NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.3388 8.3049 120.3537 54.7765 33.5121 174.9855 0 D 4.2112 8.5021 124.5647 54.4068 41.3320 176.2892 1 S 4.1300 8.7403 121.6905 61.8326 63.6501 175.9547 2 S 4.1426 8.0459 117.1743 61.0867 62.8269 175.6608 3 E 3.9710 8.0008 124.1125 57.8913 29.5170 178.6489 4 M 3.9801 8.2437 118.2251 59.0292 32.2748 178.4483 5 S 4.2324 7.9971 114.5491 61.6515 62.5919 176.7366 6 T 3.9214 8.4012 118.8714 65.9767 67.8149 176.5433 7 I 3.9535 7.4826 121.0300 64.1872 37.9477 177.3563 8 C 4.5702 8.2334 117.1142 59.8011 39.6581 175.4731 9 D 4.9996 7.9255 117.7830 54.4786 40.3943 176.8768 10 K 4.6053 8.1753 116.0892 55.8403 34.8635 176.3577 11 T 4.5990 7.4333 109.5938 59.8707 70.7131 175.3616 12 L 4.1761 8.4267 120.0215 55.2616 41.8554 177.6352 13 N 4.6735 8.2770 112.8133 50.9583 41.5177 172.7905 14 P 4.4164 0.0000 0.0000 65.7615 31.8568 177.8556 15 S 4.1246 8.2314 112.1736 61.7130 62.5902 175.9935 16 F 4.0328 8.3116 124.3874 60.7810 39.0844 177.1578 17 C 4.2873 8.3265 117.4060 59.9998 43.5066 175.7049 18 L 3.9275 8.5818 120.6203 57.6951 41.1974 179.4600 19 K 3.9372 8.3506 119.9641 59.1817 31.9966 178.7201 20 F 3.9465 8.2792 121.3432 61.3507 39.4054 177.1800 21 L 3.9709 8.2085 118.7703 57.8775 41.1770 179.3704 22 N 4.4345 8.0057 115.6078 56.5076 38.5089 177.3833 23 T 3.9342 7.4991 116.2981 66.5772 68.6334 176.7799 24 K 3.7243 7.7419 119.5257 57.7520 33.3116 177.5780 25 F 4.6109 8.2422 116.2973 55.3626 39.0865 174.0592 26 A 4.5153 7.5022 124.5390 50.2676 20.6727 177.5945 27 S 4.1865 8.4448 115.4629 57.3144 62.9723 172.6336 28 P 4.3145 0.0000 0.0000 63.1775 31.6488 175.9424 29 N 4.8260 8.2901 117.9453 51.3321 40.6037 176.0546 30 L 3.9497 8.2996 120.4611 58.2033 41.5756 179.5945 31 Q 3.9187 8.2264 116.8956 59.1833 28.7385 178.6787 32 A 3.9003 8.4551 121.5089 55.4821 18.3316 179.7344 33 L 3.9539 8.0525 116.9815 57.7670 41.5965 179.6557 34 A 3.9620 8.1967 120.8638 55.0123 18.3998 179.4924 35 K 3.9035 8.8000 118.8765 59.9676 32.2024 179.0925 36 T 3.8583 8.0497 115.7949 67.0503 68.4856 176.5026 37 T 3.9155 7.8616 117.5561 67.0608 68.5567 176.5513 38 L 4.1195 8.3738 120.7835 57.6895 41.5292 179.2280 39 D 4.3070 8.1034 118.8575 57.5771 40.7632 178.9342 40 S 4.1312 8.1767 115.4446 62.0649 62.7707 177.0924 41 T 3.9020 8.0147 118.1854 66.7323 68.1571 176.8327 42 Q 3.9765 8.6589 120.1410 58.8315 28.7126 178.5196 43 A 3.9245 8.2475 121.9997 55.2264 18.4888 179.3044 44 R 3.8042 8.2328 116.6526 59.6470 30.0063 178.4783 45 A 4.0506 8.2988 120.3630 55.6282 18.4908 179.5150 46 T 3.7753 8.0161 114.2752 66.9760 68.5294 176.7030 47 Q 3.9290 8.0990 119.5988 59.3740 28.6997 179.0303 48 T 3.6387 7.7148 116.5800 66.4581 68.3322 176.4532 49 L 3.7835 7.8801 122.4368 58.0168 42.2261 179.1916 50 K 3.9446 8.0475 118.5022 59.2022 31.9202 179.1908 51 K 3.9558 8.0944 119.9078 58.8948 32.2061 179.0214 52 L 3.7241 8.0485 119.8506 57.7826 41.5061 179.2337 53 Q 3.9683 7.8988 117.9713 59.0670 28.6246 178.9138 54 S 3.9977 7.8135 113.3818 61.6072 62.2435 176.0014 55 I 3.5798 7.4458 121.2884 64.7864 37.2477 178.1588 56 I 3.9371 7.5821 119.9540 64.4034 36.7730 178.2350 57 D 4.5188 8.2894 119.4109 56.8409 40.7250 178.1530 58 G 3.7982 7.9313 103.8773 43.9513 0.0000 173.8253 59 G 4.1146 9.1785 109.0498 46.3367 0.0000 173.4483 60 V 4.4827 7.7659 113.6952 58.4688 35.8743 173.9845 61 D 4.4816 8.7149 121.8233 53.4654 40.6151 175.8018 62 P 4.1903 0.0000 0.0000 65.9490 31.3104 178.7030 63 R 3.8944 7.9259 116.7007 59.5571 30.1279 178.6310 64 S 3.8864 8.3915 114.8306 61.5487 62.8670 176.4098 65 K 4.0811 8.1494 122.2542 59.5590 31.6882 178.4965 66 L 3.9328 7.7297 120.1868 57.8571 42.1102 178.5059 67 A 3.9084 7.5972 120.4761 55.5122 18.2964 179.2258 68 Y 4.3139 8.2926 115.3323 61.4949 38.0762 178.9720 69 R 4.1126 8.3556 118.9944 59.3849 30.0492 179.2736 70 S 4.1169 8.0813 114.8656 61.9063 62.9352 175.7875 71 C 4.2747 8.1477 119.0695 60.2289 40.3418 176.3127 72 V 3.6558 8.3478 119.9651 66.4497 30.9345 177.8475 73 D 4.3629 8.0812 118.0892 57.1903 40.5791 178.3221 74 E 3.8735 8.3877 119.8576 59.6718 29.5455 178.5814 75 Y 3.8629 8.5898 116.9530 61.0494 38.0425 178.2435 76 E 4.0396 8.6125 119.7750 59.6116 29.5541 179.7968 77 S 4.0903 7.9850 114.7203 61.4287 62.8858 176.2019 78 A 3.9382 7.9790 123.6030 55.4151 17.9700 179.5189 79 I 3.7658 8.5178 118.4256 64.6213 37.2734 178.6415 80 G 3.7456 7.9206 105.8382 48.0956 0.0000 175.1809 81 N 4.3735 8.6379 119.4879 56.0705 38.5829 177.4742 82 L 4.0541 8.3231 120.6108 57.7775 41.6742 179.4466 83 E 4.0067 8.5045 118.7242 59.5431 29.3635 179.2480 84 E 3.9471 8.3497 118.2750 59.4092 29.4802 179.1648 85 A 4.0703 8.4421 121.1616 55.2202 18.4018 179.4826 86 F 3.9422 8.4136 119.0561 61.3675 39.4088 177.0649 87 E 3.9751 8.2214 118.2245 59.8478 29.2214 179.0322 88 H 4.1450 8.2771 116.2365 58.9063 28.8293 177.3573 89 L 3.8136 8.2047 122.1460 58.2273 41.5397 178.9323 90 A 3.8397 7.5102 119.3320 55.1862 18.4739 179.2168 91 S 4.3533 8.0334 110.6770 58.6914 62.9511 175.1189 92 G 3.8319 7.7051 109.7892 46.8300 0.0000 175.2576 93 D 4.7171 8.0380 121.8938 52.3265 38.6260 176.5972 94 G 3.7137 8.0414 110.7476 47.4997 0.0000 171.6805 95 M 4.0953 8.1031 120.1960 58.3461 32.3639 178.0004 96 G 3.5604 8.9972 107.2384 47.2255 0.0000 174.8133 97 M 4.0209 8.2979 121.0985 58.3771 32.2424 177.6616 98 N 4.2537 8.2854 117.1003 57.1711 39.1621 176.1706 99 M 3.9654 7.9942 119.7727 58.5614 32.0756 178.5919 100 K 3.8581 8.1126 118.0175 59.8906 32.3922 179.5224 101 V 3.6233 8.1280 118.4151 65.9943 31.3213 178.0193 102 S 4.0768 8.1410 114.7058 61.5846 62.7476 176.2969 103 A 3.9510 7.8746 122.8447 55.3686 18.0661 179.5052 104 A 3.8858 7.9504 118.9416 55.1097 18.4289 179.3584 105 L 3.8428 8.2635 119.2306 58.5167 41.9643 178.7324 106 D 4.3982 8.3225 118.7638 57.5156 40.8284 178.8251 107 G 4.1406 7.9853 105.5801 48.0165 0.0000 175.0086 108 A 3.6561 8.1595 124.0175 54.6815 18.4217 178.9418 109 D 4.2958 8.3850 116.5639 58.0389 41.1507 178.8105 110 T 3.8235 8.7918 117.0961 66.7606 68.2174 175.6472 111 C 4.2547 7.9781 119.2065 59.6316 40.7410 175.2446 112 L 4.1557 7.7614 119.9508 58.1566 41.2441 179.0133 113 D 4.3059 8.0456 118.4769 57.5667 40.6766 178.5246 114 D 4.4855 8.2792 119.0202 56.2544 41.1898 177.7407 115 V 4.2892 7.3337 116.7103 60.9104 33.2299 177.1457 116 K 4.0818 8.2768 121.1539 60.2385 32.4241 179.1260 117 R 4.1572 7.8392 115.1703 56.8027 28.6518 176.7366 118 L 4.2262 7.5079 119.9856 54.2623 42.2225 178.5294 119 R 4.1852 8.4304 121.1311 58.7994 30.4129 176.9708 120 S 4.6473 7.2518 109.3139 56.8711 65.6004 173.1356 121 V 4.5227 7.9317 124.6634 60.8801 34.8357 174.3348 122 D 4.5768 8.9928 124.6573 53.5399 41.0949 176.8786 123 S 4.1447 8.9926 123.3947 61.9141 62.5426 176.1350 124 S 4.0489 8.3369 116.4241 61.5160 62.1487 176.6455 125 V 3.6159 7.8495 120.5442 65.7028 31.2393 178.2780 126 V 3.6129 7.6443 117.6180 66.0209 31.5727 177.4623 127 N 4.3227 8.4990 116.5713 56.6281 38.4809 176.9548 128 N 4.3349 8.1502 117.6345 56.7235 38.7260 177.6776 129 S 4.5319 8.0411 117.3916 61.0428 62.9029 176.9541 130 K 4.0575 8.2540 121.2692 59.5402 31.7440 179.5169 131 T 3.8718 8.5573 116.3376 66.9373 68.4172 176.6275 132 I 3.7774 8.3026 121.8666 64.4135 37.0664 178.7458 133 K 4.0242 7.9202 118.8858 59.3105 32.0163 179.0968 134 N 4.3073 8.3115 116.7547 56.3364 38.5438 177.1111 135 L 3.9774 8.2003 120.5412 58.4375 41.8226 179.3566 136 C 4.1543 8.5835 116.8038 62.9619 28.0823 176.6902 137 G 3.6194 8.0837 107.1165 47.7775 0.0000 175.6937 138 I 3.6683 7.6524 121.8810 64.0867 37.2077 178.1460 139 A 4.0181 7.9750 121.4127 55.2971 17.9251 179.5492 140 L 3.8979 7.7915 116.0874 58.2386 42.0086 179.4757 141 V 3.6451 7.7193 117.7563 65.9918 31.3165 177.6148 142 I 3.6741 7.9839 119.3516 64.8486 37.2758 178.2149 143 S 4.0766 8.5817 114.8749 62.0881 62.2153 176.4606 144 N 4.3887 8.0718 118.8834 56.0852 38.3726 176.5834 145 M 4.2554 8.0076 118.0571 55.3586 32.7089 176.8465 146 L 4.0949 6.9975 119.6313 53.7670 42.3838 175.3635 147 P 4.2066 0.0000 0.0000 62.8702 31.6999 176.4492 148 R 4.3579 8.2089 122.9863 54.3751 31.7266 175.7460 149 N 4.4109 8.7256 116.1542 53.8974 38.5216 175.1162 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 8.30 4.34 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 0 D 8.50 4.21 0.00 2.80 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 1 S 8.74 4.13 0.00 3.86 3.92 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 2 S 8.05 4.14 0.00 4.04 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 3 E 8.00 3.97 0.00 2.02 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 2.34 2.21 0.00 4 M 8.24 3.98 0.00 2.11 2.16 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 2.60 2.60 0.00 5 S 8.00 4.23 0.00 4.03 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 6 T 8.40 3.92 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 1.21 0.00 0.00 7 I 7.48 3.95 2.01 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 1.52 0.71 0.94 0.00 0.00 8 C 8.23 4.57 0.00 3.01 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 9 D 7.93 5.00 0.00 2.75 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 10 K 8.18 4.61 0.00 1.83 1.77 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.55 7.81 11 T 7.43 4.60 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 1.26 0.00 0.00 12 L 8.43 4.18 0.00 1.65 1.72 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.28 4.67 0.00 2.70 2.67 0.00 0.00 7.18 7.02 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 14 P 0.00 4.42 0.00 2.23 2.15 0.00 3.71 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 15 S 8.23 4.12 0.00 4.10 4.19 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 16 F 8.31 4.03 0.00 3.30 3.30 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 17 C 8.33 4.29 0.00 3.24 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 18 L 8.58 3.93 0.00 1.96 1.71 0.94 0.69 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 19 K 8.35 3.94 0.00 1.85 1.82 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.41 7.81 20 F 8.28 3.95 0.00 2.61 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 21 L 8.21 3.97 0.00 1.97 1.75 1.18 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.01 4.43 0.00 2.92 2.85 0.00 0.00 7.09 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 23 T 7.50 3.93 4.19 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 1.09 0.00 0.00 24 K 7.74 3.72 0.00 1.34 0.76 0.00 1.22 0.00 0.00 1.30 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.56 0.32 7.81 25 F 8.24 4.61 0.00 2.88 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 26 A 7.50 4.52 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 27 S 8.44 4.19 0.00 3.84 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 28 P 0.00 4.31 0.00 2.21 2.05 0.00 3.81 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 1.99 1.97 0.00 29 N 8.29 4.83 0.00 2.99 2.97 0.00 0.00 6.12 6.67 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 30 L 8.30 3.95 0.00 1.69 1.76 0.93 0.94 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 31 Q 8.23 3.92 0.00 2.18 2.11 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 2.42 2.35 0.00 32 A 8.46 3.90 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 33 L 8.05 3.95 0.00 1.90 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.20 3.96 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 35 K 8.80 3.90 0.00 1.83 1.99 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.30 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.58 1.68 7.81 36 T 8.05 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 37 T 7.86 3.92 4.40 0.00 0.00 0.00 0.00 0.00 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 38 L 8.37 4.12 0.00 1.93 1.95 1.06 1.39 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 39 D 8.10 4.31 0.00 3.04 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 40 S 8.18 4.13 0.00 4.06 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 41 T 8.01 3.90 4.28 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 1.26 0.00 0.00 42 Q 8.66 3.98 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 43 A 8.25 3.92 1.36 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 44 R 8.23 3.80 0.00 2.06 2.14 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 45 A 8.30 4.05 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 46 T 8.02 3.78 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 1.18 0.00 0.00 47 Q 8.10 3.93 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 48 T 7.71 3.64 3.46 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 0.54 0.00 0.00 49 L 7.88 3.78 0.00 1.66 1.74 0.95 0.73 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 50 K 8.05 3.94 0.00 1.93 1.79 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.56 7.81 51 K 8.09 3.96 0.00 1.74 1.66 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.30 1.35 7.81 52 L 8.05 3.72 0.00 1.76 1.65 0.93 0.77 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 53 Q 7.90 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 54 S 7.81 4.00 0.00 3.93 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 55 I 7.45 3.58 1.53 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.54 0.00 0.00 56 I 7.58 3.94 2.01 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 1.60 1.14 0.93 0.00 0.00 57 D 8.29 4.52 0.00 2.73 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 58 G 7.93 3.80 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 0.00 0.00 0.00 59 G 9.18 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 0.00 0.00 0.00 60 V 7.77 4.48 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 0.79 0.00 0.00 1.08 0.00 0.00 61 D 8.71 4.48 0.00 2.95 2.83 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 62 P 0.00 4.19 0.00 2.18 2.18 0.00 3.61 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 2.13 2.20 0.00 63 R 7.93 3.89 0.00 1.86 2.11 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 64 S 8.39 3.89 0.00 4.07 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 65 K 8.15 4.08 0.00 1.89 2.02 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.53 7.81 66 L 7.73 3.93 0.00 1.87 1.72 0.92 1.02 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 67 A 7.60 3.91 1.16 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 0.00 0.00 68 Y 8.29 4.31 0.00 3.00 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 69 R 8.36 4.11 0.00 2.11 2.03 0.00 3.16 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 70 S 8.08 4.12 0.00 4.15 4.12 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 71 C 8.15 4.27 0.00 3.40 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 72 V 8.35 3.66 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 1.15 0.00 0.00 1.03 0.00 0.00 73 D 8.08 4.36 0.00 2.95 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 74 E 8.39 3.87 0.00 2.27 1.80 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 2.28 2.35 0.00 75 Y 8.59 3.86 0.00 3.17 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 76 E 8.61 4.04 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 77 S 7.98 4.09 0.00 4.00 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 78 A 7.98 3.94 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 79 I 8.52 3.77 2.05 0.00 0.00 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 1.48 0.58 0.95 0.00 0.00 80 G 7.92 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 81 N 8.64 4.37 0.00 2.86 3.07 0.00 0.00 7.09 6.78 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 82 L 8.32 4.05 0.00 2.02 1.76 0.96 0.86 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 83 E 8.50 4.01 0.00 2.19 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 2.30 2.58 0.00 84 E 8.35 3.95 0.00 2.33 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 2.34 2.37 0.00 85 A 8.44 4.07 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 86 F 8.41 3.94 0.00 3.31 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 87 E 8.22 3.98 0.00 2.10 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 2.41 2.53 0.00 88 H 8.28 4.14 0.00 3.31 3.51 0.00 5.64 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 89 L 8.20 3.81 0.00 1.59 1.48 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.51 3.84 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 91 S 8.03 4.35 0.00 4.02 3.92 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 92 G 7.71 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 0.00 0.00 0.00 93 D 8.04 4.72 0.00 2.75 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 94 G 8.04 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 M 8.10 4.10 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 96 G 9.00 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 97 M 8.30 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 98 N 8.29 4.25 0.00 2.89 2.95 0.00 0.00 7.27 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 99 M 7.99 3.97 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 100 K 8.11 3.86 0.00 2.15 1.92 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.62 7.81 101 V 8.13 3.62 2.09 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 1.11 0.00 0.00 0.99 0.00 0.00 102 S 8.14 4.08 0.00 4.09 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 0.00 103 A 7.87 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.95 3.89 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 0.00 105 L 8.26 3.84 0.00 1.80 1.86 0.92 1.16 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 0.00 106 D 8.32 4.40 0.00 2.92 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 0.00 107 G 7.99 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 0.00 0.00 0.00 0.00 108 A 8.16 3.66 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 0.00 109 D 8.39 4.30 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.79 3.82 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 1.30 0.00 0.00 111 C 7.98 4.25 0.00 3.00 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 0.00 112 L 7.76 4.16 0.00 2.05 1.72 0.94 1.23 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 0.00 113 D 8.05 4.31 0.00 2.85 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 0.00 114 D 8.28 4.49 0.00 2.75 2.74 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 0.00 115 V 7.33 4.29 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 0.80 0.00 0.00 0.81 0.00 0.00 116 K 8.28 4.08 0.00 1.95 2.11 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.62 1.40 7.81 117 R 7.84 4.16 0.00 1.79 2.00 0.00 3.35 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 118 L 7.51 4.23 0.00 1.71 1.66 0.57 0.75 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 0.00 119 R 8.43 4.19 0.00 1.79 1.99 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 120 S 7.25 4.65 0.00 3.78 3.69 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 0.00 121 V 7.93 4.52 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 0.94 0.00 0.00 0.94 0.00 0.00 122 D 8.99 4.58 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.99 4.14 0.00 4.09 4.16 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 0.00 124 S 8.34 4.05 0.00 3.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.85 3.62 2.31 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 1.08 0.00 0.00 0.86 0.00 0.00 126 V 7.64 3.61 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 1.05 0.00 0.00 1.03 0.00 0.00 127 N 8.50 4.32 0.00 2.75 2.87 0.00 0.00 7.10 6.55 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 0.00 128 N 8.15 4.33 0.00 2.91 2.88 0.00 0.00 7.12 7.62 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 0.00 129 S 8.04 4.53 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 4.06 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.70 7.81 131 T 8.56 3.87 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 1.23 0.00 0.00 132 I 8.30 3.78 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.97 0.97 0.00 0.00 133 K 7.92 4.02 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.73 7.81 134 N 8.31 4.31 0.00 2.94 2.87 0.00 0.00 7.03 6.30 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 0.00 135 L 8.20 3.98 0.00 1.84 1.75 0.95 0.83 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 0.00 136 C 8.58 4.15 0.00 3.15 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 0.00 137 G 8.08 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 0.00 138 I 7.65 3.67 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 1.46 1.04 0.92 0.00 0.00 139 A 7.98 4.02 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 0.00 140 L 7.79 3.90 0.00 1.84 1.75 0.92 0.83 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 0.00 141 V 7.72 3.65 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 1.03 0.00 0.00 1.01 0.00 0.00 142 I 7.98 3.67 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 1.58 0.62 0.90 0.00 0.00 143 S 8.58 4.08 0.00 4.16 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 0.00 144 N 8.07 4.39 0.00 2.93 2.92 0.00 0.00 7.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 M 8.01 4.26 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 146 L 7.00 4.09 0.00 1.84 1.58 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.21 0.00 2.02 1.98 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 148 R 8.21 4.36 0.00 1.73 1.83 0.00 3.30 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 149 N 8.73 4.41 0.00 2.74 2.75 0.00 0.00 6.72 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