 0.0000 173.2091 134 F 4.7807 8.2003 121.0488 58.8773 43.4769 176.1137 135 S 4.3551 9.4955 117.2697 61.6105 63.4336 176.8099 136 A 4.1142 8.3519 122.0093 54.8218 18.2370 177.9583 137 K 4.4927 8.8735 114.1536 56.0922 32.5621 175.6796 138 W 4.6461 8.1348 129.4976 55.2622 32.6205 174.7562 139 D 4.4995 7.5803 125.3096 52.8746 40.3560 176.6173 140 Y 4.1891 8.5312 125.2784 60.5552 38.4807 177.4770 141 D 4.4592 8.2628 119.1132 57.4495 41.0854 177.5126 142 K 4.0486 8.7521 115.3222 55.9973 32.3915 176.4410 143 N 3.9396 7.5245 116.8275 53.4469 37.9336 172.3719 144 E 3.8123 5.9000 112.7198 54.0637 33.6197 175.0507 145 W 4.6377 7.9913 120.0846 56.7966 29.5670 176.6609 146 K 4.0818 9.0375 124.2026 56.2852 32.4554 177.4859 147 K 4.1455 8.4440 121.4184 56.8347 32.1336 177.0452 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 4 S 8.33 4.28 0.00 3.80 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 5 V 7.75 3.40 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 0.79 0.00 0.00 0.93 0.00 0.00 6 V 9.09 4.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.02 0.00 0.00 7 K 8.16 4.76 0.00 1.99 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.36 7.81 8 S 8.56 4.26 0.00 3.93 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 9 E 8.12 4.15 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 10 D 8.05 4.69 0.00 2.92 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 11 Y 7.64 4.13 0.00 2.97 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 6.98 4.19 0.98 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 0.00 0.00 13 L 7.32 4.69 0.00 1.76 1.57 0.88 1.03 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 14 P 0.00 4.31 0.00 2.06 2.03 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 15 S 8.23 4.84 0.00 3.98 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 16 Y 8.36 4.28 0.00 3.05 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 17 V 6.81 4.33 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 0.67 0.00 0.00 0.85 0.00 0.00 18 D 8.58 4.72 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 19 R 7.99 4.55 0.00 1.91 1.97 0.00 3.08 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 20 R 8.60 3.37 0.00 1.85 2.04 0.00 3.17 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 21 D 7.97 4.76 0.00 2.83 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 22 Y 8.02 4.85 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.45 0.00 2.29 2.44 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 24 L 6.77 4.71 0.00 1.66 1.64 0.94 1.21 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 25 P 0.00 4.65 0.00 1.99 2.03 0.00 4.06 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 26 D 8.61 4.56 0.00 2.90 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 27 V 7.34 4.54 2.13 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 0.76 0.00 0.00 1.10 0.00 0.00 28 A 8.29 4.27 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 29 H 9.05 3.69 0.00 2.35 3.29 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.61 4.06 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 0.77 0.00 0.00 0.65 0.00 0.00 31 K 8.58 4.14 0.00 1.87 1.88 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.42 7.81 32 N 7.90 4.82 0.00 2.69 2.76 0.00 0.00 6.88 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.24 4.45 0.00 1.61 1.56 0.90 0.91 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 34 S 8.39 4.31 0.00 4.03 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 35 A 8.52 3.99 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 36 S 8.01 4.14 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.01 3.97 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 38 K 8.56 3.86 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 39 A 7.96 4.04 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 40 L 8.60 4.15 0.00 1.83 1.97 0.94 0.92 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 41 K 8.00 4.00 0.00 1.92 1.88 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.62 7.81 42 E 8.22 4.10 0.00 2.16 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 2.48 2.47 0.00 43 K 9.10 3.84 0.00 1.79 1.99 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.52 7.81 44 E 8.49 3.71 0.00 2.07 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 2.70 2.65 0.00 45 K 8.21 4.19 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.29 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.58 7.81 46 A 8.58 4.57 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 47 S 8.37 4.03 0.00 3.81 3.76 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 48 W 8.61 4.67 0.00 3.55 3.10 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 49 S 8.16 4.28 0.00 3.92 3.97 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 50 S 7.91 4.56 0.00 4.02 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 51 L 7.51 4.66 0.00 1.93 1.63 1.02 0.86 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 52 S 9.42 4.55 0.00 4.01 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 53 I 8.25 3.66 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 1.64 0.78 0.90 0.00 0.00 54 D 8.03 4.56 0.00 2.73 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 55 E 8.09 4.02 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 56 K 8.33 3.90 0.00 2.00 1.82 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.54 7.81 57 V 8.24 3.63 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 1.02 0.00 0.00 0.91 0.00 0.00 58 E 8.17 4.16 0.00 2.26 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 0.00 2.30 2.50 0.00 59 L 8.50 3.98 0.00 1.81 1.64 0.83 0.67 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 60 Y 8.16 4.10 0.00 3.17 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 61 R 8.12 4.47 0.00 1.91 2.07 0.00 3.47 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.77 0.00 62 L 7.74 4.15 0.00 1.68 1.62 0.89 1.09 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 63 K 7.44 3.66 0.00 1.49 0.96 0.00 1.10 0.00 0.00 1.32 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 F 7.21 5.32 0.00 2.70 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 65 K 8.73 3.63 0.00 0.86 1.88 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.07 7.81 66 E 8.93 5.03 0.00 2.17 1.96 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 2.26 2.25 0.00 67 S 9.42 5.00 0.00 4.01 3.97 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 68 F 9.22 3.80 0.00 3.07 3.23 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 69 A 8.21 4.04 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 70 E 8.02 4.08 0.00 2.20 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 2.35 2.34 0.00 71 M 8.22 4.37 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 72 N 8.02 4.68 0.00 2.80 2.90 0.00 0.00 7.01 8.35 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 73 R 7.24 4.10 0.00 1.95 2.15 0.00 3.07 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 74 S 8.35 4.58 0.00 4.06 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 75 T 8.06 4.75 4.27 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 1.24 0.00 0.00 76 N 8.45 4.71 0.00 2.69 2.67 0.00 0.00 6.46 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 77 E 8.21 3.92 0.00 2.08 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 2.33 2.33 0.00 78 W 8.30 4.31 0.00 3.59 3.31 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 79 K 7.03 3.18 0.00 1.39 1.33 0.00 1.20 0.00 0.00 1.22 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.54 3.82 4.32 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 1.19 0.00 0.00 81 V 7.99 3.59 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 82 V 8.19 3.80 2.35 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 1.11 0.00 0.00 1.22 0.00 0.00 83 G 8.31 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 84 A 8.39 4.16 1.58 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 85 A 8.37 4.15 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 86 M 8.33 4.04 0.00 2.16 2.46 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 87 F 8.57 3.97 0.00 3.18 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 88 F 8.58 3.91 0.00 3.26 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 89 I 8.05 3.88 2.03 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 1.51 0.65 0.94 0.00 0.00 90 G 8.39 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 91 F 8.04 3.91 0.00 2.51 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 92 T 7.88 3.75 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 93 A 7.64 4.01 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 94 L 7.42 3.86 0.00 1.38 1.55 0.89 0.61 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 95 L 7.26 3.88 0.00 1.77 1.62 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.91 4.05 0.00 1.87 1.74 0.93 0.89 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 97 I 8.08 3.69 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.92 0.00 0.00 98 W 8.49 4.19 0.00 3.47 3.40 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 99 E 8.52 3.89 0.00 2.25 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 1.61 1.97 0.00 100 K 8.01 4.07 0.00 1.85 1.97 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.48 7.81 101 H 7.84 4.02 0.00 2.93 2.98 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.48 4.21 0.00 1.60 2.34 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 0.00 103 V 7.44 4.00 1.83 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 0.63 0.00 0.00 0.86 0.00 0.00 104 Y 7.60 4.63 0.00 3.10 2.66 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 0.00 105 G 8.29 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 0.00 0.00 0.00 0.00 106 P 0.00 4.34 0.00 2.15 2.02 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 107 I 7.80 3.99 1.49 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.57 0.00 0.00 108 P 0.00 4.41 0.00 2.29 1.94 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 109 H 8.53 4.45 0.00 3.25 3.45 0.00 5.65 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 0.00 110 T 7.03 2.55 3.53 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 0.08 0.00 0.00 111 F 7.69 4.42 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.12 4.20 0.00 2.27 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 2.39 2.46 0.00 113 E 8.86 4.00 0.00 2.08 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 2.43 2.43 0.00 114 E 8.23 3.98 0.00 2.12 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 2.39 2.37 0.00 115 W 8.33 3.93 0.00 3.56 3.17 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 0.00 116 V 8.18 3.67 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 1.13 0.00 0.00 1.08 0.00 0.00 117 A 7.99 4.01 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 0.00 118 K 7.98 3.75 0.00 1.61 1.52 0.00 1.44 0.00 0.00 1.31 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.45 7.81 119 Q 8.33 3.80 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 120 T 8.15 3.98 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 1.49 0.00 0.00 121 K 7.95 3.58 0.00 1.65 1.81 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.25 7.81 122 R 8.14 3.94 0.00 1.78 1.93 0.00 3.06 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 123 M 8.30 4.05 0.00 1.90 2.31 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 124 L 8.06 4.17 0.00 1.44 1.18 -0.49 0.75 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 0.00 125 D 8.48 4.48 0.00 2.75 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 0.00 126 M 8.29 4.28 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 127 K 7.90 4.09 0.00 1.95 1.94 0.00 1.55 0.00 0.00 1.18 0.00 0.00 2.55 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.58 1.27 7.81 128 V 8.23 3.37 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 0.77 0.00 0.00 0.88 0.00 0.00 129 A 8.70 3.92 1.49 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 0.00 130 P 0.00 4.61 0.00 2.23 2.36 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 131 I 7.79 4.17 1.91 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 1.44 0.47 0.94 0.00 0.00 132 Q 7.96 4.55 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 133 G 8.34 3.83 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 0.00 0.00 0.00 134 F 8.20 4.78 0.00 3.17 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 9.50 4.36 0.00 4.23 4.30 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 0.00 136 A 8.35 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.87 4.49 0.00 2.07 1.97 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.44 7.81 138 W 8.13 4.65 0.00 2.88 2.78 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 0.00 139 D 7.58 4.50 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.53 4.19 0.00 3.04 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 0.00 141 D 8.26 4.46 0.00 2.79 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 K 8.75 4.05 0.00 1.65 1.68 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.29 7.81 143 N 7.52 3.94 0.00 2.77 2.73 0.00 0.00 6.90 7.61 0.00 0.00 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 E 5.90 3.81 0.00 1.75 1.69 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 2.01 1.94 0.00 145 W 7.99 4.64 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 9.04 4.08 0.00 1.74 1.75 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81 147 K 8.44 4.15 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.40 7.81