NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2182 8.1633 120.2927 54.6830 33.1544 174.2447 2 K 3.9240 8.5176 126.3988 56.2394 32.5180 175.7855 3 G 3.9437 8.5898 113.8162 44.9615 0.0000 171.7232 4 D 4.6594 8.4445 119.2793 54.0982 42.0192 177.2038 5 T 3.8557 8.8503 122.8076 66.8585 68.5348 176.6813 6 K 3.7951 8.1589 120.9176 59.2369 32.2435 178.7940 7 V 3.9042 8.6201 118.8762 66.1172 31.4656 178.0222 8 I 3.7390 7.8287 119.4805 64.5534 36.8992 178.0576 9 N 4.2527 8.3338 117.3757 56.4687 38.3259 176.9820 10 Y 4.1070 8.0425 117.9818 61.1262 38.0456 178.5343 11 L 3.8599 8.5097 120.0517 58.1072 41.7247 179.3330 12 N 4.2590 8.6830 116.4331 56.1841 38.2233 177.3875 13 K 3.8560 7.9906 120.1390 59.4232 32.6546 178.4490 14 L 3.9794 8.1269 119.5970 57.6771 41.4282 178.9517 15 L 3.9642 7.8100 120.5729 58.4962 41.7799 179.2101 16 G 3.7111 8.2901 105.4932 48.0413 0.0000 175.3421 17 N 4.3810 8.1751 118.5007 56.2613 38.6143 177.4321 18 E 4.1119 8.1834 119.7990 59.2516 29.6675 179.1346 19 L 4.3462 8.4407 120.1742 58.1942 40.4063 179.7264 20 V 3.6134 7.6698 120.7679 64.5894 31.4332 178.1186 21 A 3.7932 7.9690 121.4734 54.8804 18.2614 179.5986 22 I 3.7634 8.2745 118.6080 64.7149 37.1210 178.5129 23 N 4.3830 7.7593 116.6081 56.3254 38.4086 177.3552 24 Q 3.8315 8.3133 121.3043 59.3802 29.0830 178.0347 25 Y 4.3558 8.2732 118.1185 60.9061 37.9430 178.0033 26 F 3.8503 8.3433 121.5186 61.0988 39.5041 176.6021 27 L 3.9323 8.2693 120.1697 58.7212 41.8077 178.4078 28 H 3.7513 8.2574 115.7139 58.8540 28.6046 177.2551 29 A 4.1596 8.3735 122.5573 55.6671 18.1493 179.9232 30 R 3.7992 7.7626 115.5312 58.6392 30.1308 179.2884 31 M 3.4497 7.6706 119.2434 58.1435 31.8743 178.5007 32 F 4.5414 7.6794 118.2216 60.4889 39.1221 177.5626 33 K 3.8709 8.3238 119.4205 59.5952 31.7894 177.9357 34 N 4.2269 7.9122 115.9480 56.8328 38.9094 176.4079 35 W 4.7357 7.8742 117.4094 57.9173 29.2693 177.2815 36 G 4.0192 8.1558 107.4483 45.6149 0.0000 175.0454 37 L 4.3998 8.0391 121.7732 52.9966 38.1407 177.1575 38 K 3.8332 7.9408 123.0545 60.0809 32.4804 177.3227 39 R 3.9237 8.3441 118.8825 59.1722 29.9038 178.4217 40 L 4.1119 7.8878 118.9002 57.2861 41.5848 178.7394 41 N 4.5201 8.1745 116.6517 56.7911 38.9858 176.2622 42 D 4.3016 8.1490 120.2576 57.5416 40.9268 179.2481 43 V 3.3399 7.4772 118.1278 66.0538 31.4358 178.0049 44 E 3.6906 8.3745 118.4974 59.0900 29.3103 178.6560 45 Y 3.9011 8.0943 119.8359 61.1591 38.9032 178.0905 46 H 4.2070 8.1263 116.6412 58.5169 28.6165 177.6453 47 E 3.6858 7.9272 120.9272 58.7127 29.1408 178.8652 48 S 4.1534 7.9918 113.7973 61.5565 62.3652 176.3557 49 I 3.5492 7.2802 122.0940 64.2694 36.8946 177.5508 50 D 4.2416 7.8160 118.8014 57.8015 40.9526 178.5141 51 E 4.1772 8.4991 118.9286 59.5945 29.3510 179.4586 52 M 4.0661 8.0165 118.9281 58.2620 32.0222 178.7215 53 K 3.8973 8.1820 118.7841 59.7417 32.2192 178.9001 54 H 4.0533 8.0490 115.9166 58.8630 28.6326 177.4231 55 A 4.2360 8.2141 122.4350 55.4847 18.1490 178.9064 56 D 4.3259 8.2426 116.3928 57.7749 41.3204 178.9014 57 R 3.8465 7.8349 118.2226 59.4136 30.0171 178.5864 58 Y 4.3248 7.7026 116.3847 61.2415 37.9219 178.7290 59 I 3.7650 8.2476 120.9915 64.7469 37.2839 178.4490 60 E 4.0995 8.5639 119.2481 58.8341 29.2156 179.5280 61 R 4.0185 7.8996 118.8355 59.4840 30.3182 178.2516 62 I 3.7562 8.4658 119.9632 64.6443 37.1513 178.3636 63 L 4.0578 8.1263 119.5484 57.8221 41.2189 179.4279 64 F 4.4365 8.0620 119.6497 61.1685 39.6912 176.4152 65 L 4.2830 8.3362 117.8272 53.6582 41.1322 176.9605 66 E 3.7271 7.8931 117.4755 57.5075 27.1541 174.5479 67 G 3.9566 8.4335 107.4964 43.9988 0.0000 173.8560 68 L 4.5172 8.0127 119.0209 51.9985 42.0294 175.2422 69 P 4.3940 0.0000 0.0000 62.5495 31.7294 175.9078 70 N 4.6963 9.4665 122.6453 52.4794 38.5946 173.8200 71 L 4.6475 8.3525 124.7256 54.5890 42.2329 177.3987 72 Q 4.2104 8.5428 122.6290 57.4874 29.6047 175.7766 73 D 4.7062 8.0373 117.2265 52.6986 42.0077 175.2419 74 L 4.5770 8.2810 125.3672 52.7142 44.1110 176.3790 75 G 3.7733 8.4806 115.2619 44.7771 0.0000 171.9436 76 K 4.0981 8.3083 120.6632 55.5168 32.1671 176.5670 77 L 4.0135 8.4081 127.1672 54.6708 42.1213 176.2503 78 N 4.8371 8.7681 121.3570 52.0056 40.3534 174.0879 79 I 3.8895 8.5897 126.8670 63.8374 37.7675 178.1524 80 G 4.1750 8.2494 101.9520 45.9262 0.0000 172.5904 81 E 4.7602 8.2811 116.4597 55.7190 31.6448 176.4905 82 D 5.0608 7.6922 117.7671 50.3354 43.9415 176.1252 83 V 4.0334 8.5345 119.0871 66.8384 31.3541 177.3842 84 E 3.8927 8.2588 117.9142 59.3975 29.5057 177.9018 85 E 3.9603 8.6346 119.2596 59.8119 29.6189 179.0763 86 M 4.2042 8.4561 116.9681 58.2711 31.5461 178.3381 87 L 4.1382 8.7701 120.6980 57.7439 41.8577 179.5952 88 R 3.9173 8.5556 118.8658 59.2645 30.0529 178.5456 89 S 4.1017 8.2005 113.0690 61.5675 62.4853 175.7312 90 D 4.3111 8.1598 121.5908 57.3639 40.4743 178.8017 91 L 4.0341 8.2722 120.5283 58.1700 42.1981 178.7684 92 A 3.9847 8.1248 120.7236 54.9987 18.1944 179.4963 93 L 3.9071 7.8276 118.3894 58.3761 42.2833 178.8817 94 E 4.0678 8.2978 118.5342 59.4744 29.5239 179.3533 95 L 4.0543 8.2506 119.1468 58.0613 41.7909 179.4048 96 D 4.5266 8.2767 118.9329 57.1835 40.6962 178.9884 97 G 3.6950 8.4331 105.9995 47.1983 0.0000 175.8423 98 A 4.0276 8.0654 123.3619 54.7760 18.4559 179.3016 99 K 3.7931 7.9063 117.8227 60.0218 32.2064 178.6123 100 N 4.3747 8.0791 116.2033 56.3219 38.3869 177.3693 101 L 3.9734 8.1370 120.3776 57.8162 41.7564 179.7323 102 R 3.8865 8.3441 118.3361 59.1866 29.9112 178.5938 103 E 3.8510 8.0537 118.6054 59.2720 29.5624 178.7429 104 A 2.7686 7.7146 120.5730 54.8084 18.3801 179.4408 105 I 3.6883 8.0004 118.8791 64.6375 37.3291 178.7834 106 G 3.6366 7.8404 105.8495 47.9444 0.0000 175.1454 107 Y 3.9758 7.6577 121.7305 60.1798 38.9264 177.1021 108 A 3.7869 8.1328 122.2192 55.5274 18.3912 179.0116 109 D 4.0473 7.8934 116.3051 57.5171 41.0360 178.6087 110 S 4.1163 7.4165 112.9432 60.4199 63.2028 175.7249 111 V 3.9185 6.7795 114.3001 60.8048 31.4213 176.0644 112 H 2.9644 7.0747 113.9915 56.5719 27.1287 176.4193 113 D 4.5383 7.3065 121.4101 53.5141 37.7439 176.2265 114 Y 4.2615 7.4857 121.3625 60.3645 38.3681 178.0284 115 V 3.7594 7.8359 119.9890 64.5792 31.8499 178.3031 116 S 4.1559 8.5106 115.8637 61.4376 62.6240 176.6268 117 R 3.8796 8.1137 121.1503 59.4986 29.8627 177.9708 118 D 4.3228 8.2959 117.9062 57.6447 41.2401 177.8829 119 M 4.0002 8.3398 118.8944 58.9179 32.1314 178.0482 120 M 4.1075 8.4189 119.1552 58.4305 32.1448 178.7664 121 I 3.6978 8.1159 120.2499 64.4833 37.4180 178.2586 122 E 3.9742 8.1055 119.2537 59.4140 29.1875 179.4960 123 I 3.5260 7.6503 119.7214 64.3707 37.1693 178.2298 124 L 3.9348 8.1703 121.3251 58.0319 41.8197 178.8777 125 R 3.8947 8.1122 118.7322 59.6005 30.0189 178.2444 126 D 4.3303 7.9223 118.2797 57.3045 40.8061 178.6629 127 E 3.9282 8.3157 119.2379 59.4313 29.4995 178.8123 128 E 4.0875 8.6649 119.9061 59.2784 29.6550 178.9738 129 G 3.7337 8.0061 105.5891 48.4101 0.0000 175.3193 130 H 4.4513 8.0695 119.0368 58.4248 28.6230 177.8651 131 I 3.8142 8.5159 121.9910 64.5611 36.9549 177.5386 132 D 4.4249 8.5487 119.1720 57.3872 40.9603 178.5010 133 W 4.1098 8.2979 128.1960 60.4923 30.8122 177.6977 134 L 3.7690 8.3671 118.9531 58.0205 41.1566 179.4399 135 E 3.9259 8.4839 118.5126 59.7262 29.3531 179.6243 136 T 3.8053 7.9979 115.7584 66.5914 68.4949 176.5869 137 E 3.7852 7.6739 120.3240 59.3926 29.4912 179.3705 138 L 3.7688 7.7368 118.9165 57.9215 41.6146 179.3824 139 D 4.3723 8.1520 118.6935 56.9519 40.6752 178.7821 140 L 4.0159 7.9282 119.8599 57.7842 41.5085 179.3727 141 I 3.4165 7.5360 119.7741 64.4508 36.6779 178.4657 142 Q 3.9924 7.2506 117.2343 58.6034 28.6913 178.4054 143 K 4.1421 7.8689 119.0161 59.0046 32.3260 178.4865 144 M 4.3850 8.2641 114.3629 53.8331 32.4403 177.0122 145 G 4.1256 7.4416 105.6861 45.9582 0.0000 174.5937 146 L 3.9039 8.3918 121.0609 58.1096 42.1861 179.0542 147 Q 3.9980 8.1558 117.4853 59.4832 28.8237 179.0110 148 N 4.3773 8.1561 116.5546 56.2620 38.3684 176.7129 149 Y 3.9554 7.7865 120.0450 60.6999 39.2613 177.7106 150 L 4.1250 8.4696 120.2987 58.0617 41.8303 179.3953 151 Q 3.9579 8.1531 119.0768 59.0155 28.7920 177.7527 152 A 4.1437 7.5570 119.3443 53.6509 18.6194 178.2619 153 Q 4.3000 7.6401 115.7667 55.6520 29.1211 177.6060 154 I 3.8646 7.5377 121.7045 63.6488 37.4100 176.6490 155 R 4.6176 7.5454 117.2890 54.1228 32.0873 175.9509 156 E 4.1424 8.5431 117.0259 56.7190 29.8468 176.6120 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 1.66 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 2 K 8.52 3.92 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.59 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 4 D 8.44 4.66 0.00 2.77 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 5 T 8.85 3.86 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 8.16 3.80 0.00 1.73 1.97 0.00 1.47 0.00 0.00 1.12 0.00 0.00 2.55 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.71 1.03 7.81 7 V 8.62 3.90 2.36 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 0.98 0.00 0.00 1.22 0.00 0.00 8 I 7.83 3.74 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.92 0.00 0.00 9 N 8.33 4.25 0.00 2.62 2.66 0.00 0.00 7.08 8.07 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 10 Y 8.04 4.11 0.00 3.31 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 8.51 3.86 0.00 2.03 1.78 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.68 4.26 0.00 2.84 2.83 0.00 0.00 6.72 7.57 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 13 K 7.99 3.86 0.00 1.71 2.02 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.46 7.81 14 L 8.13 3.98 0.00 1.05 1.22 0.91 0.51 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 15 L 7.81 3.96 0.00 1.67 1.86 1.03 1.07 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 16 G 8.29 3.71 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 0.00 0.00 0.00 17 N 8.18 4.38 0.00 2.98 2.90 0.00 0.00 7.00 7.28 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 18 E 8.18 4.11 0.00 2.24 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 2.77 2.72 0.00 19 L 8.44 4.35 0.00 1.86 1.95 0.94 0.88 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 20 V 7.67 3.61 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 0.99 0.00 0.00 0.89 0.00 0.00 21 A 7.97 3.79 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 8.27 3.76 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.90 0.00 0.00 23 N 7.76 4.38 0.00 3.01 2.85 0.00 0.00 6.70 8.04 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 24 Q 8.31 3.83 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 25 Y 8.27 4.36 0.00 3.19 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 26 F 8.34 3.85 0.00 3.39 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 27 L 8.27 3.93 0.00 1.94 1.60 0.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.26 3.75 0.00 3.47 3.25 0.00 5.71 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 8.37 4.16 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 30 R 7.76 3.80 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.63 0.00 31 M 7.67 3.45 0.00 0.95 1.62 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 2.43 2.16 0.00 32 F 7.68 4.54 0.00 3.29 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 8.32 3.87 0.00 1.96 1.88 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 34 N 7.91 4.23 0.00 2.70 2.71 0.00 0.00 7.36 8.77 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 35 W 7.87 4.74 0.00 3.74 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 36 G 8.16 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 8.04 4.40 0.00 2.16 1.68 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.83 0.00 1.97 1.84 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.59 7.81 39 R 8.34 3.92 0.00 2.01 2.02 0.00 3.35 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 40 L 7.89 4.11 0.00 1.67 0.95 1.04 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.52 0.00 3.13 3.01 0.00 0.00 7.21 8.49 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 42 D 8.15 4.30 0.00 2.88 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 43 V 7.48 3.34 1.71 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 -0.61 0.00 0.00 0.76 0.00 0.00 44 E 8.37 3.69 0.00 2.25 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 0.00 2.53 3.06 0.00 45 Y 8.09 3.90 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.21 0.00 3.25 3.22 0.00 5.67 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 7.93 3.69 0.00 1.31 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 1.71 1.90 0.00 48 S 7.99 4.15 0.00 4.03 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 49 I 7.28 3.55 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.52 0.85 0.00 0.00 50 D 7.82 4.24 0.00 2.93 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.50 4.18 0.00 2.09 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 0.00 2.74 2.81 0.00 52 M 8.02 4.07 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 53 K 8.18 3.90 0.00 1.85 1.83 0.00 1.64 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 1.43 1.62 7.81 54 H 8.05 4.05 0.00 3.56 3.37 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 8.21 4.24 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 56 D 8.24 4.33 0.00 2.88 2.89 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 57 R 7.83 3.85 0.00 1.80 1.76 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 58 Y 7.70 4.32 0.00 3.23 2.96 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 59 I 8.25 3.76 2.06 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 1.00 0.95 0.00 0.00 60 E 8.56 4.10 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 2.57 0.00 61 R 7.90 4.02 0.00 2.19 2.22 0.00 3.38 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 62 I 8.47 3.76 1.94 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 1.60 0.82 0.99 0.00 0.00 63 L 8.13 4.06 0.00 2.08 1.80 0.95 0.93 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 64 F 8.06 4.44 0.00 3.03 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 65 L 8.34 4.28 0.00 1.67 1.60 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.89 3.73 0.00 2.07 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 2.36 0.00 67 G 8.43 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 68 L 8.01 4.52 0.00 1.62 1.63 0.92 1.00 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 4.39 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.47 4.70 0.00 2.59 2.82 0.00 0.00 7.12 7.69 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 71 L 8.35 4.65 0.00 1.63 1.63 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.54 4.21 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.04 4.71 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 8.28 4.58 0.00 1.52 1.50 0.91 1.10 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 75 G 8.48 3.77 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 0.00 76 K 8.31 4.10 0.00 1.72 1.74 0.00 1.78 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 8.41 4.01 0.00 1.64 1.57 0.89 0.97 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 78 N 8.77 4.84 0.00 2.63 2.69 0.00 0.00 7.22 8.11 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 79 I 8.59 3.89 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.93 0.00 0.00 80 G 8.25 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.28 4.76 0.00 2.11 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 2.30 2.26 0.00 82 D 7.69 5.06 0.00 2.81 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 8.53 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 1.18 0.00 0.00 1.24 0.00 0.00 84 E 8.26 3.89 0.00 2.03 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 8.63 3.96 0.00 2.41 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 0.00 2.35 2.38 0.00 86 M 8.46 4.20 0.00 2.32 1.76 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.93 0.00 87 L 8.77 4.14 0.00 1.99 1.78 1.25 0.95 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 88 R 8.56 3.92 0.00 2.06 1.94 0.00 3.10 0.00 0.00 3.09 7.57 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 8.20 4.10 0.00 4.09 4.06 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 0.00 0.00 0.00 90 D 8.16 4.31 0.00 3.17 2.90 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 91 L 8.27 4.03 0.00 1.84 1.86 0.98 0.91 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 92 A 8.12 3.98 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 93 L 7.83 3.91 0.00 1.92 1.82 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.30 4.07 0.00 2.28 2.12 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 2.57 2.74 0.00 95 L 8.25 4.05 0.00 2.03 1.74 0.96 1.30 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 96 D 8.28 4.53 0.00 2.84 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 8.43 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 98 A 8.07 4.03 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 7.91 3.79 0.00 2.04 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 100 N 8.08 4.37 0.00 3.01 2.90 0.00 0.00 7.11 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 0.00 101 L 8.14 3.97 0.00 2.01 1.73 0.98 0.86 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 0.00 102 R 8.34 3.89 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 103 E 8.05 3.85 0.00 2.20 2.04 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 2.37 2.38 0.00 104 A 7.71 2.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.69 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 1.46 0.58 0.91 0.00 0.00 106 G 7.84 3.64 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 0.00 0.00 0.00 107 Y 7.66 3.98 0.00 3.11 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 0.00 108 A 8.13 3.79 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 7.89 4.05 0.00 2.74 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 7.42 4.12 0.00 3.99 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 0.00 111 V 6.78 3.92 1.92 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 0.51 0.00 0.00 0.61 0.00 0.00 112 H 7.07 2.96 0.00 3.18 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.31 4.54 0.00 2.64 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 7.49 4.26 0.00 3.11 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 0.00 115 V 7.84 3.76 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 1.00 0.00 0.00 0.99 0.00 0.00 116 S 8.51 4.16 0.00 4.14 4.05 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 0.00 117 R 8.11 3.88 0.00 1.88 2.20 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.30 4.32 0.00 3.05 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 8.34 4.00 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 2.12 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 8.42 4.11 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.80 0.00 121 I 8.12 3.70 2.01 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 0.96 0.92 0.00 0.00 122 E 8.11 3.97 0.00 1.97 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 2.46 2.49 0.00 123 I 7.65 3.53 1.95 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.71 0.00 0.00 124 L 8.17 3.93 0.00 1.76 1.85 0.95 1.18 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 0.00 125 R 8.11 3.89 0.00 1.93 2.12 0.00 3.15 0.00 0.00 3.16 7.55 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 7.92 4.33 0.00 3.01 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.32 3.93 0.00 2.15 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 2.58 2.53 0.00 128 E 8.66 4.09 0.00 2.31 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 0.00 2.34 2.42 0.00 129 G 8.01 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 0.00 130 H 8.07 4.45 0.00 3.54 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.52 3.81 2.13 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 0.85 0.97 0.00 0.00 132 D 8.55 4.42 0.00 2.94 2.98 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 0.00 133 W 8.30 4.11 0.00 3.57 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.37 3.77 0.00 2.02 1.77 1.31 1.26 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 0.00 135 E 8.48 3.93 0.00 2.14 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 2.33 2.38 0.00 136 T 8.00 3.81 4.20 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 1.18 0.00 0.00 137 E 7.67 3.79 0.00 1.56 1.68 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 1.47 1.47 0.00 138 L 7.74 3.77 0.00 1.79 1.62 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.15 4.37 0.00 2.77 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 7.93 4.02 0.00 1.91 1.86 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.54 3.42 1.69 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.40 0.69 0.00 0.00 142 Q 7.25 3.99 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 143 K 7.87 4.14 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 144 M 8.26 4.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 145 G 7.44 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 0.00 0.00 0.00 146 L 8.39 3.90 0.00 1.73 1.66 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.16 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 148 N 8.16 4.38 0.00 2.99 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 7.79 3.96 0.00 3.06 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 8.47 4.13 0.00 2.02 1.72 1.09 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 0.00 151 Q 8.15 3.96 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 2.36 0.00 152 A 7.56 4.14 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 7.64 4.30 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 154 I 7.54 3.86 2.00 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 4.62 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.54 4.14 0.00 2.10 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 2.28 0.00