NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4390 8.1885 117.0994 58.2191 64.8546 175.8615 18 A 3.9366 7.9637 122.4247 54.3040 18.2153 177.7218 19 D 4.2466 8.1767 116.2363 57.3057 41.9848 175.8796 20 L 3.9045 8.0066 120.5137 58.4706 41.8619 178.7861 21 L 3.9613 7.4939 116.9031 57.9400 41.4027 179.8459 22 V 3.5728 7.2417 115.1125 65.9642 31.8586 177.4589 23 A 4.1176 8.3623 120.8383 55.4174 18.0058 179.3655 24 N 4.4719 8.1128 114.7557 56.1704 38.5272 177.3857 25 L 3.9579 7.8113 120.2900 57.8493 41.6419 179.7145 26 V 3.6039 7.4750 116.7643 66.0150 31.4565 177.5096 27 N 4.3851 8.0909 116.2511 56.9347 38.8063 176.5276 28 E 4.0679 8.5912 120.2026 59.4407 29.4545 179.0708 29 N 4.4195 8.6858 117.0998 56.0245 38.5369 177.2081 30 F 4.1538 8.4858 122.2747 61.3453 39.5557 177.0425 31 V 3.0637 7.8704 117.7703 66.0789 31.1168 178.0661 32 L 3.9129 7.8767 118.5604 57.8472 41.5321 179.6806 33 S 4.1222 7.6698 113.8525 61.3415 62.7451 176.5044 34 E 3.7852 7.8557 122.1441 59.0798 28.7340 179.0999 35 K 3.9047 7.9581 121.0272 58.7350 32.1484 178.5613 36 L 4.0011 8.2688 121.2363 58.0349 41.5129 178.6364 37 D 4.3821 8.0086 119.2650 57.3462 40.2512 178.7636 38 T 3.9766 8.1780 110.3752 64.3589 68.5632 176.7730 39 K 4.0122 7.6734 120.6418 59.0690 31.7433 178.8738 40 A 3.9632 7.9636 120.8627 55.0278 18.1494 179.3505 41 T 3.9909 7.5494 110.5220 64.8712 67.5229 176.6634 42 E 4.0398 7.8644 119.4021 59.1050 29.4866 179.5404 43 I 3.7589 7.9942 120.3568 64.3033 37.1268 178.4281 44 K 3.9780 7.6923 118.5177 59.6259 31.9277 179.4010 45 Q 4.0151 8.1771 118.2566 58.9686 28.5223 178.9072 46 L 4.0222 7.7483 120.2121 57.7341 41.6769 179.2366 47 Q 3.9522 8.0337 119.2884 59.0073 28.8627 178.6582 48 K 3.9357 7.8591 119.5644 59.3826 32.0771 178.9155 49 Q 3.9350 7.8553 119.3017 59.3199 28.8538 178.2673 50 I 3.6801 7.9584 120.9523 64.7960 37.3457 177.9521 51 D 4.3461 7.9877 119.1896 57.3925 40.7252 178.8373 52 S 4.0798 8.2366 113.5642 61.5162 62.3702 176.1959 53 L 3.9984 8.2527 121.9293 57.8637 41.3398 179.2117 54 N 4.2950 8.5324 116.4852 56.3513 38.4791 177.0133 55 A 3.9261 7.8772 121.5895 55.1532 18.4451 179.0271 56 Q 3.8849 7.9727 117.3250 59.4920 29.1840 179.2327 57 V 3.5665 8.0914 119.1423 66.1196 31.6214 178.0005 58 K 3.9410 8.0078 117.9049 59.7413 31.9374 179.2789 59 E 4.0155 8.3593 118.7127 59.2046 29.4479 179.1664 60 L 4.0453 8.2587 120.5797 57.7400 42.2076 179.0739 61 K 4.0813 7.8986 118.5084 59.2762 31.9500 179.5112 62 T 3.9229 7.8680 115.9972 66.6761 68.3331 176.8778 63 Q 4.0137 8.0353 120.2447 59.2805 28.5155 179.1991 64 T 3.9392 7.6762 109.6935 64.5431 69.1255 176.6533 65 S 4.2425 8.0186 116.7432 61.2010 63.6026 175.9219 66 Q 3.9302 8.4013 124.6076 58.8194 28.6253 178.9700 67 Q 3.9723 7.9951 120.2134 58.8687 28.9653 177.8614 68 A 3.9804 7.9483 122.0005 55.1817 18.4002 179.0288 69 E 4.1353 8.0311 118.4653 58.9069 29.6197 178.4600 70 N 4.2739 7.9927 115.7849 56.7133 38.6414 177.3207 71 S 4.1534 8.2217 116.2390 61.8235 62.4331 176.8011 72 E 3.9803 8.5444 121.3698 59.3516 29.1519 179.4735 73 V 3.6438 7.7869 118.0952 66.1331 31.5883 177.9154 74 I 3.6469 7.8402 119.4346 64.3407 36.9958 178.0757 75 K 4.0331 8.4449 120.6489 60.0147 31.8602 178.4472 76 D 4.3999 8.6635 119.2301 57.0733 40.7074 178.4622 77 L 4.0635 8.7162 121.9493 58.5305 42.0876 178.4021 78 Y 4.4078 8.2877 117.0144 61.4126 37.7356 178.4952 79 E 3.7517 8.4629 119.9312 59.6487 29.4454 178.4054 80 Y 4.1963 7.6472 115.1573 59.8051 38.0946 176.6593 81 L 4.6052 7.9853 119.8379 55.6818 43.5678 176.9834 82 C 4.9085 8.8632 114.7808 58.2035 29.3357 173.6656 83 N 4.5147 8.5679 116.4966 52.5475 36.1404 173.4970 84 V 4.9863 7.4701 114.7267 60.1009 34.5177 174.8417 85 R 4.5922 8.9641 123.1775 54.2659 33.6546 174.9413 86 V 4.3517 8.3346 123.7179 62.1821 31.3793 175.3128 87 H 4.4464 8.5014 124.5248 58.5594 28.6208 176.3239 88 K 4.7163 7.6394 115.3100 56.2369 36.7136 174.1004 89 S 5.2795 8.6320 113.3172 58.9400 65.4233 173.5674 90 Y 5.0439 8.3085 121.4287 55.1431 41.8856 174.3177 91 E 5.1304 8.7435 117.3439 54.9612 30.5647 174.3462 92 D 4.6779 9.0378 127.2867 54.4681 40.8823 178.8239 93 D 4.1336 8.8702 124.3762 54.9528 40.3383 175.3152 94 S 4.3948 9.0832 123.3370 60.5149 63.2034 173.2788 95 G 4.5159 9.0275 115.6178 45.4253 0.0000 171.3013 96 L 5.1588 8.2737 121.7149 53.0047 44.7614 175.4131 97 W 6.1030 8.6743 120.1877 54.0168 33.6937 174.4240 98 F 5.5477 8.9317 120.2190 54.7729 42.4802 174.3410 99 D 5.1853 9.0709 123.0498 54.7550 42.5569 175.2397 100 I 4.7741 8.5470 120.1367 60.0491 42.2824 174.4487 101 S 4.8073 8.8339 121.3859 56.9506 65.7979 172.9187 102 Q 4.9921 8.8420 126.1255 54.6563 32.4699 173.9373 103 G 4.0839 7.5865 108.6566 43.9452 0.0000 173.1080 104 T 4.5616 8.0224 111.7880 60.4927 70.7531 176.2352 *105 H 4.3812 8.3151 120.3272 54.6886 25.3643 174.0168 *115 I 4.0759 7.5477 123.1861 60.8943 38.4552 174.7833 116 M 4.7131 8.9605 125.5428 53.8431 34.5236 174.1987 117 D 5.0901 8.7949 126.7293 54.2763 42.9748 175.3549 118 Y 5.2599 8.1911 119.6519 56.4942 41.7918 173.1682 119 K 5.4908 8.8168 117.5640 54.9398 36.3052 176.2211 120 L 5.0409 9.1047 121.7023 53.0204 45.4355 175.8420 121 G 3.1005 8.1898 110.1547 43.8315 0.0000 172.0446 122 F 5.0051 8.5644 121.2275 55.6070 41.4103 175.6344 123 V 4.0440 8.2123 123.3886 63.4229 34.2574 175.7332 *129 V 4.0819 7.6983 118.0161 63.0075 32.2421 173.9759 130 T 4.6450 7.8761 112.6239 60.8873 71.4329 172.1410 131 E 4.5708 7.9374 121.5655 55.3813 33.7876 173.8983 132 V 4.1504 8.0577 123.2441 60.8208 35.6617 174.3326 133 I 4.5779 7.4125 124.1952 59.6933 41.0433 174.8170 134 Y 4.7896 8.1255 127.9532 56.7402 41.1847 174.1017 135 A 4.3349 6.5263 116.9657 50.0376 21.0526 173.3197 136 P 4.2133 0.0000 0.0000 63.7881 32.4260 176.2555 137 V 4.3059 8.7407 122.8998 60.8849 33.2518 174.7844 138 L 4.9057 8.2124 128.8043 54.2630 42.9703 178.1926 139 K 4.0442 8.3733 122.6818 59.2238 32.2182 176.5956 140 Q 4.3912 7.5878 115.5291 54.6551 30.9071 174.1351 141 R 4.2703 8.4967 119.2798 55.2787 32.4272 174.1055 142 S 4.1397 8.6098 122.9369 59.3895 63.6410 175.5437 143 T 3.9471 8.9482 116.7579 65.2476 68.1551 175.6174 144 E 4.0307 8.3466 119.5318 59.5086 29.1623 179.1607 145 E 3.9799 8.6864 119.5391 59.2880 29.8893 179.1296 146 L 3.6581 8.0742 118.2081 57.4709 41.4567 178.1996 147 Y 4.6527 7.8303 119.6686 58.3106 39.4657 177.1574 148 S 4.0173 7.9177 113.9622 61.5348 62.3877 176.3435 149 L 4.1538 8.8523 122.3832 57.9184 41.4243 179.4337 150 Q 4.0498 7.6848 116.5956 58.1447 28.2980 178.4671 151 S 4.1644 7.3307 114.8002 60.3454 63.4602 175.9332 152 K 4.1908 7.4070 119.4262 56.1663 32.4582 176.7710 153 L 4.5555 7.4264 119.0988 51.7189 43.5532 174.6381 154 P 4.1443 0.0000 0.0000 63.1011 32.0316 177.0385 155 E 3.9299 8.6999 123.1285 59.8524 29.6477 179.2525 156 Y 4.4399 7.8204 115.9367 59.2983 38.0353 177.1978 157 L 4.4864 7.6345 119.7352 55.3378 41.5017 177.0068 158 F 4.9375 8.3673 116.3376 57.0502 39.4634 175.0166 159 E 4.8917 8.1890 119.5021 54.3715 33.1748 175.5941 160 T 4.1804 8.5953 118.3662 64.6479 69.5571 173.0600 161 L 5.0261 8.3566 122.5433 53.9529 47.1310 175.4031 162 S 4.9887 8.5702 113.8597 58.5294 66.6463 174.5668 163 F 5.0366 7.2211 118.7639 54.2956 41.6688 172.3423 164 P 4.5978 0.0000 0.0000 62.2271 32.2195 177.0179 165 L 3.9016 8.5086 120.9082 58.6401 41.6626 179.3218 166 S 4.4211 8.1414 113.4659 61.2004 63.0291 175.7713 167 S 4.4774 7.9995 116.2489 58.8039 62.9810 175.4246 168 L 3.7627 8.1677 124.5066 58.3880 41.7642 177.9669 169 N 4.2570 8.2438 115.9228 57.2258 38.5485 176.7703 170 Q 3.9909 7.9592 117.6991 59.1238 29.1221 177.6690 171 F 3.9217 8.1689 121.4411 61.3316 39.2362 176.2302 172 Y 4.2175 8.5871 118.7420 61.1241 38.6294 178.5165 173 N 3.9265 8.2230 116.9166 56.2213 38.2347 177.4747 174 K 3.7846 7.8657 119.7956 59.5778 32.1317 179.5093 175 I 3.4969 7.2288 119.2641 63.8873 36.8184 178.2203 176 A 3.7966 7.2752 120.8881 55.1192 18.2976 179.6340 177 K 3.9461 7.8773 115.8325 59.3894 32.1048 179.1873 178 S 4.3087 7.4849 113.6738 59.8648 63.0511 174.7658 179 L 4.3484 7.3234 125.3716 54.7235 41.7402 176.1008 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 17 S 8.19 4.44 0.00 3.67 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 18 A 7.96 3.94 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 19 D 8.18 4.25 0.00 2.80 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 20 L 8.01 3.90 0.00 1.74 1.68 0.92 0.64 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 21 L 7.49 3.96 0.00 1.89 1.71 0.93 0.85 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 22 V 7.24 3.57 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 0.81 0.00 0.00 0.98 0.00 0.00 23 A 8.36 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.11 4.47 0.00 2.92 2.89 0.00 0.00 6.90 6.59 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 25 L 7.81 3.96 0.00 1.74 1.75 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.48 3.60 2.33 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 1.00 0.00 0.00 0.94 0.00 0.00 27 N 8.09 4.39 0.00 2.90 2.93 0.00 0.00 7.19 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 28 E 8.59 4.07 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 29 N 8.69 4.42 0.00 2.98 2.91 0.00 0.00 6.62 7.71 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 30 F 8.49 4.15 0.00 3.12 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 31 V 7.87 3.06 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 0.98 0.00 0.00 1.00 0.00 0.00 32 L 7.88 3.91 0.00 1.87 1.66 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.67 4.12 0.00 3.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.86 3.79 0.00 1.76 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 2.20 1.92 0.00 35 K 7.96 3.90 0.00 1.94 1.74 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.26 7.81 36 L 8.27 4.00 0.00 1.81 1.76 0.90 1.07 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 37 D 8.01 4.38 0.00 2.84 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 38 T 8.18 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 1.22 0.00 0.00 39 K 7.67 4.01 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.43 7.81 40 A 7.96 3.96 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 41 T 7.55 3.99 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 1.21 0.00 0.00 42 E 7.86 4.04 0.00 2.23 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 2.32 2.48 0.00 43 I 7.99 3.76 1.96 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 1.51 1.25 0.91 0.00 0.00 44 K 7.69 3.98 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.77 7.81 45 Q 8.18 4.02 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 46 L 7.75 4.02 0.00 1.75 1.71 0.92 0.79 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 47 Q 8.03 3.95 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 48 K 7.86 3.94 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 49 Q 7.86 3.94 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 50 I 7.96 3.68 2.12 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 1.52 0.70 0.91 0.00 0.00 51 D 7.99 4.35 0.00 2.87 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 52 S 8.24 4.08 0.00 3.88 4.09 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 0.00 0.00 0.00 53 L 8.25 4.00 0.00 1.86 1.70 0.92 0.56 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 54 N 8.53 4.30 0.00 2.95 2.87 0.00 0.00 6.91 7.56 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 55 A 7.88 3.93 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 56 Q 7.97 3.88 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 57 V 8.09 3.57 2.27 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 0.97 0.00 0.00 0.93 0.00 0.00 58 K 8.01 3.94 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.59 7.81 59 E 8.36 4.02 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 60 L 8.26 4.05 0.00 1.92 1.73 0.96 0.49 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 61 K 7.90 4.08 0.00 2.11 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.57 7.81 62 T 7.87 3.92 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 1.21 0.00 0.00 63 Q 8.04 4.01 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 64 T 7.68 3.94 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 1.24 0.00 0.00 65 S 8.02 4.24 0.00 4.11 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.40 3.93 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 67 Q 8.00 3.97 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 68 A 7.95 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.03 4.14 0.00 2.05 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 0.00 2.39 2.28 0.00 70 N 7.99 4.27 0.00 2.99 2.86 0.00 0.00 7.06 6.91 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 71 S 8.22 4.15 0.00 4.01 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 72 E 8.54 3.98 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 2.45 0.00 73 V 7.79 3.64 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 1.03 0.00 0.00 1.06 0.00 0.00 74 I 7.84 3.65 2.03 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 0.53 0.88 0.00 0.00 75 K 8.44 4.03 0.00 1.86 2.12 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.55 7.81 76 D 8.66 4.40 0.00 2.96 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 77 L 8.72 4.06 0.00 1.65 1.73 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.29 4.41 0.00 3.18 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 79 E 8.46 3.75 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 80 Y 7.65 4.20 0.00 3.11 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 81 L 7.99 4.61 0.00 1.70 1.88 0.99 0.82 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 82 C 8.86 4.91 0.00 3.16 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 83 N 8.57 4.51 0.00 2.91 3.04 0.00 0.00 7.10 7.68 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 84 V 7.47 4.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 85 R 8.96 4.59 0.00 1.67 1.74 0.00 3.09 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 86 V 8.33 4.35 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 0.88 0.00 0.00 1.00 0.00 0.00 87 H 8.50 4.45 0.00 3.19 3.31 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 88 K 7.64 4.72 0.00 1.76 1.72 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.51 7.81 89 S 8.63 5.28 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 90 Y 8.31 5.04 0.00 3.12 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 91 E 8.74 5.13 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 92 D 9.04 4.68 0.00 2.79 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 93 D 8.87 4.13 0.00 2.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.08 4.39 0.00 3.87 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 95 G 9.03 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.27 5.16 0.00 1.74 1.72 0.91 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 97 W 8.67 6.10 0.00 1.78 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 98 F 8.93 5.55 0.00 2.86 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 99 D 9.07 5.19 0.00 2.78 2.76 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 0.00 100 I 8.55 4.77 0.65 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 1.32 1.05 0.80 0.00 0.00 101 S 8.83 4.81 0.00 3.63 3.72 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 0.00 102 Q 8.84 4.99 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.41 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 103 G 7.59 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 0.00 104 T 8.02 4.56 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *105 H 8.32 4.38 0.00 2.95 2.94 0.00 7.23 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *115 I 7.55 4.08 1.90 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 1.31 0.97 0.94 0.00 0.00 116 M 8.96 4.71 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 117 D 8.79 5.09 0.00 2.94 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 0.00 118 Y 8.19 5.26 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.82 5.49 0.00 1.92 2.17 0.00 1.86 0.00 0.00 2.12 0.00 0.00 3.33 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.76 1.59 7.81 120 L 9.10 5.04 0.00 1.79 1.43 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.19 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 0.00 0.00 0.00 122 F 8.56 5.01 0.00 2.69 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 0.00 123 V 8.21 4.04 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 0.92 0.00 0.00 0.89 0.00 0.00 *129 V 7.70 4.08 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 0.85 0.00 0.00 0.92 0.00 0.00 130 T 7.88 4.65 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 0.00 131 E 7.94 4.57 0.00 1.76 1.65 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 1.93 2.22 0.00 132 V 8.06 4.15 1.14 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 0.06 0.00 0.00 0.39 0.00 0.00 133 I 7.41 4.58 1.37 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.69 0.88 0.00 0.00 134 Y 8.13 4.79 0.00 2.96 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 0.00 135 A 6.53 4.33 1.27 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 0.00 0.00 136 P 0.00 4.21 0.00 2.00 2.07 0.00 3.47 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 137 V 8.74 4.31 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 0.85 0.00 0.00 1.10 0.00 0.00 138 L 8.21 4.91 0.00 1.70 1.69 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.37 4.04 0.00 1.71 1.90 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.55 7.81 140 Q 7.59 4.39 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 141 R 8.50 4.27 0.00 1.79 1.87 0.00 3.36 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 142 S 8.61 4.14 0.00 4.18 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 0.00 143 T 8.95 3.95 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 1.23 0.00 0.00 144 E 8.35 4.03 0.00 2.26 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 2.40 2.46 0.00 145 E 8.69 3.98 0.00 2.11 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 2.36 2.44 0.00 146 L 8.07 3.66 0.00 1.91 1.81 0.98 0.89 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 0.00 147 Y 7.83 4.65 0.00 3.07 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 0.00 148 S 7.92 4.02 0.00 4.15 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 0.00 149 L 8.85 4.15 0.00 1.84 1.95 1.02 0.14 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 0.00 150 Q 7.68 4.05 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 1.57 2.21 0.00 151 S 7.33 4.16 0.00 3.77 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 0.00 152 K 7.41 4.19 0.00 1.76 2.05 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.69 7.81 153 L 7.43 4.56 0.00 1.94 1.47 0.56 0.67 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 0.00 154 P 0.00 4.14 0.00 0.97 1.66 0.00 3.26 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 155 E 8.70 3.93 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 156 Y 7.82 4.44 0.00 3.17 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 0.00 157 L 7.63 4.49 0.00 1.33 1.28 0.45 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.37 4.94 0.00 3.16 3.07 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 0.00 159 E 8.19 4.89 0.00 2.02 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 2.34 2.41 0.00 160 T 8.60 4.18 4.29 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 1.32 0.00 0.00 161 L 8.36 5.03 0.00 1.96 1.71 1.41 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.57 4.99 0.00 3.61 3.54 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 0.00 0.00 0.00 0.00 163 F 7.22 5.04 0.00 2.93 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 0.00 164 P 0.00 4.60 0.00 2.23 2.20 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 165 L 8.51 3.90 0.00 1.72 1.69 0.93 0.92 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 0.00 166 S 8.14 4.42 0.00 3.86 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 0.00 167 S 8.00 4.48 0.00 3.87 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 0.00 168 L 8.17 3.76 0.00 1.81 1.71 1.03 0.54 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 0.00 169 N 8.24 4.26 0.00 2.83 2.84 0.00 0.00 7.02 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 0.00 170 Q 7.96 3.99 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 171 F 8.17 3.92 0.00 2.65 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 0.00 172 Y 8.59 4.22 0.00 3.18 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.22 3.93 0.00 2.88 2.77 0.00 0.00 7.10 8.05 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 0.00 174 K 7.87 3.78 0.00 1.60 1.69 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.70 7.81 175 I 7.23 3.50 1.64 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.76 0.69 0.00 0.00 176 A 7.28 3.80 0.97 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 0.00 0.00 177 K 7.88 3.95 0.00 1.61 1.81 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.50 7.81 178 S 7.48 4.31 0.00 3.71 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 0.00 179 L 7.32 4.35 0.00 1.61 1.53 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.