NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2221 8.1633 120.2786 54.7187 33.3133 174.2558 2 K 4.0279 8.4861 126.1322 56.1119 32.4986 175.6936 3 G 3.9627 8.6287 113.5766 44.7799 0.0000 172.0919 4 D 4.5857 8.4538 119.5898 54.2929 41.9905 177.1263 5 T 3.8693 8.8467 122.7524 66.8177 68.5419 176.6959 6 K 3.8556 8.1670 120.9947 59.1245 32.1850 178.8160 7 V 3.8997 8.6927 119.0680 66.1940 31.4209 177.8972 8 I 3.7261 7.7544 119.3601 64.7277 36.8977 178.1584 9 N 4.3024 8.2554 117.0606 56.3290 38.3005 177.1246 10 Y 4.0665 8.0556 118.1419 61.1087 38.0613 178.3973 11 L 3.9168 8.7018 120.2505 58.1956 41.7179 179.5512 12 N 4.4002 8.5438 116.5428 55.9660 38.3863 177.5177 13 K 3.8656 8.1962 121.4026 59.3684 32.3483 178.8797 14 L 3.7990 8.2022 119.6130 57.6498 41.4112 178.9996 15 L 3.9419 7.8786 120.6158 58.2888 41.8618 179.2628 16 G 3.6126 8.1261 105.5139 47.8641 0.0000 175.3757 17 N 4.3442 8.0154 118.8211 56.1776 38.5809 177.3141 18 E 4.0940 8.2953 119.8924 59.6087 29.0759 179.5283 19 L 4.2182 8.2668 118.8146 57.3861 41.5298 180.0222 20 V 3.6290 7.7280 112.3202 64.1842 31.4511 178.1124 21 A 3.8550 8.1030 120.5525 55.2582 18.2001 179.5842 22 I 3.7599 8.2094 118.4938 64.8225 37.1765 178.4933 23 N 4.3977 7.8278 116.0523 56.4459 38.4561 177.4211 24 Q 3.8390 8.3742 121.3288 59.2367 29.0876 177.9360 25 Y 4.3233 8.2181 117.9895 60.9115 37.9824 177.6971 26 F 3.7887 8.4630 121.6312 61.1172 39.4399 176.8340 27 L 3.9116 8.2764 119.9466 58.5150 41.8772 178.3537 28 H 3.7638 8.1033 115.7848 58.8680 28.6229 177.0914 29 A 4.1431 8.3574 122.5759 55.8409 18.1085 180.0167 30 R 3.7873 7.7093 115.3952 58.7154 30.0930 179.3341 31 M 3.3967 7.7762 119.4577 58.1781 31.8983 178.5038 32 F 4.6280 7.6180 118.2206 60.5292 39.0435 177.7206 33 K 3.9392 8.2851 119.2669 59.4982 31.8352 178.0237 34 N 4.2222 7.8742 116.0789 56.7945 38.9088 176.2442 35 W 4.7651 7.8332 116.5622 57.4308 29.2957 177.2937 36 G 4.0209 8.3126 107.9377 45.8514 0.0000 175.2050 37 L 4.4814 8.0175 121.8058 53.2209 38.0363 177.1661 38 K 3.8616 7.9581 122.5925 59.7880 32.5573 177.5770 39 R 3.9277 8.2833 119.1056 59.2745 29.9878 178.4440 40 L 4.1390 7.7708 118.3341 57.2956 41.5820 178.7920 41 N 4.4346 8.0976 116.9511 56.7456 38.9677 176.4881 42 D 4.3268 7.9792 120.2660 57.4630 40.9951 179.1510 43 V 3.3263 7.6324 118.3033 66.0853 31.5004 177.9460 44 E 3.7561 8.3275 118.4283 59.2697 29.2665 178.5922 45 Y 3.8969 8.1263 119.7157 61.2178 38.8727 178.1817 46 H 4.2030 8.2223 116.3875 58.3046 28.6718 177.5963 47 E 3.6774 7.7643 120.9202 58.6457 29.1502 178.7387 48 S 4.0968 8.0157 113.7688 61.6018 62.3655 176.2635 49 I 3.5461 7.2655 122.1348 64.4616 36.8278 177.8488 50 D 4.2760 7.8076 119.5149 57.7795 40.6429 179.1536 51 E 4.1914 8.3119 118.6311 59.4434 29.3419 179.3577 52 M 4.0608 8.1755 119.0561 58.3193 32.0014 178.8100 53 K 3.9294 8.1129 118.7194 59.6846 32.1840 179.0911 54 H 4.0844 8.2038 116.1661 58.8217 28.6123 177.5319 55 A 4.2525 8.3211 122.7378 55.3968 18.1477 178.9734 56 D 4.3097 8.2939 116.4700 57.7326 41.2374 178.8209 57 R 3.8537 7.8320 118.3269 59.4402 30.0410 178.6057 58 Y 4.3047 7.8403 116.4345 61.2453 37.8734 178.8481 59 I 3.7907 8.2482 120.9709 64.6185 37.2394 178.4671 60 E 4.0540 8.5210 119.5382 59.0431 29.2182 179.5156 61 R 4.0070 8.1153 118.9757 59.5362 30.2247 178.2823 62 I 3.7405 8.3954 119.9420 64.7039 37.1533 178.3202 63 L 4.0280 8.1554 119.4924 57.7652 41.2142 179.4561 64 F 4.3712 8.1464 119.5651 61.2821 39.7499 176.6535 65 L 4.2781 8.3916 117.2619 54.0407 40.9529 177.1747 66 E 3.7823 8.0057 117.5226 57.4439 27.2316 174.4471 67 G 3.9797 8.1978 108.5697 43.9721 0.0000 173.5197 68 L 4.5234 8.0384 119.1403 52.0406 42.0539 175.1787 69 P 4.3770 0.0000 0.0000 62.5885 31.7533 175.9316 70 N 4.7096 9.5891 122.2897 52.4107 38.7119 173.8859 71 L 4.6001 8.2953 124.2092 54.5503 42.3888 177.5753 72 Q 4.1142 8.6281 122.2887 58.2582 29.3112 175.9579 73 D 4.6984 8.0284 116.6753 52.8333 42.0263 175.2972 74 L 4.5829 8.2590 125.0968 52.7328 44.1095 176.5817 75 G 3.8052 8.4647 115.4155 44.8516 0.0000 171.7408 76 K 4.1084 8.3121 120.6950 55.7124 32.4584 176.6145 77 L 4.0904 8.3830 126.8651 54.3990 42.2624 176.0985 78 N 4.8194 8.6690 121.6523 51.9795 39.8535 174.2462 79 I 3.8831 8.4971 126.5665 63.9646 37.7762 177.9450 80 G 4.3543 8.1750 103.0643 45.5040 0.0000 172.8636 81 E 4.7297 8.7590 117.6017 56.0190 31.1731 176.0506 82 D 4.9193 7.6666 118.1434 50.3205 44.0167 175.9122 83 V 4.0339 8.5528 119.3202 66.5771 31.3122 177.6227 84 E 3.8312 8.1655 117.9734 59.4453 29.4574 178.0813 85 E 3.9968 8.4899 119.5226 59.4947 29.5933 178.6823 86 M 4.1142 8.3075 117.0702 58.1409 31.4914 178.4878 87 L 4.1527 8.5167 120.5743 57.7225 41.8425 179.5466 88 R 3.8941 8.4777 118.9662 59.3239 30.0106 178.5762 89 S 4.1366 8.1432 113.2318 61.2630 62.3674 175.7156 90 D 4.2318 8.2115 121.7167 57.2627 40.5190 178.4725 91 L 4.0013 8.2543 120.6225 58.3341 42.0606 178.9769 92 A 3.9915 8.0973 120.5756 54.9327 18.2522 179.4093 93 L 3.8922 7.8133 118.9335 58.2588 42.0725 179.1244 94 E 4.0447 8.4299 118.6218 59.4779 29.6055 179.1528 95 L 4.0164 8.1859 119.2023 58.1632 41.7170 179.4863 96 D 4.5206 8.4910 118.9344 57.2174 40.6401 179.0956 97 G 3.6331 8.3326 106.2424 47.6051 0.0000 175.7239 98 A 4.0224 8.3868 123.4568 54.6626 18.5001 179.3940 99 K 3.8156 7.9636 117.8368 60.0098 32.2994 178.5381 100 N 4.3761 8.1310 116.4097 56.4193 38.4562 177.3854 101 L 3.9930 8.1354 120.3255 57.9418 41.6530 179.6912 102 R 3.9119 8.3372 118.3519 59.2462 29.9749 178.8143 103 E 3.8631 8.0884 118.3303 59.2407 29.6845 178.7373 104 A 2.8528 7.7936 120.7913 54.7491 18.3190 179.7157 105 I 3.7596 7.8949 118.6081 64.4163 36.9437 178.8830 106 G 3.5971 7.6124 105.4005 47.8741 0.0000 174.8757 107 Y 4.1078 7.7127 121.2278 60.2036 38.8788 177.1998 108 A 3.7979 8.3294 122.2287 55.4479 18.5316 179.0720 109 D 4.0891 7.9438 116.4251 57.2827 41.0641 178.3023 110 S 4.2048 7.4781 113.0652 59.8627 63.3851 175.7025 111 V 3.9747 6.8389 114.0126 60.7214 31.5878 175.5091 112 H 2.7466 6.9699 113.8046 56.7189 26.9277 176.4534 113 D 4.5214 7.3489 121.1455 53.4877 37.7084 176.2197 114 Y 4.2691 7.4086 121.0704 60.6898 38.4011 178.1392 115 V 3.8134 7.8527 113.1487 64.1045 31.8190 178.3828 116 S 4.1624 8.3181 114.9782 61.5861 62.6056 176.6190 117 R 3.8782 8.1749 121.2962 59.5150 29.8286 177.9451 118 D 4.3047 8.4872 118.0366 57.6892 41.3524 177.6976 119 M 3.9689 8.2406 118.7704 59.1548 32.0502 178.1476 120 M 4.1285 8.2288 118.7644 58.3815 32.1532 178.7737 121 I 3.7214 8.1057 120.3248 64.3049 37.3504 178.3203 122 E 3.9625 8.1916 119.4566 59.4349 29.3012 179.4038 123 I 3.5440 7.5617 119.5692 64.2516 37.0679 178.1031 124 L 3.9437 8.1886 121.4490 58.2741 42.0059 178.8969 125 R 3.8770 8.0888 118.4776 59.6981 29.9715 178.2507 126 D 4.3554 7.9572 118.2886 57.3214 40.7557 178.6176 127 E 3.9979 8.2485 119.2706 59.3027 29.3785 178.9791 128 E 4.1175 8.6280 119.9222 59.0383 29.7032 178.9905 129 G 3.7008 7.9993 105.4420 48.2579 0.0000 175.2409 130 H 4.4314 8.1887 118.9087 58.6970 28.6804 177.8649 131 I 3.8156 8.3587 121.9480 64.4924 36.9222 177.7963 132 D 4.3844 8.4600 118.9937 57.1968 41.0310 178.2688 133 W 4.1144 8.4365 128.6267 60.4419 30.7243 177.8023 134 L 3.7527 8.4229 119.0230 57.9406 41.1568 179.3543 135 E 3.9075 8.4922 118.6472 59.7190 29.3397 179.6476 136 T 3.7875 7.9621 115.6372 66.5681 68.5375 176.4099 137 E 3.7550 7.6336 120.3009 59.4754 29.1404 179.3681 138 L 3.7771 7.7794 118.8888 58.0183 41.5638 179.5166 139 D 4.3615 8.0980 118.6207 57.2600 40.6608 178.7025 140 L 3.9630 8.2224 119.9432 57.8138 41.5633 179.5601 141 I 3.4200 7.4406 119.7048 64.4227 36.7307 178.5384 142 Q 3.9280 7.3594 116.2898 58.8389 28.6509 178.5571 143 K 4.1290 8.1562 118.9260 59.0761 32.2611 178.5312 144 M 4.3769 8.3856 114.8506 54.1424 32.4372 177.4087 145 G 4.0838 7.5756 105.0238 45.8109 0.0000 174.4089 146 L 3.9702 8.3595 120.7144 57.9908 42.1651 179.2292 147 Q 3.9925 8.0287 117.4618 59.2747 28.8424 178.4565 148 N 4.3512 8.1800 116.8271 56.4081 38.3532 176.6622 149 Y 3.9454 7.8980 119.9979 60.6626 39.1374 177.8437 150 L 4.0957 8.3705 120.2339 57.9576 41.5863 179.2911 151 Q 3.9046 8.2016 119.1347 59.0400 28.7280 177.8302 152 A 4.0997 7.6179 119.8061 53.5878 18.6266 178.2415 153 Q 4.3280 7.8681 116.0051 55.6081 29.1787 177.5758 154 I 3.8863 7.3620 121.8802 63.3677 37.4306 176.6277 155 R 4.6552 7.5492 117.9694 53.7075 32.3539 175.6051 156 E 4.1271 8.7225 118.8120 56.6700 29.5903 176.6545 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 M 8.16 4.22 0.00 1.50 1.76 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.49 4.03 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.63 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 4 D 8.45 4.59 0.00 2.77 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 5 T 8.85 3.87 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 1.18 0.00 0.00 6 K 8.17 3.86 0.00 1.71 1.96 0.00 1.42 0.00 0.00 0.97 0.00 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.02 7.81 7 V 8.69 3.90 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 1.13 0.00 0.00 1.21 0.00 0.00 8 I 7.75 3.73 2.05 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 1.55 0.63 0.92 0.00 0.00 9 N 8.26 4.30 0.00 2.48 2.69 0.00 0.00 7.08 7.02 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 10 Y 8.06 4.07 0.00 3.30 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 11 L 8.70 3.92 0.00 2.03 1.80 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.54 4.40 0.00 2.87 2.82 0.00 0.00 6.71 7.62 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 13 K 8.20 3.87 0.00 1.81 1.97 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.20 3.80 0.00 0.97 1.13 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.88 3.94 0.00 1.66 1.83 1.02 1.09 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 16 G 8.13 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.02 4.34 0.00 2.97 2.91 0.00 0.00 7.04 7.82 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 18 E 8.30 4.09 0.00 2.26 2.28 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 2.74 2.89 0.00 19 L 8.27 4.22 0.00 1.66 1.73 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.73 3.63 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 0.89 0.00 0.00 0.90 0.00 0.00 21 A 8.10 3.85 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 22 I 8.21 3.76 2.04 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 1.55 1.05 0.90 0.00 0.00 23 N 7.83 4.40 0.00 2.80 2.86 0.00 0.00 6.74 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 24 Q 8.37 3.84 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 25 Y 8.22 4.32 0.00 3.22 2.85 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 0.00 0.00 0.00 0.00 26 F 8.46 3.79 0.00 3.41 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 27 L 8.28 3.91 0.00 1.95 1.58 0.89 1.16 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 28 H 8.10 3.76 0.00 3.54 3.21 0.00 5.72 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 29 A 8.36 4.14 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 30 R 7.71 3.79 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.00 31 M 7.78 3.40 0.00 0.90 1.63 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 2.40 2.12 0.00 32 F 7.62 4.63 0.00 3.30 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 33 K 8.29 3.94 0.00 1.97 1.88 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 7.87 4.22 0.00 2.67 2.69 0.00 0.00 7.35 8.37 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 35 W 7.83 4.77 0.00 3.75 3.16 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 36 G 8.31 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 0.00 0.00 0.00 37 L 8.02 4.48 0.00 2.20 1.68 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 3.86 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.28 3.93 0.00 2.01 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.77 4.14 0.00 1.69 1.11 1.09 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.10 4.43 0.00 3.11 2.99 0.00 0.00 7.09 9.28 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 42 D 7.98 4.33 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.63 3.33 1.76 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 -0.65 0.00 0.00 0.81 0.00 0.00 44 E 8.33 3.76 0.00 2.20 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 2.65 3.12 0.00 45 Y 8.13 3.90 0.00 2.96 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 46 H 8.22 4.20 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.76 3.68 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 1.93 2.02 0.00 48 S 8.02 4.10 0.00 3.96 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 49 I 7.27 3.55 1.85 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.85 0.00 0.00 50 D 7.81 4.28 0.00 2.83 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 51 E 8.31 4.19 0.00 2.17 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 0.00 2.69 2.79 0.00 52 M 8.18 4.06 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.11 3.93 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.20 4.08 0.00 3.56 3.48 0.00 5.65 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 55 A 8.32 4.25 1.44 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 56 D 8.29 4.31 0.00 2.92 2.87 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 0.00 57 R 7.83 3.85 0.00 1.82 1.76 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 58 Y 7.84 4.30 0.00 3.25 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 59 I 8.25 3.79 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 0.95 0.00 0.00 60 E 8.52 4.05 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 2.35 2.64 0.00 61 R 8.12 4.01 0.00 2.15 2.21 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.40 3.74 1.94 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 1.59 0.80 0.98 0.00 0.00 63 L 8.16 4.03 0.00 2.09 1.80 0.95 0.94 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 64 F 8.15 4.37 0.00 3.02 3.32 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 65 L 8.39 4.28 0.00 1.68 1.62 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.78 0.00 2.05 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 2.17 2.28 0.00 67 G 8.20 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 0.00 0.00 0.00 68 L 8.04 4.52 0.00 1.62 1.63 0.92 0.98 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.59 4.71 0.00 2.60 2.81 0.00 0.00 7.11 8.30 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 71 L 8.30 4.60 0.00 1.64 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.63 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.03 4.70 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.58 0.00 1.52 1.50 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.46 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 76 K 8.31 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.38 4.09 0.00 1.64 1.56 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.67 4.82 0.00 2.63 2.70 0.00 0.00 7.23 7.99 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 79 I 8.50 3.88 1.89 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 1.34 0.92 0.94 0.00 0.00 80 G 8.18 4.35 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 0.00 81 E 8.76 4.73 0.00 2.00 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 2.28 2.31 0.00 82 D 7.67 4.92 0.00 2.76 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 83 V 8.55 4.03 2.19 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 1.19 0.00 0.00 1.24 0.00 0.00 84 E 8.17 3.83 0.00 2.02 1.91 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 2.32 2.26 0.00 85 E 8.49 4.00 0.00 2.26 2.15 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 2.35 2.35 0.00 86 M 8.31 4.11 0.00 2.35 1.76 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 87 L 8.52 4.15 0.00 2.00 1.78 1.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.48 3.89 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.14 4.14 0.00 4.06 4.07 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 0.00 0.00 0.00 90 D 8.21 4.23 0.00 3.13 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 91 L 8.25 4.00 0.00 1.81 1.89 0.98 1.05 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 92 A 8.10 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 93 L 7.81 3.89 0.00 1.90 1.81 0.90 0.78 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 94 E 8.43 4.04 0.00 2.28 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 2.61 2.72 0.00 95 L 8.19 4.02 0.00 2.03 1.75 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.49 4.52 0.00 2.70 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 97 G 8.33 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 98 A 8.39 4.02 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 99 K 7.96 3.82 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.13 4.38 0.00 2.98 2.92 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.14 3.99 0.00 2.00 1.74 0.98 1.16 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 0.00 102 R 8.34 3.91 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.09 3.86 0.00 2.08 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 2.37 2.38 0.00 104 A 7.79 2.85 1.04 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 0.00 0.00 105 I 7.89 3.76 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.91 0.00 0.00 106 G 7.61 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 0.00 107 Y 7.71 4.11 0.00 3.16 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 0.00 108 A 8.33 3.80 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 0.00 109 D 7.94 4.09 0.00 2.85 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 0.00 110 S 7.48 4.20 0.00 3.96 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 0.00 111 V 6.84 3.97 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 0.54 0.00 0.00 0.65 0.00 0.00 112 H 6.97 2.75 0.00 3.18 3.30 0.00 5.84 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 0.00 113 D 7.35 4.52 0.00 2.62 2.46 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 0.00 114 Y 7.41 4.27 0.00 3.11 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 0.00 115 V 7.85 3.81 2.14 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 0.91 0.00 0.00 0.98 0.00 0.00 116 S 8.32 4.16 0.00 4.17 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 0.00 117 R 8.17 3.88 0.00 1.95 2.21 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.49 4.30 0.00 2.94 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 0.00 119 M 8.24 3.97 0.00 2.23 2.03 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 2.48 2.45 0.00 120 M 8.23 4.13 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.79 0.00 121 I 8.11 3.72 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.91 0.00 0.00 122 E 8.19 3.96 0.00 2.13 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 2.32 2.34 0.00 123 I 7.56 3.54 1.93 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.69 0.00 0.00 124 L 8.19 3.94 0.00 1.84 1.86 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.09 3.88 0.00 2.03 2.15 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.96 4.36 0.00 3.03 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.25 4.00 0.00 2.16 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 2.57 2.53 0.00 128 E 8.63 4.12 0.00 2.26 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 2.34 2.36 0.00 129 G 8.00 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 0.00 130 H 8.19 4.43 0.00 3.65 3.59 0.00 5.65 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 0.00 131 I 8.36 3.82 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.97 0.00 0.00 132 D 8.46 4.38 0.00 2.96 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 0.00 133 W 8.44 4.11 0.00 3.55 3.48 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 0.00 134 L 8.42 3.75 0.00 1.97 1.75 1.32 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.49 3.91 0.00 2.18 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 2.33 2.47 0.00 136 T 7.96 3.79 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 1.17 0.00 0.00 137 E 7.63 3.76 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.78 3.78 0.00 1.70 1.62 0.89 1.18 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 0.00 139 D 8.10 4.36 0.00 2.78 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 0.00 140 L 8.22 3.96 0.00 1.87 1.85 0.96 0.65 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 0.00 141 I 7.44 3.42 1.71 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.27 0.69 0.00 0.00 142 Q 7.36 3.93 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.16 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.39 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 145 G 7.58 4.08 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 0.00 0.00 0.00 146 L 8.36 3.97 0.00 1.74 1.66 0.93 0.68 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 0.00 147 Q 8.03 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.18 4.35 0.00 2.97 2.89 0.00 0.00 6.66 7.48 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 0.00 149 Y 7.90 3.95 0.00 3.05 3.18 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 0.00 0.00 0.00 0.00 150 L 8.37 4.10 0.00 2.03 1.71 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.20 3.90 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.62 4.10 1.22 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 0.00 0.00 153 Q 7.87 4.33 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 154 I 7.36 3.89 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.66 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.11 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 2.26 2.29 0.00