NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.2375 8.4444 116.7505 55.6035 31.4337 174.7255 22 V 3.7451 8.1692 121.5787 61.2793 31.8220 174.1774 23 I 4.0840 8.0736 129.6365 59.9707 37.7439 175.3745 24 V 3.9618 8.1606 126.3393 60.0354 32.1703 175.2542 25 P 4.4983 0.0000 0.0000 61.7696 33.2147 176.9494 26 R 3.9969 8.7465 120.6302 59.9656 29.8627 178.7507 27 S 4.0767 8.1018 113.0067 61.8298 62.9287 176.4026 28 F 4.2217 8.1473 121.3448 59.5627 38.8466 177.5705 29 R 4.0066 8.4209 118.7424 59.6699 29.9417 178.6992 30 L 4.3029 8.4587 118.9489 57.7384 41.5644 179.5042 31 L 4.1356 8.3021 119.2807 57.5737 41.5124 178.9760 32 D 4.4077 8.4586 118.1742 57.5613 41.2555 178.2003 33 E 4.1799 8.2943 118.7322 59.2796 29.3447 179.1828 34 L 4.4045 8.5709 120.6061 58.2634 42.1844 178.4755 35 E 3.9612 8.5173 119.4273 59.2964 29.0067 178.8466 36 R 3.9757 8.1884 118.6762 59.4890 30.4182 178.7450 37 G 2.8792 7.9918 106.7937 47.1261 0.0000 175.6975 38 Q 4.1391 8.3347 122.3750 59.1212 28.7601 179.2806 39 K 4.1845 7.6579 123.9513 57.7400 31.7802 180.8298 40 G 4.0974 7.4709 104.4346 45.4670 0.0000 173.2408 41 N 4.6087 7.5368 119.2621 54.4886 38.4991 175.2841 42 V 4.7197 7.2438 113.1337 58.2121 35.4865 177.3083 43 S 4.3529 9.3042 113.8448 58.9899 62.7779 173.2287 44 E 4.0504 8.4861 125.5746 57.4021 30.0063 177.2526 45 G 4.1283 9.2087 114.1231 45.0972 0.0000 172.6843 46 V 5.2536 7.1646 111.1488 59.6310 34.6279 175.4662 47 S 4.9294 9.2165 117.9044 56.9643 66.3300 172.8891 48 F 5.4844 8.3573 116.7610 55.9645 41.5142 173.4726 49 G 4.3070 9.0590 107.9246 45.2369 0.0000 171.5506 50 L 4.0269 7.9924 119.5421 54.3330 41.7192 177.5975 51 E 4.0487 8.9752 125.1578 58.6563 30.4112 177.0478 52 S 4.6437 7.6989 113.4804 55.8776 64.4930 174.4445 53 A 4.0248 8.7059 130.6043 54.3467 18.3410 177.4331 54 D 4.7897 7.7319 114.4481 53.0228 40.1480 176.3469 55 D 4.5062 7.6848 121.1693 54.2234 39.9039 176.6242 56 I 3.7763 8.0724 128.2261 63.9512 37.4038 177.9583 57 T 3.9828 7.6714 109.5179 62.0441 69.1697 174.3217 58 L 3.4177 7.3717 120.8539 56.1038 39.7544 175.2670 59 S 4.3314 8.1445 115.1468 59.3803 65.3917 174.7001 60 N 5.2555 8.1106 119.0971 51.7714 40.6826 173.6234 61 W 5.0472 9.3667 127.1514 54.9168 32.2481 174.8340 62 S 4.8113 8.9684 120.7074 57.7708 63.1072 172.7370 63 C 5.6838 9.4063 124.5234 58.5230 32.6155 173.1852 64 T 5.4800 9.0191 116.1635 62.3102 73.0132 173.2273 65 I 5.1597 8.8258 119.3826 59.0714 40.6196 174.4577 66 F 4.9931 9.4888 129.0547 57.4270 40.2586 175.4284 67 G 4.3638 7.5550 112.8848 45.5403 0.0000 173.5285 68 Q 4.3033 8.7705 123.6019 54.7197 29.3307 174.2586 69 P 4.2883 0.0000 0.0000 64.2666 31.7912 176.7058 70 G 3.9316 9.2156 109.6238 45.5048 0.0000 172.1980 71 T 4.7151 7.3864 109.6983 58.9284 71.6562 175.2735 72 V 3.5547 7.6844 120.3317 64.1279 31.4574 177.2409 73 F 4.5855 7.6972 120.0159 58.7957 37.9498 176.2794 74 E 4.2011 7.8460 117.4190 57.0482 29.9435 182.1320 75 N 4.5578 8.6411 115.3161 54.0191 36.3677 174.3036 76 R 4.6528 7.0008 114.1629 55.3813 33.1611 174.3144 77 I 4.7113 8.2201 121.0437 59.5230 37.6254 173.9142 78 Y 4.7434 8.8119 124.1251 55.7179 40.1835 175.2750 79 S 5.1626 9.4196 122.5798 58.2125 64.4523 173.6793 80 L 5.1389 8.9287 123.2403 54.7822 44.5217 174.6099 81 T 5.1758 9.2402 116.4614 61.8767 71.7997 173.1213 82 I 4.9252 8.8854 127.0394 59.3840 40.4188 174.1898 83 F 5.2505 9.1603 129.6335 56.6818 41.5741 173.6881 84 C 4.5303 8.2308 125.4848 58.1707 29.1195 174.0658 85 D 4.5416 8.2387 124.0791 52.1791 40.7813 176.5293 86 D 4.5001 8.6023 117.8009 56.6594 40.9711 177.0162 87 N 4.7724 8.3300 115.9460 52.7949 39.2450 174.2963 88 Y 4.2680 7.8467 120.8013 57.3990 39.3192 174.0182 89 P 3.4903 0.0000 0.0000 62.5449 31.9119 177.2003 90 D 4.5368 7.9468 119.9162 56.4144 40.9456 176.4944 91 S 4.7899 7.6109 112.5191 55.0419 65.8561 172.0107 92 P 2.9700 0.0000 0.0000 61.4208 31.5731 174.3703 93 P 4.5796 0.0000 0.0000 62.8066 32.6523 175.1710 94 T 4.5350 8.5049 110.6479 60.3888 71.1304 173.8013 95 V 4.7802 8.1164 122.8591 61.1571 35.2213 174.1394 96 K 4.9488 8.5376 127.7948 55.2312 35.7766 174.8063 97 F 4.5915 9.5173 127.4564 57.7350 39.4031 175.2745 98 D 4.8821 9.5172 123.0950 56.7130 42.5916 177.0654 99 T 4.4464 8.1685 114.4534 62.6863 69.4134 174.9568 100 K 3.3587 8.9964 128.8389 56.3865 32.6670 176.0870 101 I 4.5657 8.3223 126.3776 59.3798 41.0507 173.9862 102 E 4.5591 9.5356 127.7969 55.2952 29.9363 175.3076 103 M 5.0495 8.0187 122.3076 53.5169 36.2746 176.2543 104 S 4.1209 9.0152 116.2996 61.1535 62.7160 174.9435 105 C 4.4765 8.0062 112.6929 57.7664 30.1557 172.5810 106 V 4.6742 7.3403 120.7974 61.0179 32.8741 175.3341 107 D 4.7214 8.6805 127.2701 52.7366 40.7639 176.2403 108 N 4.7034 8.6258 114.8419 55.0778 38.6333 175.5494 109 C 4.3021 8.5539 115.3867 58.9242 29.4447 174.6514 110 G 3.6494 7.6492 108.2284 44.6275 0.0000 173.6331 111 R 4.5490 7.8104 119.6612 55.7069 31.5322 175.8909 112 V 4.2488 8.4273 124.6205 62.7054 32.5016 175.5733 113 I 3.9000 9.1243 130.2122 60.8694 37.1584 176.8365 114 K 3.8778 9.0521 129.1871 59.6595 32.2373 178.4743 115 N 4.4909 8.1151 114.6078 55.9645 38.6305 175.3363 116 N 4.7357 7.8822 113.5942 53.0081 38.8920 175.0061 117 L 4.6991 7.6951 119.9296 52.6036 45.1431 176.3933 118 H 4.2657 8.9700 123.4101 58.9387 28.5624 177.5724 119 I 3.7514 7.2361 115.2457 63.4040 37.2420 177.9905 120 L 4.3681 7.8964 119.6744 57.1044 41.8004 178.5147 121 K 4.2569 8.4263 119.2925 58.3986 33.4408 177.0370 122 N 5.0133 7.8717 116.7058 50.7469 38.4275 173.0037 123 W 4.9158 8.3063 129.6536 56.3935 32.1448 174.7528 124 N 4.5297 6.5461 122.9089 50.9269 40.7843 175.3607 125 R 4.3607 7.8476 119.4146 58.1240 29.7469 177.4541 126 N 4.3541 7.3723 114.9678 55.1083 38.8698 175.2542 127 Y 4.2527 6.5177 116.5312 57.8115 38.4799 175.4175 128 T 4.8324 8.0483 113.4312 59.5974 72.9715 175.3087 129 I 3.4846 8.1249 120.9616 64.2307 36.6972 178.2591 130 E 3.5126 7.4161 119.5383 59.5369 29.4382 178.5829 131 T 3.7747 7.4759 115.3465 66.9253 68.5476 176.4529 132 I 3.7707 7.4236 122.1482 63.8716 37.0182 178.5529 133 L 3.9736 7.7639 119.7831 57.7944 41.4125 179.7049 134 I 3.7534 8.1306 120.4661 64.3557 36.8945 178.6582 135 S 4.1609 8.2265 115.1978 61.4192 62.8619 176.5985 136 L 4.1097 7.9276 122.5691 57.5749 41.1365 179.5671 137 R 4.0154 7.5593 117.2163 59.0590 30.1934 178.7953 138 Q 4.1390 8.0327 118.2386 58.9016 28.6595 178.3447 139 E 4.0157 8.0980 118.8793 59.2480 29.1552 179.2444 140 M 3.9380 7.2692 117.2143 57.9866 31.9905 177.5402 141 L 4.2813 7.8598 118.0184 56.2875 42.4511 177.6843 142 S 4.3310 7.5584 112.9665 57.9384 63.3947 175.5853 143 S 4.0599 8.6923 116.6937 61.4267 62.9115 175.6575 144 A 4.1383 8.0561 122.8807 54.2449 18.4353 177.5970 145 N 4.8396 7.7797 111.3967 54.0024 40.3666 177.0984 146 K 4.0052 8.5143 120.3205 59.3189 32.1329 178.0411 147 R 4.4609 7.6756 112.9537 55.4296 30.6605 175.7153 148 L 4.0003 7.4160 122.1309 53.8129 42.2034 174.9812 149 P 4.2601 0.0000 0.0000 63.1424 31.6881 175.4965 150 Q 4.6581 8.0741 119.0829 53.0746 31.6852 173.5343 151 P 4.4911 0.0000 0.0000 61.9627 32.0138 175.7308 152 N 4.2613 8.5164 115.5530 53.3112 38.9010 174.3920 153 E 4.0085 8.4871 122.4417 57.8679 29.9879 176.9185 154 G 3.9119 8.9100 114.0690 45.2606 0.0000 172.5241 155 E 4.2717 7.7929 118.9874 55.9215 30.6598 176.6288 156 V 4.8416 7.9819 116.0623 58.8655 34.3826 175.2299 157 Y 4.3806 8.5387 119.7908 58.2956 38.7282 176.5270 158 S 4.2093 8.4499 115.7152 58.8523 63.0687 173.8467 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 21 E 8.44 4.24 0.00 2.01 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 2.13 1.88 0.00 22 V 8.17 3.75 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 0.91 0.00 0.00 0.91 0.00 0.00 23 I 8.07 4.08 1.87 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 1.46 0.95 nan 0.00 0.00 24 V 8.16 3.96 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 0.74 0.00 0.00 1.02 0.00 0.00 25 P 0.00 4.50 0.00 2.44 2.13 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 26 R 8.75 4.00 0.00 2.00 2.01 0.00 3.42 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.04 0.00 27 S 8.10 4.08 0.00 3.81 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 28 F 8.15 4.22 0.00 3.15 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 29 R 8.42 4.01 0.00 2.00 2.34 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 30 L 8.46 4.30 0.00 2.01 2.03 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.30 4.14 0.00 1.94 1.79 0.70 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.46 4.41 0.00 3.00 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 33 E 8.29 4.18 0.00 2.34 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 2.62 0.00 34 L 8.57 4.40 0.00 2.30 2.03 0.81 0.63 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 35 E 8.52 3.96 0.00 2.24 2.21 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 2.35 2.36 0.00 36 R 8.19 3.98 0.00 2.06 2.25 0.00 3.26 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 37 G 7.99 2.88 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 38 Q 8.33 4.14 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 39 K 7.66 4.18 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.33 7.81 40 G 7.47 4.10 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 0.00 0.00 0.00 41 N 7.54 4.61 0.00 2.73 2.82 0.00 0.00 6.76 7.59 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 42 V 7.24 4.72 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 0.82 0.00 0.00 0.93 0.00 0.00 43 S 9.30 4.35 0.00 3.84 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 44 E 8.49 4.05 0.00 1.99 1.87 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 2.29 2.29 0.00 45 G 9.21 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 46 V 7.16 5.25 2.23 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 0.82 0.00 0.00 1.12 0.00 0.00 47 S 9.22 4.93 0.00 3.85 3.95 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 48 F 8.36 5.48 0.00 3.34 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 49 G 9.06 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 0.00 0.00 0.00 0.00 50 L 7.99 4.03 0.00 1.25 1.40 0.63 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.98 4.05 0.00 2.05 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 2.32 2.42 0.00 52 S 7.70 4.64 0.00 3.81 3.59 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 53 A 8.71 4.02 1.24 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 0.00 0.00 0.00 54 D 7.73 4.79 0.00 2.71 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 55 D 7.68 4.51 0.00 2.70 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 56 I 8.07 3.78 1.83 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 1.47 0.66 0.86 0.00 0.00 57 T 7.67 3.98 4.22 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 1.20 0.00 0.00 58 L 7.37 3.42 0.00 1.89 1.74 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.14 4.33 0.00 3.74 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.11 5.26 0.00 2.95 2.69 0.00 0.00 7.04 7.95 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 61 W 9.37 5.05 0.00 3.35 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 62 S 8.97 4.81 0.00 3.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.41 5.68 0.00 2.96 2.86 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 64 T 9.02 5.48 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 1.36 0.00 0.00 65 I 8.83 5.16 1.99 0.00 0.00 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 1.28 1.14 1.03 0.00 0.00 66 F 9.49 4.99 0.00 3.06 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 67 G 7.55 4.36 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 0.00 68 Q 8.77 4.30 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.03 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 69 P 0.00 4.29 0.00 2.25 2.18 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 70 G 9.22 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.39 4.72 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 1.30 0.00 0.00 72 V 7.68 3.55 1.89 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 -0.16 0.00 0.00 0.76 0.00 0.00 73 F 7.70 4.59 0.00 3.23 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 74 E 7.85 4.20 0.00 1.91 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 0.00 2.25 2.16 0.00 75 N 8.64 4.56 0.00 2.84 2.96 0.00 0.00 6.73 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 76 R 7.00 4.65 0.00 1.49 2.01 0.00 2.84 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 77 I 8.22 4.71 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 1.34 0.75 0.91 0.00 0.00 78 Y 8.81 4.74 0.00 3.30 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.42 5.16 0.00 3.85 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 80 L 8.93 5.14 0.00 1.39 1.23 0.28 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 81 T 9.24 5.18 4.26 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 1.28 0.00 0.00 82 I 8.89 4.93 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.70 0.75 0.00 0.00 83 F 9.16 5.25 0.00 3.10 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 84 C 8.23 4.53 0.00 2.42 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 0.00 0.00 0.00 85 D 8.24 4.54 0.00 3.02 2.99 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 86 D 8.60 4.50 0.00 2.72 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 87 N 8.33 4.77 0.00 2.78 2.84 0.00 0.00 6.46 7.64 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 88 Y 7.85 4.27 0.00 2.87 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 89 P 0.00 3.49 0.00 2.10 1.35 0.00 3.67 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 1.87 1.79 0.00 90 D 7.95 4.54 0.00 2.91 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 S 7.61 4.79 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 2.97 0.00 1.81 1.61 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 93 P 0.00 4.58 0.00 1.85 1.70 0.00 2.41 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 94 T 8.50 4.54 4.23 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 1.22 0.00 0.00 95 V 8.12 4.78 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 0.77 0.00 0.00 0.85 0.00 0.00 96 K 8.54 4.95 0.00 1.81 1.55 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.35 7.81 97 F 9.52 4.59 0.00 3.17 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.52 4.88 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 99 T 8.17 4.45 4.59 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 1.19 0.00 0.00 100 K 9.00 3.36 0.00 1.43 1.51 0.00 1.51 0.00 0.00 1.39 0.00 0.00 2.67 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.10 0.21 7.81 101 I 8.32 4.57 1.52 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.04 -0.06 0.00 0.00 102 E 9.54 4.56 0.00 2.06 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 2.26 2.52 0.00 103 M 8.02 5.05 0.00 1.94 1.73 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 2.45 2.54 0.00 104 S 9.02 4.12 0.00 3.84 3.91 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 0.00 0.00 0.00 105 C 8.01 4.48 0.00 3.16 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 0.00 106 V 7.34 4.67 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 0.91 0.00 0.00 0.86 0.00 0.00 107 D 8.68 4.72 0.00 2.93 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 0.00 108 N 8.63 4.70 0.00 2.77 2.97 0.00 0.00 6.68 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 0.00 109 C 8.55 4.30 0.00 2.89 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 G 7.65 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 0.00 111 R 7.81 4.55 0.00 2.00 1.83 0.00 3.05 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 112 V 8.43 4.25 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 0.77 0.00 0.00 1.06 0.00 0.00 113 I 9.12 3.90 1.89 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 1.12 0.72 0.92 0.00 0.00 114 K 9.05 3.88 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 115 N 8.12 4.49 0.00 2.77 2.88 0.00 0.00 6.88 8.00 0.00 0.00 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 N 7.88 4.74 0.00 2.85 2.85 0.00 0.00 6.68 7.86 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 0.00 117 L 7.70 4.70 0.00 1.75 1.48 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.97 4.27 0.00 3.47 3.56 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.24 3.75 1.63 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.25 0.09 0.00 0.00 120 L 7.90 4.37 0.00 1.83 1.81 0.91 0.90 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 0.00 121 K 8.43 4.26 0.00 1.91 2.15 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.59 7.81 122 N 7.87 5.01 0.00 2.83 2.78 0.00 0.00 7.07 6.95 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 0.00 123 W 8.31 4.92 0.00 3.41 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 0.00 124 N 6.55 4.53 0.00 1.75 1.42 0.00 0.00 6.96 7.65 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 0.00 125 R 7.85 4.36 0.00 1.83 1.95 0.00 2.60 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 126 N 7.37 4.35 0.00 2.59 2.79 0.00 0.00 7.01 6.76 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 0.00 127 Y 6.52 4.25 0.00 1.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.05 4.83 4.33 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 1.21 0.00 0.00 129 I 8.12 3.48 1.08 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 0.79 0.12 0.32 0.00 0.00 130 E 7.42 3.51 0.00 1.69 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 2.37 2.49 0.00 131 T 7.48 3.77 4.38 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 0.84 0.00 0.00 132 I 7.42 3.77 1.96 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 1.75 1.65 0.87 0.00 0.00 133 L 7.76 3.97 0.00 1.82 1.73 0.93 0.82 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 0.00 134 I 8.13 3.75 1.95 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 1.59 0.71 0.90 0.00 0.00 135 S 8.23 4.16 0.00 3.98 4.11 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 0.00 136 L 7.93 4.11 0.00 1.93 1.81 0.86 1.02 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 0.00 137 R 7.56 4.02 0.00 1.94 2.01 0.00 3.47 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 138 Q 8.03 4.14 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 139 E 8.10 4.02 0.00 2.10 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 2.55 2.49 0.00 140 M 7.27 3.94 0.00 1.91 2.20 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.19 0.00 141 L 7.86 4.28 0.00 1.80 1.75 0.99 0.79 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 0.00 142 S 7.56 4.33 0.00 4.06 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 0.00 143 S 8.69 4.06 0.00 4.01 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 0.00 144 A 8.06 4.14 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 0.00 145 N 7.78 4.84 0.00 3.12 3.16 0.00 0.00 6.52 6.96 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 0.00 146 K 8.51 4.01 0.00 2.04 1.84 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 147 R 7.68 4.46 0.00 2.05 1.87 0.00 3.38 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.15 0.00 148 L 7.42 4.00 0.00 1.63 1.52 1.01 0.92 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 0.00 149 P 0.00 4.26 0.00 2.17 1.99 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 150 Q 8.07 4.66 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.07 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 151 P 0.00 4.49 0.00 2.24 2.02 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 152 N 8.52 4.26 0.00 2.74 2.77 0.00 0.00 6.43 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 0.00 153 E 8.49 4.01 0.00 1.87 1.82 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 2.21 2.20 0.00 154 G 8.91 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 155 E 7.79 4.27 0.00 1.97 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 2.28 2.39 0.00 156 V 7.98 4.84 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 0.89 0.00 0.00 0.95 0.00 0.00 157 Y 8.54 4.38 0.00 2.90 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 0.00 158 S 8.45 4.21 0.00 3.95 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