NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4757 8.3044 118.1946 55.2777 32.5782 174.2736 1 V 4.3040 7.8773 118.3927 60.9586 34.6682 172.8894 2 L 4.5202 8.2363 126.6284 53.4903 44.1337 176.7072 3 S 4.5744 8.6620 117.3957 57.5866 65.4563 175.1451 4 E 4.3097 8.7959 122.3270 59.3711 29.4692 178.9036 5 G 3.6566 8.1127 105.4148 47.9302 0.0000 175.3896 6 E 3.9401 7.9046 121.0139 58.8758 29.3533 179.4739 7 W 4.3247 8.1035 119.0364 59.8709 29.1011 178.6148 8 Q 4.1283 8.6609 118.4797 58.9088 27.9881 178.7827 9 L 4.0834 7.9372 119.7476 57.6593 41.6617 179.7244 10 V 3.7272 7.8848 118.1606 66.2669 31.7032 178.2398 11 L 4.2983 8.5193 118.8098 57.7128 41.1725 179.0482 12 H 4.3139 8.3167 118.3186 59.1748 30.1964 177.3673 13 V 3.7443 7.8524 121.1117 64.3657 31.4057 178.1938 14 W 3.9022 8.5295 128.8720 60.0866 30.2776 177.7691 15 A 4.0152 7.8581 119.9264 54.8393 18.0281 179.5152 16 K 3.9424 7.6969 117.1509 59.3911 32.1902 179.4955 17 V 2.8250 7.2113 117.9635 65.8897 31.0255 177.5640 18 E 3.8944 7.5307 115.7967 58.2612 29.2736 178.6298 19 A 4.2213 7.5739 120.5307 53.8244 20.0374 177.6196 20 D 4.6524 7.8652 116.6833 52.0330 42.6998 175.5009 21 V 3.4675 7.9627 122.9686 65.4062 32.0215 176.8137 22 A 4.0710 7.9727 120.1802 55.0786 18.4581 179.6498 23 G 3.8665 8.1087 105.0729 47.8722 0.0000 175.5224 24 H 4.2315 8.2681 118.9516 58.3113 28.6543 178.1491 25 G 3.6202 8.2294 107.6610 47.7658 0.0000 175.7919 26 Q 3.9218 8.0532 120.3785 58.8502 28.8194 178.4064 27 D 4.3194 7.8202 119.4035 57.5493 40.7948 179.1688 28 I 3.6565 7.7362 119.9319 64.4577 37.0891 178.6129 29 L 3.4423 7.7274 119.7700 57.5044 41.2695 179.6565 30 I 3.7439 7.8756 120.1133 64.2090 36.9587 178.3718 31 R 3.7798 7.9383 119.5454 59.2294 29.8156 178.1894 32 L 3.8743 7.8482 120.1718 58.4204 41.6126 179.0864 33 F 4.5645 8.0387 117.9398 60.4781 38.5379 177.9105 34 K 4.0678 8.1862 117.7558 59.4682 32.0456 179.3262 35 S 4.2917 8.0851 114.6470 60.4352 64.1721 174.5275 36 H 4.7466 8.3392 118.6363 51.8917 29.6853 171.6848 37 P 4.5180 0.0000 0.0000 64.6081 31.2784 177.4700 38 E 4.0996 8.2962 116.2378 59.5883 29.4810 179.1879 39 T 3.7408 8.1158 110.7670 64.4069 68.7507 176.2635 40 L 3.7271 8.0257 123.0471 57.8932 41.7339 178.7050 41 E 4.0652 7.8127 117.9505 59.1681 29.4025 179.0778 42 K 4.2702 8.0120 117.3449 57.4635 32.8667 177.2720 43 F 4.6392 7.9374 119.0754 55.3565 37.9626 175.6935 44 D 4.4048 8.6040 125.5756 57.4179 40.8715 178.6102 45 R 4.2457 8.0716 115.7076 57.8247 30.6519 177.2395 46 V 4.5242 8.2829 115.4721 60.6895 33.2095 177.0868 47 K 4.0242 8.2033 120.1884 59.5735 32.5022 177.3763 48 H 4.4763 8.1374 113.6972 56.4420 29.1839 175.4535 49 L 4.0644 7.2925 121.4863 55.0005 41.6835 176.8981 50 K 4.2791 9.4229 123.8347 57.4271 33.2896 177.1468 51 T 4.7285 7.4429 107.5090 58.9711 73.1474 174.2785 52 E 3.9148 8.6499 121.0654 59.3277 29.4658 178.7023 53 A 4.0243 7.9203 120.5068 55.1536 18.2861 179.3156 54 E 3.9247 7.6993 116.2325 59.6742 29.8474 179.1675 55 M 4.2123 8.1177 118.8396 58.4394 31.8625 179.0372 56 K 4.0489 8.4131 117.3517 58.6137 32.2569 178.3702 57 A 4.4772 7.3564 119.3194 51.4973 19.4549 177.2032 58 S 4.1306 7.3256 113.5487 58.0440 63.0426 174.6206 59 E 3.9887 8.8288 128.5148 59.2576 29.4987 178.3354 60 D 4.2945 7.9815 118.7591 57.0768 40.9401 178.2273 61 L 3.9206 7.8705 120.9634 57.9124 42.0673 178.9594 62 K 3.9419 7.7982 119.5663 59.3856 32.1570 178.9888 63 K 3.9980 8.0352 118.8030 59.8079 31.9920 178.9885 64 H 4.4161 8.4627 116.6585 58.8482 28.5996 178.0963 65 G 3.5935 8.2835 107.5268 47.7887 0.0000 175.9029 66 V 3.6255 7.8171 120.9168 65.9314 31.5240 178.2179 67 T 3.8906 8.0550 115.4303 66.6510 68.2901 176.7748 68 V 3.6435 7.8702 120.0040 66.1785 31.5434 178.1393 69 L 4.2530 8.0119 118.7044 58.0080 41.4201 179.7166 70 T 3.9804 8.3344 115.8078 66.5911 68.5549 176.6830 71 A 4.0129 8.0811 122.7604 55.0111 18.3443 179.4585 72 L 3.7290 8.2240 119.1510 58.1165 42.1722 179.3705 73 G 3.2714 8.5411 105.8568 47.6959 0.0000 175.4671 74 A 4.0168 7.8121 122.1564 54.8330 18.6427 179.6269 75 I 3.7837 7.5028 117.8782 64.5567 37.2430 178.6198 76 L 3.9688 7.7444 119.9424 57.6823 41.1844 179.5900 77 K 3.9857 7.7378 116.7816 58.3846 32.2744 178.7204 78 K 3.9642 7.8011 118.4081 56.0380 32.4476 176.6983 79 K 2.0000 8.2849 117.9637 56.4036 29.7823 175.9840 80 G 3.9407 8.0127 106.4425 45.6447 0.0000 174.2463 81 H 4.5789 7.2683 119.0371 54.9926 27.3608 174.6205 82 H 5.3961 7.5959 111.8103 54.0314 29.6555 176.1411 83 E 3.9870 8.5978 120.9175 60.3904 28.6854 178.9671 84 A 4.0165 7.9239 119.8836 54.8544 18.7335 179.0468 85 E 4.1117 8.1637 116.5084 59.2548 29.5563 179.2528 86 L 4.1152 8.1246 119.2498 57.1934 41.6599 179.2336 87 K 3.9520 7.8248 118.8776 59.1789 32.0876 177.5252 88 P 4.3271 0.0000 0.0000 65.6264 31.2397 178.1916 89 L 4.0083 7.5056 117.3450 58.0902 42.0972 178.8258 90 A 4.2421 8.4723 121.2190 55.0929 18.2170 179.4520 91 Q 3.8939 8.1920 118.4269 59.4108 29.1567 178.6506 92 S 3.9822 8.0839 115.3584 61.7707 63.0576 176.0766 93 H 4.2728 8.5029 119.3702 57.8035 28.2136 177.6502 94 A 2.8920 7.9398 122.7757 54.7292 18.3320 179.5559 95 T 3.7349 7.4605 112.4621 65.8769 68.9998 176.5412 96 K 3.9799 7.5157 120.0392 59.3455 32.6702 177.5131 97 H 4.2947 8.1278 115.6149 56.2855 29.3482 175.5918 98 K 3.2082 6.7380 114.8717 56.8284 29.0368 173.8786 99 I 4.3371 8.2712 119.0640 58.4686 38.8013 174.6967 100 P 4.6026 0.0000 0.0000 62.2178 32.2690 177.1888 101 I 3.5557 8.5873 121.2187 64.8182 36.8891 178.1333 102 K 3.5631 8.0050 119.5625 60.0459 31.7890 178.1312 103 Y 4.1500 7.9610 116.5827 60.7822 37.7807 178.1785 104 L 4.2334 8.0880 120.2446 57.5717 41.7007 179.2903 105 E 4.0459 7.9435 118.3583 59.3423 29.6081 179.0615 106 F 4.5146 7.9957 117.9328 60.8387 38.9500 177.6316 107 I 3.8687 8.1514 118.1073 63.8522 37.7541 178.1256 108 S 4.1872 8.0975 116.3801 61.5573 62.7069 176.1382 109 E 4.0191 8.4449 121.7569 59.3236 29.4076 178.7490 110 A 4.0465 7.9822 120.5474 55.0607 18.3902 179.7441 111 I 3.6873 8.0500 118.4273 64.7130 37.2829 178.7143 112 I 3.8466 7.9344 120.6302 64.6117 36.9531 178.0073 113 H 4.1319 8.4408 119.0972 59.3090 29.6519 177.5844 114 V 3.5600 7.9095 120.0295 65.9479 31.2774 178.0152 115 L 3.7600 7.8561 118.8331 57.7838 41.0383 178.9242 116 H 4.3144 7.7746 117.3216 59.3511 29.8861 177.3535 117 S 4.1509 7.6410 115.6531 61.7920 62.8626 176.6217 118 R 4.0260 7.8660 118.8580 57.7079 31.1355 176.4592 119 H 5.0268 8.2687 115.9464 53.6495 29.5775 172.8673 120 P 4.2885 0.0000 0.0000 65.9707 31.5420 179.3366 121 G 3.6395 8.1657 106.5325 47.5842 0.0000 173.6941 122 N 4.9861 8.1310 115.0975 52.8839 39.3065 175.0686 123 F 4.9525 7.9516 118.7779 56.3996 39.5751 174.3005 124 G 3.9148 7.6563 109.0942 43.9613 0.0000 171.8814 125 A 3.8775 8.4213 120.5968 55.2865 18.2922 179.6854 126 D 4.1702 7.9469 116.5027 57.5308 41.0438 178.7303 127 A 3.9392 7.7783 120.7140 55.1322 18.3152 179.3105 128 Q 3.1344 7.7888 118.3514 58.8192 29.0151 178.6108 129 G 3.4869 8.1304 106.7768 47.6278 0.0000 175.5755 130 A 3.8482 7.9083 123.1794 54.9783 18.3200 179.4100 131 M 3.9737 8.0773 116.7308 58.8288 32.3073 177.8606 132 N 4.2907 8.4247 117.5142 56.6562 39.1124 176.7040 133 K 3.8470 8.0665 120.7816 59.3614 32.2642 178.7215 134 A 3.8536 7.9411 121.1819 55.1099 18.2558 179.6673 135 L 4.1352 8.2598 117.7255 57.7943 41.5923 179.5670 136 E 3.9919 8.5401 119.0800 59.0833 29.3954 178.9655 137 L 3.9410 8.0418 120.4407 58.1029 42.1705 178.6633 138 F 4.1632 8.2972 120.4606 61.6414 39.3422 177.3242 139 R 3.5140 8.1810 117.5427 58.8040 29.8280 179.0462 140 K 3.8376 8.2229 119.6799 59.6520 32.2568 178.7138 141 D 4.3068 8.0405 119.1204 57.3055 40.6273 178.8265 142 I 3.4058 7.4639 120.1118 64.2573 37.0615 178.4288 143 A 3.6685 7.7508 121.2535 54.7671 18.1910 179.5756 144 A 3.9316 7.8539 119.4587 55.2813 18.4665 180.0525 145 K 4.0114 8.0917 117.0799 59.6146 32.0028 179.0815 146 Y 4.3690 8.3175 117.4995 61.1194 37.8396 178.7313 147 K 3.9366 8.0997 120.1979 59.7331 32.1241 178.6479 148 E 4.0186 7.9350 117.2206 59.1878 29.4682 178.5977 149 L 4.3564 7.8586 116.4971 55.0550 42.0073 177.7651 150 G 3.9023 8.1719 107.6367 45.4649 0.0000 173.0184 151 Y 4.4452 7.6375 118.1543 55.8950 40.6853 175.8610 152 Q 3.3832 7.8734 120.4584 56.7062 28.1597 174.2328 153 G 2.8193 5.7076 108.9719 45.0908 0.0000 174.2574 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 0 M 8.30 4.48 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.88 4.30 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 0.87 0.00 0.00 0.95 0.00 0.00 2 L 8.24 4.52 0.00 1.02 0.79 0.63 -0.40 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 3 S 8.66 4.57 0.00 4.05 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 4 E 8.80 4.31 0.00 2.20 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 2.43 2.52 0.00 5 G 8.11 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 7.90 3.94 0.00 1.86 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 2.21 2.25 0.00 7 W 8.10 4.32 0.00 3.60 3.20 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 8 Q 8.66 4.13 0.00 2.28 2.21 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 2.71 2.60 0.00 9 L 7.94 4.08 0.00 1.90 1.74 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 3.73 2.41 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 1.19 0.00 0.00 0.92 0.00 0.00 11 L 8.52 4.30 0.00 1.91 1.82 0.96 1.10 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 8.32 4.31 0.00 3.28 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 3.74 2.42 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 1.03 0.00 0.00 0.89 0.00 0.00 14 W 8.53 3.90 0.00 3.69 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 15 A 7.86 4.02 1.41 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 0.00 0.00 0.00 16 K 7.70 3.94 0.00 1.53 1.65 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.43 7.81 17 V 7.21 2.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.43 0.00 0.00 18 E 7.53 3.89 0.00 1.99 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 2.22 2.02 0.00 19 A 7.57 4.22 1.29 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 0.00 0.00 20 D 7.87 4.65 0.00 2.71 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 21 V 7.96 3.47 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 0.98 0.00 0.00 0.84 0.00 0.00 22 A 7.97 4.07 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 23 G 8.11 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.27 4.23 0.00 3.12 3.24 0.00 5.82 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 3.62 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 26 Q 8.05 3.92 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 27 D 7.82 4.32 0.00 2.88 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 28 I 7.74 3.66 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 1.51 0.70 0.88 0.00 0.00 29 L 7.73 3.44 0.00 1.49 1.11 0.85 0.58 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 30 I 7.88 3.74 1.91 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 1.45 0.71 0.91 0.00 0.00 31 R 7.94 3.78 0.00 1.95 2.10 0.00 3.03 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 32 L 7.85 3.87 0.00 1.62 1.33 1.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.04 4.56 0.00 3.05 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 34 K 8.19 4.07 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.70 7.81 35 S 8.09 4.29 0.00 3.71 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 8.34 4.75 0.00 2.98 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.86 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 4.52 0.00 2.16 2.13 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 38 E 8.30 4.10 0.00 2.30 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 0.00 2.35 2.57 0.00 39 T 8.12 3.74 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 0.81 0.00 0.00 40 L 8.03 3.73 0.00 1.50 1.75 -0.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.81 4.07 0.00 2.16 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 0.00 2.37 2.39 0.00 42 K 8.01 4.27 0.00 1.62 1.49 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.84 7.81 43 F 7.94 4.64 0.00 3.07 3.08 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 44 D 8.60 4.40 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.07 4.25 0.00 1.94 2.07 0.00 3.29 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 46 V 8.28 4.52 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 0.61 0.00 0.00 0.90 0.00 0.00 47 K 8.20 4.02 0.00 1.88 2.27 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.45 7.81 48 H 8.14 4.48 0.00 3.29 3.45 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 7.29 4.06 0.00 1.56 1.56 0.85 0.45 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 50 K 9.42 4.28 0.00 1.66 1.83 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.54 7.81 51 T 7.44 4.73 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 1.20 0.00 0.00 52 E 8.65 3.91 0.00 2.05 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 2.37 2.38 0.00 53 A 7.92 4.02 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 7.70 3.92 0.00 2.05 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 2.33 2.33 0.00 55 M 8.12 4.21 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 56 K 8.41 4.05 0.00 1.82 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.60 7.81 57 A 7.36 4.48 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 58 S 7.33 4.13 0.00 3.96 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 59 E 8.83 3.99 0.00 2.11 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 2.37 2.45 0.00 60 D 7.98 4.29 0.00 2.68 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 61 L 7.87 3.92 0.00 1.74 1.66 1.08 0.57 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 62 K 7.80 3.94 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 63 K 8.04 4.00 0.00 2.00 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.68 7.81 64 H 8.46 4.42 0.00 3.39 3.26 0.00 5.64 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 8.28 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 0.00 0.00 0.00 66 V 7.82 3.63 2.24 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 1.12 0.00 0.00 0.96 0.00 0.00 67 T 8.05 3.89 4.46 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 1.28 0.00 0.00 68 V 7.87 3.64 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 1.17 0.00 0.00 1.11 0.00 0.00 69 L 8.01 4.25 0.00 1.82 1.84 0.89 0.95 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 70 T 8.33 3.98 4.32 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 1.26 0.00 0.00 71 A 8.08 4.01 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 72 L 8.22 3.73 0.00 1.68 1.69 0.30 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.81 4.02 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 75 I 7.50 3.78 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.89 0.00 0.00 76 L 7.74 3.97 0.00 1.28 1.53 -0.06 0.99 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 7.74 3.99 0.00 1.65 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.50 7.81 78 K 7.80 3.96 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.74 7.81 79 K 8.28 2.00 0.00 1.25 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.41 0.71 7.81 80 G 8.01 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 0.00 0.00 0.00 81 H 7.27 4.58 0.00 3.17 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 7.60 5.40 0.00 3.29 3.45 0.00 5.67 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 83 E 8.60 3.99 0.00 2.20 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 0.00 2.39 2.37 0.00 84 A 7.92 4.02 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 85 E 8.16 4.11 0.00 2.26 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 2.40 2.47 0.00 86 L 8.12 4.12 0.00 2.06 1.72 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.82 3.95 0.00 1.81 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.65 7.81 88 P 0.00 4.33 0.00 2.30 2.34 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 89 L 7.51 4.01 0.00 2.08 1.95 1.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.47 4.24 1.50 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 0.00 0.00 91 Q 8.19 3.89 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.08 3.98 0.00 3.97 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 93 H 8.50 4.27 0.00 3.52 3.62 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 7.94 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.46 3.73 4.18 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 1.11 0.00 0.00 96 K 7.52 3.98 0.00 1.53 1.53 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.37 7.81 97 H 8.13 4.29 0.00 3.03 3.15 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 6.74 3.21 0.00 1.77 1.67 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 0.90 7.81 99 I 8.27 4.34 2.12 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 1.02 1.14 0.00 0.00 100 P 0.00 4.60 0.00 1.97 2.02 0.00 3.14 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.28 0.00 101 I 8.59 3.56 1.78 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.79 0.00 0.00 102 K 8.01 3.56 0.00 1.69 1.61 0.00 1.36 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.38 0.61 7.81 103 Y 7.96 4.15 0.00 3.18 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 8.09 4.23 0.00 1.84 1.80 0.72 0.93 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 0.00 105 E 7.94 4.05 0.00 2.12 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 2.41 2.36 0.00 106 F 8.00 4.51 0.00 3.19 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.15 3.87 1.99 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 1.57 1.59 1.08 0.00 0.00 108 S 8.10 4.19 0.00 4.26 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 0.00 109 E 8.44 4.02 0.00 2.17 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 0.00 2.37 2.40 0.00 110 A 7.98 4.05 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 0.00 111 I 8.05 3.69 2.12 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 1.61 0.79 1.04 0.00 0.00 112 I 7.93 3.85 2.00 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 1.69 1.19 1.15 0.00 0.00 113 H 8.44 4.13 0.00 3.39 3.50 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 0.00 114 V 7.91 3.56 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 0.99 0.00 0.00 1.01 0.00 0.00 115 L 7.86 3.76 0.00 0.46 0.61 0.81 0.70 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 0.00 116 H 7.77 4.31 0.00 3.48 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.64 4.15 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 7.87 4.03 0.00 1.47 1.61 0.00 3.11 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 119 H 8.27 5.03 0.00 3.17 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.75 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 4.29 0.00 2.20 2.27 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.17 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 0.00 122 N 8.13 4.99 0.00 2.81 2.91 0.00 0.00 6.69 7.44 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 0.00 123 F 7.95 4.95 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.66 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.42 3.88 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 0.00 126 D 7.95 4.17 0.00 2.65 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 0.00 127 A 7.78 3.94 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 0.00 128 Q 7.79 3.13 0.00 1.15 1.86 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 2.22 2.24 0.00 129 G 8.13 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 7.91 3.85 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 0.00 131 M 8.08 3.97 0.00 2.48 2.37 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.42 4.29 0.00 2.87 2.93 0.00 0.00 6.90 7.84 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 0.00 133 K 8.07 3.85 0.00 1.96 1.74 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 7.94 3.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.26 4.14 0.00 1.76 1.82 1.00 1.06 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 8.54 3.99 0.00 2.15 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 2.63 0.00 137 L 8.04 3.94 0.00 1.88 1.98 1.02 0.90 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 0.00 138 F 8.30 4.16 0.00 3.13 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 0.00 139 R 8.18 3.51 0.00 1.98 1.84 0.00 3.16 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 140 K 8.22 3.84 0.00 1.87 1.93 0.00 1.61 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 1.40 1.44 7.81 141 D 8.04 4.31 0.00 2.68 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 0.00 142 I 7.46 3.41 1.25 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.30 0.14 0.00 0.00 143 A 7.75 3.67 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.85 3.93 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 0.00 145 K 8.09 4.01 0.00 2.07 1.94 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.32 4.37 0.00 3.16 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 0.00 147 K 8.10 3.94 0.00 1.87 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 7.93 4.02 0.00 2.20 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 2.36 2.51 0.00 149 L 7.86 4.36 0.00 1.81 1.71 0.98 0.78 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 0.00 150 G 8.17 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 0.00 151 Y 7.64 4.45 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 3.38 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 153 G 5.71 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00