NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4553 8.2893 118.1955 54.3930 32.8557 176.4285 2 S 4.7502 7.3093 107.0684 57.9314 64.7281 174.6617 3 F 4.6209 7.6520 128.3452 57.3735 42.3959 174.4587 4 F 4.3534 9.2035 113.7178 58.1831 38.0699 175.1772 5 D 4.3425 8.5136 121.4789 55.2339 41.8823 175.7929 6 K 3.9947 8.8356 113.7835 57.5083 31.9128 175.7058 7 V 3.6890 7.3441 119.1081 65.3782 31.3360 176.7224 8 K 3.8055 8.6403 114.4532 56.9034 30.2279 174.9301 9 G 3.6629 7.5288 107.8373 43.1137 0.0000 170.8794 10 A 4.2337 6.9399 126.1485 51.3190 20.7091 176.5094 11 L 4.9467 7.5573 125.0651 54.6202 43.4283 175.9593 12 T 3.9920 8.2809 107.8210 61.9675 69.2900 174.6711 13 S 4.2778 8.7301 113.5179 59.4929 62.5269 175.7285 14 G 3.9818 8.9213 109.2943 48.4044 0.0000 175.9221 15 R 3.9546 7.9459 117.5565 59.4948 29.1833 178.4099 16 E 4.0380 8.0073 120.3539 57.7731 29.7489 178.4007 17 E 3.9392 8.6967 119.0507 59.3917 29.5383 179.1129 18 L 3.7486 7.5142 117.2496 57.3207 41.9275 179.4985 19 T 4.0427 7.5021 115.4633 66.6730 68.7138 177.0661 20 R 4.1031 7.3136 120.7339 58.7423 30.0528 178.9695 21 Q 4.1163 7.7555 117.4371 57.8885 28.6194 178.3480 22 V 3.9187 7.9478 121.3803 64.9616 30.8085 178.1503 23 G 3.8996 7.3460 103.6990 46.4037 0.0000 173.4799 24 R 4.6684 8.5968 118.2850 55.8693 31.8366 174.4422 25 Y 4.3428 9.2231 115.1615 58.5402 40.2251 178.7998 26 K 3.4009 8.2152 114.7245 57.7963 31.6763 176.0953 27 N 4.2821 8.5493 117.4218 52.0597 37.1335 175.4999 28 K 3.1422 7.4997 125.8241 58.2067 32.4182 178.8234 29 K 4.1436 7.5267 118.7163 59.8846 32.3650 177.6750 30 F 4.1796 7.5991 115.0357 60.8716 37.0205 177.0536 31 M 3.8327 6.1147 116.6154 57.7507 32.7100 178.7988 32 Q 4.3108 8.2033 117.7593 58.5145 29.0571 178.8230 33 G 4.0540 8.0967 107.4112 47.5698 0.0000 175.9540 34 T 3.9618 7.4522 111.5371 64.0569 68.6233 176.3611 35 V 3.3260 7.3447 120.9530 65.6475 31.5015 177.3505 36 A 3.9332 7.8834 120.6463 55.7071 18.0465 179.8968 37 V 3.5865 7.5886 109.8961 64.9536 31.3678 178.4431 38 C 3.5083 7.8692 115.4133 62.5813 28.0859 175.9850 39 A 4.3567 8.3240 122.5777 55.2257 16.7380 179.3695 40 R 3.8808 8.1351 117.5228 59.4273 30.1851 177.8717 41 I 4.1027 7.4599 109.1064 62.1814 38.4489 176.2513 42 A 4.4480 8.5115 122.9734 52.6894 18.8621 179.7718 43 V 2.0000 7.2289 109.9365 61.3828 31.8205 178.8134 44 A 3.6826 7.6837 119.5965 53.3286 18.9887 180.1640 45 S 4.5832 8.3301 113.4462 57.9132 62.8991 176.0139 46 D 4.8204 9.0544 111.5520 50.6905 38.9979 173.9732 47 G 3.9563 8.1078 113.1805 47.1049 0.0000 172.8253 48 V 3.5456 7.8254 119.2765 61.8046 32.5807 171.1537 49 S 4.5049 8.6777 118.7170 57.6800 62.4251 174.3880 50 S 5.6863 8.0543 116.1782 59.2148 60.9186 178.3288 51 E 4.3061 7.7602 120.7664 58.6235 29.3630 179.5377 52 E 3.9142 8.0304 118.2988 59.2555 29.7744 178.8851 53 K 3.9269 7.7470 119.9371 59.5150 32.0134 178.4181 54 Q 4.0174 8.0850 117.8825 59.4933 28.2516 178.9655 55 K 3.9650 7.8934 120.3522 59.3937 32.1425 178.6549 56 M 4.0478 7.9913 118.2060 58.9448 31.8292 178.0065 57 I 3.7457 7.6673 118.8182 64.5862 37.7198 178.1166 58 G 3.7224 8.0486 106.2481 47.7505 0.0000 175.2658 59 F 4.1611 8.0631 123.9022 60.2537 39.0657 176.7234 60 L 3.2349 7.1870 118.7119 57.0733 41.5110 179.2888 61 R 3.7974 7.0597 115.8360 58.3643 30.3545 177.5597 62 S 4.4326 7.1723 110.0804 57.3301 63.7411 173.7500 63 S 3.4192 7.2897 117.8851 58.4081 63.8817 174.5401 64 E 4.0235 8.6911 120.0087 58.6589 29.4032 177.8396 65 E 3.9647 8.2110 118.3222 59.0119 29.3062 178.6171 66 L 3.9565 7.3550 118.9342 57.5737 41.6941 178.8223 67 K 4.0573 8.1691 117.6142 59.5237 33.2428 177.9285 68 V 3.2646 8.8036 117.0268 62.3166 29.2553 170.6782 69 F 4.4125 7.6195 123.8000 58.4586 45.7627 173.9272 70 D 4.6716 7.9956 126.4524 54.4723 40.5019 176.9704 71 T 4.0799 8.3542 115.1703 64.2923 68.9086 176.1898 72 A 4.0900 8.1014 123.0169 54.9588 18.1491 179.2835 73 E 4.1084 9.5548 117.7412 59.5635 29.7930 179.1765 74 V 3.9733 7.6573 118.3395 65.9449 31.6257 177.9443 75 I 3.7968 7.9571 112.5440 64.0413 37.2319 177.5614 76 E 3.9090 8.0381 121.5671 59.1611 29.3446 178.6912 77 F 4.3039 8.8024 115.2162 59.9668 38.2293 177.3299 78 F 3.5597 5.5325 121.3648 60.1892 39.1766 176.3866 79 N 3.9079 8.4350 116.7852 56.5247 38.3256 177.5441 80 K 4.1732 7.8060 120.3052 58.8219 32.0261 179.4966 81 L 4.0166 8.2285 119.9963 57.5443 41.2945 180.0480 82 V 2.1929 7.8504 118.4416 64.6843 31.5842 178.1117 83 T 4.0749 7.3610 112.8767 64.4749 67.4526 176.3574 84 S 4.4912 8.7447 117.3839 60.6821 63.0866 175.7116 85 F 4.6499 8.1443 115.9746 57.6707 37.2763 175.7208 86 D 4.6676 7.9731 118.4358 53.5775 38.9554 176.1697 87 F 4.7850 7.1098 118.0352 58.3071 41.8522 174.8265 88 D 3.9933 6.0500 125.4902 51.0906 37.7519 177.4239 89 L 3.9271 8.0104 127.4314 58.5937 42.3155 179.8100 90 E 3.9869 8.0796 117.3508 59.4920 29.8716 179.3149 91 I 3.8674 7.5153 119.1809 63.6351 36.9110 178.4787 92 G 3.7688 8.4842 109.0648 46.8281 0.0000 175.7630 93 K 4.7618 7.0093 122.8719 57.7650 32.5587 179.4958 94 G 3.5508 7.2454 105.6693 47.8152 0.0000 174.9376 95 E 4.2325 7.8416 122.6388 58.4104 29.9643 178.1483 96 T 4.1857 7.5306 110.2618 65.4744 68.3961 175.9021 97 M 2.6912 7.3706 119.7040 57.1042 30.6418 178.5294 98 K 3.8530 8.2939 121.6476 59.4841 32.1610 178.4236 99 Y 4.2890 7.7767 117.8044 59.8789 37.5851 178.4565 100 I 3.7283 6.3206 120.5661 64.1348 37.4439 177.6701 101 L 4.1911 7.5420 119.2714 58.3602 42.2274 177.5504 102 A 3.9948 9.1217 120.9821 51.3616 18.3238 179.0799 103 L 3.7407 6.7363 120.8432 55.7907 43.8136 176.5995 104 K 4.4669 9.5520 118.0233 58.7959 32.1337 175.1243 105 D 4.7361 8.5296 114.0891 52.1280 44.1361 176.7739 106 Q 5.6190 8.0656 129.7177 56.9850 27.7941 174.1837 107 P 4.3633 0.0000 0.0000 65.2032 31.1523 178.2515 108 E 3.9048 8.1014 118.3987 59.5087 29.4062 178.7181 109 A 4.0652 8.0230 118.6344 55.2073 18.7972 179.0653 110 A 4.1220 7.9516 119.4410 55.0754 18.3333 179.6105 111 Q 3.9863 8.2248 117.1930 59.4550 28.7803 179.3954 112 L 4.1371 7.7871 119.3131 57.9606 41.4828 179.4319 113 A 4.0957 7.9198 119.5616 54.9076 18.3423 179.3572 114 L 4.0741 8.2967 119.5118 58.4694 42.3017 179.0755 115 R 4.1185 8.2471 117.5019 59.6577 30.1364 178.7845 116 V 3.2929 8.7242 118.1679 65.9038 31.0930 178.0430 117 G 3.7457 9.0908 106.8989 47.9142 0.0000 175.3840 118 I 3.5052 8.4266 115.8692 63.8779 37.2057 178.0163 119 A 4.2639 8.7570 122.5492 54.7048 17.9513 179.4060 120 V 2.0000 7.9105 116.8554 65.6070 31.4049 177.5722 121 A 4.2732 7.4199 117.9667 52.8357 19.7887 177.2055 122 K 4.7078 8.5353 117.3162 55.4461 32.8954 178.2603 123 S 4.6272 8.1583 115.2059 61.4183 63.9933 175.8343 124 D 4.8440 8.4454 119.9442 51.4208 39.5267 175.0820 125 G 4.2447 7.9692 105.2085 46.8409 0.0000 171.2081 126 N 5.0139 8.0455 115.4660 51.4536 41.6330 174.0483 127 F 3.8748 8.5435 116.3570 59.8155 38.9435 174.9378 128 D 4.6191 7.4465 120.0535 54.8273 37.8894 175.0356 129 D 4.7391 7.3625 119.5558 54.5345 40.9900 177.3857 130 D 4.0818 7.6910 117.8728 55.8890 41.3866 177.4964 131 E 3.7234 7.9363 118.8195 59.4420 29.1181 179.3718 132 K 4.0203 7.5251 118.1367 59.7140 32.1319 179.4374 133 S 4.1203 8.0267 112.4240 60.8055 62.2502 175.9283 134 A 3.9822 8.5913 124.3152 55.3743 18.1586 179.8046 135 V 3.3141 8.2771 111.1926 64.5355 31.4005 178.7115 136 R 3.9829 7.7741 118.4354 59.8414 29.9677 178.5128 137 E 3.9992 7.9564 118.0780 58.8015 29.3996 179.2433 138 I 3.5229 8.4217 119.3813 64.0600 38.1013 177.5773 139 A 3.6687 8.5325 122.2529 55.1883 17.9064 179.9321 140 R 3.8919 7.4068 115.3887 59.4538 30.4155 178.8681 141 S 4.2072 8.0892 113.6680 61.7982 62.9113 176.3742 142 L 4.1755 8.5060 120.4797 56.1035 41.9044 177.8674 143 G 3.5642 5.9584 113.6805 45.7983 0.0000 172.5007 144 F 5.3965 7.4513 123.5815 56.3779 40.6941 175.5295 145 D 4.6483 9.2231 125.9278 54.5177 40.8275 173.7386 146 P 4.3152 0.0000 0.0000 62.4371 30.4004 170.6002 147 A 4.1380 8.3559 128.4461 51.5597 18.5687 178.1973 148 E 5.9800 8.2887 132.6821 57.1490 33.5619 177.7868 149 F 4.5249 8.7349 114.1822 56.1501 40.2261 175.5047 150 G 3.6407 8.9975 111.6964 51.0100 0.0000 178.0745 151 L 2.9597 9.4389 116.2036 54.2399 43.1940 177.5425 152 L 3.6221 8.9045 127.0203 56.2684 39.6606 174.2794 153 E 4.2321 7.8594 120.9370 56.5084 29.8773 176.5696 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 8.29 4.46 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 S 7.31 4.75 0.00 4.09 3.89 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 3 F 7.65 4.62 0.00 2.94 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 4 F 9.20 4.35 0.00 3.32 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 5 D 8.51 4.34 0.00 2.75 2.54 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 6 K 8.84 3.99 0.00 1.96 2.05 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.37 7.81 7 V 7.34 3.69 1.25 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 0.66 0.00 0.00 0.60 0.00 0.00 8 K 8.64 3.81 0.00 1.79 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.43 7.81 9 G 7.53 3.66 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 0.00 0.00 0.00 10 A 6.94 4.23 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 11 L 7.56 4.95 0.00 1.76 1.58 1.10 0.70 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 12 T 8.28 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 1.19 0.00 0.00 13 S 8.73 4.28 0.00 3.85 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 14 G 8.92 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 15 R 7.95 3.95 0.00 2.11 2.25 0.00 2.98 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 16 E 8.01 4.04 0.00 2.08 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 2.40 2.45 0.00 17 E 8.70 3.94 0.00 1.99 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 0.00 2.40 2.45 0.00 18 L 7.51 3.75 0.00 1.48 1.47 0.15 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.50 4.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 20 R 7.31 4.10 0.00 1.93 1.77 0.00 3.30 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 21 Q 7.76 4.12 0.00 1.56 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 22 V 7.95 3.92 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 0.87 0.00 0.00 0.86 0.00 0.00 23 G 7.35 3.90 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 0.00 0.00 0.00 24 R 8.60 4.67 0.00 1.74 1.78 0.00 3.12 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 25 Y 9.22 4.34 0.00 3.05 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 26 K 8.22 3.40 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.40 7.81 27 N 8.55 4.28 0.00 2.44 2.42 0.00 0.00 6.67 7.46 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 28 K 7.50 3.14 0.00 1.51 1.55 0.00 1.15 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.41 7.81 29 K 7.53 4.14 0.00 1.98 2.13 0.00 1.25 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.33 7.81 30 F 7.60 4.18 0.00 3.38 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 31 M 6.11 3.83 0.00 1.01 1.44 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 2.47 2.41 0.00 32 Q 8.20 4.31 0.00 2.40 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.96 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 33 G 8.10 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 0.00 0.00 0.00 34 T 7.45 3.96 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 35 V 7.34 3.33 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 -0.86 0.00 0.00 0.75 0.00 0.00 36 A 7.88 3.93 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 37 V 7.59 3.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.03 0.00 0.00 38 C 7.87 3.51 0.00 3.00 3.06 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 39 A 8.32 4.36 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 40 R 8.14 3.88 0.00 1.86 2.15 0.00 3.37 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 41 I 7.46 4.10 1.96 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.94 1.01 0.00 0.00 42 A 8.51 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.23 2.00 1.73 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 0.78 0.00 0.00 0.73 0.00 0.00 44 A 7.68 3.68 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 45 S 8.33 4.58 0.00 4.05 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 46 D 9.05 4.82 0.00 2.66 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 47 G 8.11 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 48 V 7.83 3.55 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 0.77 0.00 0.00 0.89 0.00 0.00 49 S 8.68 4.50 0.00 3.96 3.52 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 50 S 8.05 5.69 0.00 4.02 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 51 E 7.76 4.31 0.00 2.11 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 2.34 2.22 0.00 52 E 8.03 3.91 0.00 2.05 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 2.39 2.40 0.00 53 K 7.75 3.93 0.00 1.79 1.83 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.63 7.81 54 Q 8.08 4.02 0.00 2.35 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 55 K 7.89 3.96 0.00 2.18 1.93 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 56 M 7.99 4.05 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 57 I 7.67 3.75 1.99 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 1.00 0.87 0.00 0.00 58 G 8.05 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 0.00 0.00 0.00 59 F 8.06 4.16 0.00 3.08 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 60 L 7.19 3.23 0.00 1.43 1.37 -0.12 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.06 3.80 0.00 1.76 1.86 0.00 3.01 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 62 S 7.17 4.43 0.00 3.85 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 63 S 7.29 3.42 0.00 3.68 2.63 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 64 E 8.69 4.02 0.00 2.38 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 2.51 2.52 0.00 65 E 8.21 3.96 0.00 1.89 1.94 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 2.44 2.43 0.00 66 L 7.35 3.96 0.00 1.56 1.75 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.17 4.06 0.00 1.99 2.04 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.60 7.81 68 V 8.80 3.26 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.00 0.00 0.00 69 F 7.62 4.41 0.00 3.11 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 70 D 8.00 4.67 0.00 2.77 2.71 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 71 T 8.35 4.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 72 A 8.10 4.09 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 73 E 9.55 4.11 0.00 2.16 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 2.58 2.62 0.00 74 V 7.66 3.97 2.26 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 1.37 0.00 0.00 1.14 0.00 0.00 75 I 7.96 3.80 2.00 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 1.43 0.76 0.92 0.00 0.00 76 E 8.04 3.91 0.00 2.41 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 0.00 2.60 2.68 0.00 77 F 8.80 4.30 0.00 3.48 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 5.53 3.56 0.00 1.70 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 79 N 8.43 3.91 0.00 2.79 2.76 0.00 0.00 7.03 6.00 0.00 0.00 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 K 7.81 4.17 0.00 2.21 1.98 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.68 7.81 81 L 8.23 4.02 0.00 1.95 1.80 1.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.85 2.19 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 0.31 0.00 0.00 0.52 0.00 0.00 83 T 7.36 4.07 4.14 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 1.27 0.00 0.00 84 S 8.74 4.49 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.14 4.65 0.00 3.14 3.35 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 86 D 7.97 4.67 0.00 2.78 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 87 F 7.11 4.78 0.00 2.93 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 88 D 6.05 3.99 0.00 2.19 1.54 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 89 L 8.01 3.93 0.00 1.70 1.68 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.08 3.99 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 91 I 7.52 3.87 1.40 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.57 0.18 0.00 0.00 92 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 93 K 7.01 4.76 0.00 2.12 2.11 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.42 7.81 94 G 7.25 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 4.23 0.00 2.16 1.94 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 2.42 2.62 0.00 96 T 7.53 4.19 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 97 M 7.37 2.69 0.00 1.92 0.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 98 K 8.29 3.85 0.00 1.86 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.40 7.81 99 Y 7.78 4.29 0.00 3.32 3.28 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 0.00 0.00 0.00 100 I 6.32 3.73 1.75 0.00 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.14 1.20 0.00 0.00 101 L 7.54 4.19 0.00 1.88 1.76 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.12 3.99 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 0.00 103 L 6.74 3.74 0.00 2.00 1.95 1.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.55 4.47 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.55 7.81 105 D 8.53 4.74 0.00 2.70 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 0.00 106 Q 8.07 5.62 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 107 P 0.00 4.36 0.00 2.30 2.29 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 108 E 8.10 3.90 0.00 2.00 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 2.40 2.28 0.00 109 A 8.02 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.95 4.12 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 0.00 111 Q 8.22 3.99 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 112 L 7.79 4.14 0.00 1.95 2.03 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.92 4.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.30 4.07 0.00 1.74 1.77 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.25 4.12 0.00 2.22 2.22 0.00 3.51 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 116 V 8.72 3.29 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 1.06 0.00 0.00 -0.65 0.00 0.00 117 G 9.09 3.75 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 0.00 0.00 0.00 118 I 8.43 3.51 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.99 0.96 0.00 0.00 119 A 8.76 4.26 1.60 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 0.00 120 V 7.91 2.00 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 0.30 0.00 0.00 -0.09 0.00 0.00 121 A 7.42 4.27 1.25 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 0.00 0.00 122 K 8.54 4.71 0.00 1.99 1.96 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.40 7.81 123 S 8.16 4.63 0.00 3.94 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 0.00 124 D 8.45 4.84 0.00 2.71 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 0.00 125 G 7.97 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 0.00 0.00 0.00 0.00 126 N 8.05 5.01 0.00 2.79 2.88 0.00 0.00 7.05 7.49 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 0.00 127 F 8.54 3.87 0.00 3.32 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 0.00 128 D 7.45 4.62 0.00 2.92 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 0.00 129 D 7.36 4.74 0.00 2.84 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 0.00 130 D 7.69 4.08 0.00 2.64 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 0.00 131 E 7.94 3.72 0.00 1.84 1.94 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 1.88 1.97 0.00 132 K 7.53 4.02 0.00 1.76 1.88 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.68 7.81 133 S 8.03 4.12 0.00 3.88 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 0.00 134 A 8.59 3.98 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 0.00 135 V 8.28 3.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 1.23 0.00 0.00 136 R 7.77 3.98 0.00 1.87 2.05 0.00 3.11 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 137 E 7.96 4.00 0.00 1.96 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 2.32 2.45 0.00 138 I 8.42 3.52 2.02 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 1.48 1.19 0.93 0.00 0.00 139 A 8.53 3.67 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.41 3.89 0.00 1.87 1.96 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 141 S 8.09 4.21 0.00 3.68 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 0.00 142 L 8.51 4.18 0.00 0.27 1.33 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 143 G 5.96 3.56 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 0.00 0.00 0.00 144 F 7.45 5.40 0.00 3.09 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 0.00 145 D 9.22 4.65 0.00 2.88 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 0.00 146 P 0.00 4.32 0.00 2.07 2.09 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 147 A 8.36 4.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.29 5.98 0.00 1.77 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 1.91 2.00 0.00 149 F 8.73 4.52 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 0.00 150 G 9.00 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 0.00 151 L 9.44 2.96 0.00 1.79 1.76 1.22 1.28 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 0.00 152 L 8.90 3.62 0.00 1.77 1.79 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.86 4.23 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00