NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0733 8.0549 120.3908 62.5936 32.7228 174.6823 2 L 4.2235 8.1633 126.2631 51.8495 42.8978 175.8629 3 S 4.5599 9.4769 119.3240 57.6847 66.3851 175.1083 4 E 4.3123 8.8019 121.3261 59.5962 29.0253 179.8592 5 G 3.6575 8.0870 105.3262 47.8282 0.0000 175.5184 6 E 3.9521 7.9846 121.0540 58.9620 29.3925 179.4217 7 W 4.3622 8.1662 119.0628 59.8202 29.1195 178.3719 8 Q 4.0810 8.5037 119.6766 59.0211 28.5174 178.3482 9 L 4.0342 7.8633 120.0187 57.7518 41.7587 179.5454 10 V 3.7629 7.8617 118.1809 66.2098 31.6113 178.0154 11 L 4.3338 8.5440 118.5719 57.4323 41.1442 178.9166 12 H 4.2690 8.3702 119.0586 59.1657 29.8751 177.6053 13 V 3.5803 7.9401 120.4792 64.2346 31.4064 178.2166 14 W 3.9753 8.3977 128.9840 60.0839 30.2890 177.7506 15 A 4.0178 7.8663 120.1095 55.0641 18.0309 179.4746 16 K 3.9461 7.3449 116.8451 59.4581 32.0648 179.7080 17 V 2.9403 7.0070 118.0558 65.6965 31.0414 177.6488 18 E 3.9211 7.4989 116.2739 58.1239 29.3218 178.5141 19 A 4.2017 7.4867 120.5145 53.8106 19.5409 177.6707 20 D 4.6622 7.7642 116.4797 52.2554 42.7952 175.5709 21 V 3.4915 7.8469 122.9596 65.5014 32.0743 176.7910 22 A 4.0388 7.9639 120.2389 55.0712 18.4385 179.7098 23 G 3.5433 8.1996 105.6017 47.6778 0.0000 175.7481 24 H 4.1636 8.0999 118.4342 58.4069 28.7043 178.0710 25 G 3.5969 8.2321 107.7527 47.8461 0.0000 175.4877 26 Q 3.8306 7.9414 122.0189 58.9346 29.0631 177.9913 27 D 4.2875 7.8385 119.4631 57.3451 40.8431 178.9389 28 I 3.6318 7.7633 120.1772 64.4268 37.1232 178.5606 29 L 3.4704 7.6264 119.7678 57.5412 41.2407 179.7188 30 I 3.5735 7.5016 119.7820 64.2091 37.0417 178.3846 31 R 3.7816 7.9600 119.6531 59.2776 29.8351 178.3724 32 L 3.9534 7.7680 120.0645 58.2448 41.8817 179.0265 33 F 4.5874 7.7357 116.7165 60.5223 38.8826 177.5852 34 K 4.1705 8.1785 117.6500 59.3313 31.9860 179.2324 35 S 4.3419 7.9711 114.5594 59.9686 64.1667 174.2969 36 H 4.6890 8.1138 118.4379 51.7773 29.1708 171.6902 37 P 4.3609 0.0000 0.0000 65.3632 31.5433 177.4013 38 E 4.1359 8.1905 115.8973 59.1267 29.5477 179.0241 39 T 4.0202 8.1267 111.4773 64.4929 68.9741 176.4959 40 L 3.6052 7.8565 123.3151 57.6968 41.7966 178.4358 41 E 4.0765 7.6854 117.4340 58.6572 29.6062 178.4126 42 K 4.4195 7.8643 116.9319 57.2274 32.6323 176.7461 43 F 4.6364 8.0181 118.7921 55.5915 38.5328 176.1289 44 D 4.4266 8.5465 126.7495 57.0185 40.9089 178.5339 45 R 3.8511 7.8476 118.1303 58.3076 30.4602 176.5943 46 F 5.1251 7.9138 113.9957 56.6204 40.4604 176.5184 47 K 4.1682 8.1447 120.3726 59.0092 32.6268 177.6936 48 H 4.4127 8.1629 114.4237 57.3309 29.0387 175.5073 49 L 4.2348 7.3759 121.2791 54.6058 41.8741 176.4128 50 K 4.3599 9.5509 123.4687 57.1670 34.1696 177.1411 51 T 4.6260 7.5115 107.7826 59.5952 72.4827 174.8113 52 E 3.9074 8.5512 121.4843 59.2165 29.7486 178.6556 53 A 3.9642 7.9478 120.4131 55.3319 18.2791 179.2774 54 E 3.9370 7.8772 115.6372 59.8053 29.6740 179.2497 55 M 4.1768 7.9462 118.7246 58.4198 31.8287 179.0533 56 K 3.9697 8.1896 117.4441 58.9181 32.2805 178.6508 57 A 4.3373 7.6117 119.1729 52.2414 18.7899 177.2128 58 S 4.2904 7.4301 114.0965 57.5999 62.9835 174.5076 59 E 3.9841 8.8690 128.9594 59.2744 29.5892 177.9897 60 D 4.4499 8.1565 117.8149 57.1088 41.3675 177.8410 61 L 3.5799 8.0612 121.2147 57.7225 41.9512 178.8079 62 K 3.9180 7.8109 119.7442 59.2855 32.0957 178.9901 63 K 3.9953 8.2672 118.8831 59.8462 32.0271 178.8795 64 H 4.4439 8.4763 118.4900 59.0560 29.8700 177.3858 65 G 3.6210 8.2202 107.8138 47.7535 0.0000 175.8451 66 V 3.5975 7.6442 120.1153 66.0863 31.7059 178.1529 67 T 3.8765 7.7221 115.0779 66.6591 68.3098 176.7194 68 V 3.6084 7.8568 119.9243 66.1979 31.6206 178.2132 69 L 4.3001 7.9212 118.3037 57.8720 41.5371 179.6814 70 T 4.0023 8.3830 116.2036 66.4477 68.2333 176.7037 71 A 4.0253 8.0066 122.5519 55.0664 18.4300 179.4805 72 L 3.7805 8.1602 119.0791 58.0939 42.1107 179.4142 73 G 3.3373 8.4413 105.6358 47.6362 0.0000 175.5623 74 A 4.0340 7.7110 121.8633 54.8230 18.6533 179.6263 75 I 3.8179 7.3960 118.4919 64.5671 37.2697 178.6259 76 L 3.9727 7.7007 119.8112 57.6242 41.1749 179.4959 77 K 4.0239 7.6572 116.7888 58.2083 32.3680 178.6162 78 K 3.9850 7.8009 118.2719 55.8272 32.9547 176.3335 79 K 2.0000 8.2074 118.5111 56.4195 29.7610 174.5961 80 G 3.9916 7.8490 105.5023 45.7792 0.0000 173.5498 81 H 4.6083 7.1702 118.6114 54.9024 27.2272 174.6926 82 H 5.6839 7.2631 111.6737 54.3772 29.7869 176.3992 83 E 3.9302 8.6953 122.1614 60.4475 28.9821 178.6997 84 A 4.0575 7.9836 118.2974 54.9105 18.7572 178.6525 85 E 4.2185 8.1343 116.2595 58.3943 29.9902 178.2487 86 L 4.1807 8.3031 120.6716 57.0233 42.2328 178.5774 87 K 3.9270 8.0774 120.1651 59.0440 32.3135 177.0590 88 P 4.3006 0.0000 0.0000 65.6054 31.1962 178.1076 89 L 4.0001 7.9229 119.5189 58.0083 42.1774 178.6110 90 A 4.1683 8.1251 120.7297 55.2690 18.3327 179.6212 91 Q 3.8215 8.1032 116.8322 59.1220 28.7354 179.2740 92 S 4.0237 7.9902 115.0581 61.7144 63.1148 176.1399 93 H 4.1592 8.5387 119.2896 57.6714 28.0921 177.6267 94 A 3.1482 7.6119 123.1133 54.5666 18.2749 179.3291 95 T 3.8483 7.0932 105.8167 62.4375 69.3934 175.3790 96 K 4.2036 7.4425 120.4418 58.3102 33.4165 176.8845 97 H 4.3141 7.9042 114.0745 56.1875 29.4719 175.4921 98 K 3.8335 7.5554 116.6645 56.3065 28.8034 175.7140 99 I 4.2698 8.3194 118.7061 58.8315 38.6825 175.1542 100 P 4.4669 0.0000 0.0000 62.1291 32.0690 177.6461 101 I 3.4359 8.2822 121.8097 64.4003 36.8546 178.6069 102 K 3.6949 7.8387 119.9518 59.5597 32.0152 178.1029 103 Y 4.1553 7.8323 116.6373 60.3286 37.8933 177.8147 104 L 4.2423 7.9327 120.3277 57.1837 41.8356 178.8923 105 E 3.9682 7.8338 119.1415 59.1646 29.8216 178.4949 106 F 4.4950 7.8386 117.9035 60.9531 39.0488 177.6303 107 I 3.8779 8.0004 117.8223 63.9952 37.8183 178.0827 108 S 4.2313 8.1408 115.9732 61.5801 62.6235 176.4298 109 E 4.0757 8.3673 120.9950 59.2746 29.1215 179.2626 110 A 4.0363 7.9613 120.4986 55.1323 18.4684 179.7108 111 I 3.6698 7.9466 118.3388 64.6906 37.2161 178.7850 112 I 3.8717 7.8153 120.4313 64.4730 36.9220 177.9610 113 H 4.1121 8.3309 119.1378 59.4435 29.7766 177.5505 114 V 3.5687 8.0352 120.1302 65.9797 31.3179 177.9927 115 L 3.8419 7.8980 118.7906 57.7043 41.0277 178.9682 116 H 4.4477 7.8705 117.6945 59.4304 29.9232 177.2898 117 S 4.1663 7.9408 116.1155 60.9557 62.7065 175.9938 118 R 4.2475 7.7201 118.8936 56.5098 32.0098 176.4066 119 H 4.9630 7.9122 115.2445 53.5867 29.3685 172.4496 120 P 4.3372 0.0000 0.0000 65.3448 32.0823 178.9108 121 G 3.7364 8.1809 106.4057 47.9963 0.0000 173.9642 122 D 4.8256 8.1155 116.4400 53.9339 41.8145 176.1846 123 F 4.9684 7.8988 119.8435 56.6091 39.3919 174.2193 124 G 3.8869 7.5544 109.5828 43.9122 0.0000 171.8229 125 A 3.8852 8.4269 120.8929 55.1810 18.3572 179.5146 126 D 4.1821 7.9812 116.8973 56.6498 39.3578 178.6165 127 A 3.9394 7.7022 121.7325 54.5644 18.3667 179.1721 128 Q 3.3094 7.6885 118.3558 59.0719 29.1538 178.8207 129 G 3.4919 8.1593 106.6887 47.6680 0.0000 175.5973 130 A 3.8726 7.7879 122.7134 54.9901 18.4132 179.4116 131 M 4.0078 8.3192 117.0945 58.8200 32.3932 177.8965 132 N 4.3441 8.4669 117.4834 56.7483 39.0752 177.0232 133 K 3.9670 7.9164 119.5083 59.1937 32.0893 179.2700 134 A 3.8534 7.9578 121.2036 55.0563 18.2006 179.7153 135 L 4.1169 8.1371 117.5517 57.7320 41.6690 179.5364 136 E 3.9722 8.3363 118.8161 59.2097 29.4048 178.9644 137 L 3.9777 8.0890 120.4349 58.1169 42.2680 178.7171 138 F 4.1625 8.3230 120.5045 61.5198 39.2468 177.3817 139 R 3.5548 8.2721 117.7093 58.9304 29.9896 178.8553 140 K 3.8303 8.3869 119.8614 59.7758 32.0004 178.5623 141 D 4.4177 8.0591 118.8910 57.0342 40.7366 178.8889 142 I 3.6785 7.2934 120.0212 64.1257 36.9431 178.2537 143 A 3.7996 8.1679 121.8583 54.9198 18.1737 179.5473 144 A 3.9391 7.8995 119.0265 55.2268 18.2906 179.9279 145 K 4.1112 7.8425 115.5045 59.2858 32.0825 179.3167 146 Y 4.0249 8.1759 117.4788 60.8570 37.7992 178.1324 147 K 3.9495 8.4837 120.9096 59.4993 32.0651 178.2385 148 E 3.9454 7.8290 117.8694 59.4411 29.6982 178.4730 149 L 4.3264 7.6538 116.5078 55.4419 42.0251 177.3776 150 G 3.8108 8.1757 106.4858 46.3880 0.0000 173.2102 151 Y 4.1370 8.1767 122.8227 57.7129 38.4147 175.8725 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 V 8.05 4.07 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 1.06 0.00 0.00 0.96 0.00 0.00 2 L 8.16 4.22 0.00 0.71 0.69 0.56 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.48 4.56 0.00 4.06 3.99 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 4 E 8.80 4.31 0.00 2.06 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 2.49 2.38 0.00 5 G 8.09 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 6 E 7.98 3.95 0.00 1.88 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 7 W 8.17 4.36 0.00 3.54 3.15 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 0.00 0.00 0.00 8 Q 8.50 4.08 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 9 L 7.86 4.03 0.00 1.89 1.74 0.89 1.23 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 10 V 7.86 3.76 2.45 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 1.27 0.00 0.00 0.97 0.00 0.00 11 L 8.54 4.33 0.00 1.85 1.80 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.37 4.27 0.00 3.47 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.94 3.58 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 1.12 0.00 0.00 0.88 0.00 0.00 14 W 8.40 3.98 0.00 3.68 3.19 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 0.00 0.00 0.00 15 A 7.87 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.34 3.95 0.00 1.37 1.66 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.43 7.81 17 V 7.01 2.94 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 0.00 0.00 0.01 0.00 0.00 0.37 0.00 0.00 18 E 7.50 3.92 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 2.27 2.15 0.00 19 A 7.49 4.20 1.28 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 0.00 0.00 20 D 7.76 4.66 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.85 3.49 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 1.11 0.00 0.00 0.88 0.00 0.00 22 A 7.96 4.04 1.30 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 0.00 0.00 0.00 23 G 8.20 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 0.00 0.00 0.00 24 H 8.10 4.16 0.00 3.23 3.22 0.00 5.83 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 25 G 8.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.94 3.83 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 27 D 7.84 4.29 0.00 2.91 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 28 I 7.76 3.63 1.94 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 1.51 0.90 0.88 0.00 0.00 29 L 7.63 3.47 0.00 1.33 0.90 0.73 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.50 3.57 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 0.87 0.00 0.00 31 R 7.96 3.78 0.00 1.93 2.07 0.00 3.04 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.77 3.95 0.00 1.72 1.47 1.07 0.93 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 33 F 7.74 4.59 0.00 2.97 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 34 K 8.18 4.17 0.00 1.69 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.60 7.81 35 S 7.97 4.34 0.00 3.72 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 36 H 8.11 4.69 0.00 3.07 2.92 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.36 0.00 2.15 2.12 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 38 E 8.19 4.14 0.00 2.30 2.29 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 2.17 2.51 0.00 39 T 8.13 4.02 4.48 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 0.91 0.00 0.00 40 L 7.86 3.61 0.00 1.26 1.73 -0.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.69 4.08 0.00 2.14 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 2.37 2.44 0.00 42 K 7.86 4.42 0.00 1.95 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.93 7.81 43 F 8.02 4.64 0.00 3.25 2.94 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 44 D 8.55 4.43 0.00 2.63 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 45 R 7.85 3.85 0.00 1.49 1.23 0.00 2.99 0.00 0.00 2.85 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.35 0.00 46 F 7.91 5.13 0.00 2.90 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 47 K 8.14 4.17 0.00 1.87 2.05 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.46 7.81 48 H 8.16 4.41 0.00 3.31 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.38 4.23 0.00 1.67 1.59 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.55 4.36 0.00 1.65 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.48 7.81 51 T 7.51 4.63 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 52 E 8.55 3.91 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 A 7.95 3.96 1.31 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 54 E 7.88 3.94 0.00 2.16 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 2.35 0.00 55 M 7.95 4.18 0.00 2.06 2.25 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 2.80 2.59 0.00 56 K 8.19 3.97 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.61 4.34 1.37 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 0.00 0.00 0.00 58 S 7.43 4.29 0.00 3.85 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 59 E 8.87 3.98 0.00 2.14 1.95 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 2.39 2.45 0.00 60 D 8.16 4.45 0.00 2.90 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 61 L 8.06 3.58 0.00 1.47 1.62 -0.23 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 3.92 0.00 1.80 1.99 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.27 4.00 0.00 2.14 1.92 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.64 7.81 64 H 8.48 4.44 0.00 3.63 3.50 0.00 5.79 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 65 G 8.22 3.62 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 0.00 0.00 0.00 66 V 7.64 3.60 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 1.12 0.00 0.00 0.98 0.00 0.00 67 T 7.72 3.88 4.41 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 1.28 0.00 0.00 68 V 7.86 3.61 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 1.08 0.00 0.00 0.99 0.00 0.00 69 L 7.92 4.30 0.00 1.81 1.82 0.88 0.86 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 70 T 8.38 4.00 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 1.26 0.00 0.00 71 A 8.01 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.16 3.78 0.00 1.71 1.65 0.23 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.34 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 0.00 74 A 7.71 4.03 1.37 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 0.00 0.00 0.00 75 I 7.40 3.82 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.93 0.00 0.00 76 L 7.70 3.97 0.00 1.20 1.53 -0.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 4.02 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.55 7.81 78 K 7.80 3.98 0.00 1.89 1.82 0.00 1.77 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.78 7.81 79 K 8.21 2.00 0.00 1.23 0.74 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.71 7.81 80 G 7.85 3.99 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 0.00 0.00 0.00 81 H 7.17 4.61 0.00 3.18 3.22 0.00 5.80 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 82 H 7.26 5.68 0.00 3.29 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.70 3.93 0.00 2.12 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 2.40 2.49 0.00 84 A 7.98 4.06 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 85 E 8.13 4.22 0.00 2.10 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 2.37 2.43 0.00 86 L 8.30 4.18 0.00 1.79 1.71 0.82 0.44 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 87 K 8.08 3.93 0.00 2.02 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 88 P 0.00 4.30 0.00 2.33 2.31 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 89 L 7.92 4.00 0.00 1.85 1.94 0.98 1.22 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 90 A 8.13 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.10 3.82 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 92 S 7.99 4.02 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 93 H 8.54 4.16 0.00 3.50 3.57 0.00 5.80 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 94 A 7.61 3.15 -0.12 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 0.00 0.00 95 T 7.09 3.85 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 0.89 0.00 0.00 96 K 7.44 4.20 0.00 1.54 1.65 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 7.90 4.31 0.00 3.05 3.18 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.56 3.83 0.00 1.87 1.85 0.00 1.90 0.00 0.00 2.54 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.35 7.81 99 I 8.32 4.27 2.04 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 1.44 0.93 1.09 0.00 0.00 100 P 0.00 4.47 0.00 1.71 1.76 0.00 2.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.78 0.00 101 I 8.28 3.44 1.71 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.71 0.00 0.00 102 K 7.84 3.69 0.00 1.72 1.65 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 0.70 7.81 103 Y 7.83 4.16 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.93 4.24 0.00 1.79 1.76 0.62 0.71 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 0.00 105 E 7.83 3.97 0.00 1.95 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 2.46 2.43 0.00 106 F 7.84 4.50 0.00 3.27 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 0.00 107 I 8.00 3.88 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 1.08 0.00 0.00 108 S 8.14 4.23 0.00 4.21 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 0.00 109 E 8.37 4.08 0.00 2.36 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 2.59 2.60 0.00 110 A 7.96 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.67 2.10 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 1.59 1.13 1.03 0.00 0.00 112 I 7.82 3.87 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.00 1.15 0.00 0.00 113 H 8.33 4.11 0.00 3.39 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.04 3.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 115 L 7.90 3.84 0.00 1.25 0.19 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.45 0.00 3.44 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.94 4.17 0.00 3.95 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 0.00 118 R 7.72 4.25 0.00 1.51 1.55 0.00 2.68 0.00 0.00 2.80 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 119 H 7.91 4.96 0.00 3.21 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.34 0.00 2.03 2.07 0.00 3.65 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 121 G 8.18 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.12 4.83 0.00 2.74 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 0.00 123 F 7.90 4.97 0.00 2.96 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 0.00 124 G 7.55 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 0.00 0.00 0.00 125 A 8.43 3.89 1.26 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 0.00 0.00 126 D 7.98 4.18 0.00 2.86 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 0.00 127 A 7.70 3.94 1.21 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 0.00 0.00 128 Q 7.69 3.31 0.00 1.61 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 129 G 8.16 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 0.00 0.00 0.00 130 A 7.79 3.87 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 0.00 131 M 8.32 4.01 0.00 2.48 2.44 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 132 N 8.47 4.34 0.00 2.95 2.95 0.00 0.00 7.26 7.22 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 0.00 133 K 7.92 3.97 0.00 1.86 1.67 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 7.96 3.85 1.28 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 0.00 0.00 135 L 8.14 4.12 0.00 1.77 1.81 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.34 3.97 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 137 L 8.09 3.98 0.00 1.87 1.97 0.99 1.02 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 0.00 138 F 8.32 4.16 0.00 3.03 3.15 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 0.00 0.00 0.00 139 R 8.27 3.55 0.00 2.00 1.84 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 140 K 8.39 3.83 0.00 1.79 2.01 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.06 4.42 0.00 2.80 2.70 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 0.00 142 I 7.29 3.68 1.51 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.06 0.42 0.00 0.00 143 A 8.17 3.80 1.23 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 0.00 0.00 144 A 7.90 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.11 0.00 2.06 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 146 Y 8.18 4.02 0.00 3.09 3.05 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 0.00 147 K 8.48 3.95 0.00 1.95 2.01 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.83 3.95 0.00 2.04 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 2.35 2.38 0.00 149 L 7.65 4.33 0.00 1.75 1.92 0.81 1.12 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 0.00 150 G 8.18 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.18 4.14 0.00 2.64 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