NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3101 8.3149 120.1377 56.1698 33.5281 175.2762 7 L 4.4409 8.2881 122.6951 52.6884 42.8336 174.3860 8 H 5.0726 9.2030 116.7852 53.8546 32.6598 172.5093 9 K 4.4989 8.6168 119.8240 56.0607 33.1594 176.0138 10 E 4.9693 9.0129 123.9657 53.5838 32.9114 173.9648 11 P 4.9343 0.0000 0.0000 63.2641 32.2753 175.0415 12 A 4.9627 8.5926 122.1076 51.2123 23.0664 175.3895 13 T 4.6191 8.6454 115.4508 61.2699 71.7826 173.8504 14 L 4.2362 8.6334 128.4098 55.9258 42.2172 175.8255 15 I 4.2889 8.6157 127.4692 62.5743 38.2890 176.0121 16 K 4.6079 7.5890 120.9959 55.1182 35.6021 174.1866 17 A 4.4853 8.6925 130.3362 52.1874 19.3668 176.8255 18 I 4.1932 8.4547 123.1960 62.7366 38.3556 175.0352 19 D 4.6987 6.9419 116.3398 53.2276 43.9306 175.3471 20 G 3.7890 8.7771 108.6404 47.8109 0.0000 173.9227 21 D 4.8939 8.0670 116.8938 53.1425 40.4132 175.3330 22 T 5.2353 7.7745 115.9822 62.4540 72.9258 173.3179 23 V 4.7757 8.8745 118.5523 59.4790 36.6180 174.1447 24 K 5.0914 9.3268 125.5480 55.0406 34.0573 175.1646 25 L 5.3479 9.3023 126.7095 53.1258 46.3931 175.3483 26 M 4.8906 9.1815 122.3784 54.9143 33.5296 174.2310 27 Y 4.9260 9.0911 128.6871 55.8948 41.7729 175.7225 28 K 3.7162 9.2382 127.0725 57.5520 29.6615 176.2428 29 G 3.8884 8.4005 103.4277 45.7418 0.0000 173.2855 30 Q 4.6986 7.8133 121.4174 53.3270 31.7302 172.8480 31 P 5.1542 0.0000 0.0000 62.7067 32.0876 175.4802 32 M 4.9194 9.4986 121.4473 54.1514 35.4313 173.8548 33 T 4.7945 8.4307 116.6554 63.0747 70.3846 173.6254 34 F 5.0126 9.4711 125.6118 55.6296 41.5553 174.4208 35 R 4.9971 8.8182 124.1592 54.4364 31.8647 175.2045 36 L 4.5810 8.7675 127.7882 54.4965 42.2921 177.4034 37 L 3.8554 8.5349 124.7946 56.0644 42.2246 178.0321 38 L 3.7241 8.7518 119.9525 55.2297 39.5407 174.0675 39 V 4.9702 7.3131 110.5341 59.5467 35.0094 174.8842 40 D 5.0049 9.3037 124.4461 52.9407 42.8759 175.6120 41 T 4.5211 8.3403 113.8437 59.0497 71.3285 173.0329 42 P 4.3044 0.0000 0.0000 62.9993 32.2777 175.5363 43 E 4.8549 9.0898 120.9971 54.9381 32.1051 176.8724 44 T 4.6801 8.3552 109.6677 61.7699 70.5834 175.1849 45 K 4.5611 7.6801 121.4822 55.7619 32.6947 175.7910 46 H 4.8128 8.0550 119.4627 53.4111 31.2632 172.1597 47 P 4.2770 0.0000 0.0000 64.3030 30.8610 174.0226 48 K 3.9854 8.1223 121.8756 57.1150 30.7771 176.9188 49 K 4.2026 7.3554 123.4951 54.1244 30.4482 176.4232 50 G 3.7420 7.4205 108.8743 46.6351 0.0000 169.9682 51 V 4.3802 7.5132 125.9814 60.6371 33.0583 175.4299 52 E 4.5183 9.1850 128.5344 54.5878 31.9326 175.7932 53 K 3.9927 8.3022 122.8047 58.1189 32.5135 176.5499 54 Y 4.2033 8.0846 123.2086 59.3848 35.8107 171.2545 55 G 3.5913 8.3162 108.1438 47.2824 0.0000 174.0115 56 P 4.2730 0.0000 0.0000 65.4434 31.3155 178.5522 57 E 4.0269 8.1853 116.3042 59.4125 29.5108 179.1507 58 A 4.0920 8.5121 121.2901 55.0823 18.2378 179.8365 59 S 4.1486 8.4917 113.8901 61.8054 62.8582 176.8183 60 A 4.1113 8.4417 123.8159 54.9389 18.0622 179.4645 61 F 3.9198 8.4422 119.1343 61.8019 39.5426 177.4307 62 T 3.8845 8.0750 115.3629 66.4798 68.1713 176.3986 63 K 3.8690 8.1445 121.4155 59.5407 32.3664 178.7498 64 K 3.8592 8.2864 120.1884 59.5544 31.8312 178.4958 65 M 3.8502 7.7213 117.7851 58.6125 32.3428 178.2491 66 V 3.8432 7.8825 112.2466 63.7291 31.6320 178.4809 67 E 3.9431 8.2890 118.2455 59.2219 29.3798 177.5214 68 N 4.5910 7.8713 112.8399 53.2296 38.9490 175.1953 69 A 4.3762 7.3729 122.6747 51.7172 19.1199 178.0403 70 K 4.1419 8.9973 123.5052 58.4989 32.7575 177.6264 71 K 4.6500 8.7245 118.1686 54.6639 36.2356 175.5782 72 I 4.9210 8.4226 125.2737 59.7622 39.7675 174.4915 73 E 5.1874 9.0554 124.5468 54.6632 33.8758 174.9892 74 V 4.6388 8.7805 115.8977 59.4348 35.0280 174.5497 75 E 4.9105 8.9710 125.4474 54.2592 31.7767 175.2562 76 F 4.6274 8.6045 125.6982 57.7203 40.0467 175.7774 77 D 4.9320 8.5076 120.7371 53.6318 43.1629 176.0308 78 K 4.4918 8.7628 118.3704 57.0885 33.9240 177.5539 79 G 4.1506 7.8445 110.4494 45.0743 0.0000 173.9963 80 Q 4.0826 8.5680 122.3473 56.4721 29.2616 176.7781 81 R 4.4618 8.3999 118.0776 56.5568 31.2127 176.1300 82 T 5.0058 7.4169 107.1447 59.5748 71.9409 173.5889 83 D 4.7787 8.6639 123.8834 51.9678 41.4912 176.9464 84 K 3.9693 8.4580 117.0733 59.5001 32.5926 176.9712 85 Y 4.3039 8.1303 116.3202 57.6830 37.8167 176.2008 86 G 3.9250 8.2370 107.6944 45.6344 0.0000 174.2092 87 R 4.2715 8.3409 119.8533 55.2645 31.4904 176.4618 88 G 3.3563 8.4279 111.4155 46.2333 0.0000 172.3850 89 L 5.2526 8.7273 124.6354 53.2126 42.9892 175.6620 90 A 4.5410 8.3322 124.0146 50.7541 23.5126 174.0794 91 Y 4.7889 8.6739 117.5589 57.2860 39.6988 174.9636 92 I 4.7522 8.5825 124.8414 59.7100 40.0887 174.0546 93 Y 5.0612 9.1555 124.5606 56.0939 40.8078 174.4968 94 A 4.8998 8.9780 126.3054 50.1927 21.1319 176.4913 95 D 4.4537 9.7769 125.1339 55.9323 39.0570 175.5352 96 G 4.0006 8.4187 105.4416 45.3003 0.0000 173.5828 97 K 4.5344 7.9630 120.1927 54.7809 33.8298 175.4117 98 M 3.8644 8.4613 123.2828 54.9840 33.1842 177.0765 99 V 3.6330 8.5651 127.2487 66.1099 31.6291 177.6666 100 N 4.3283 8.0327 115.7686 56.4135 38.4623 176.8409 101 E 3.8971 8.0679 119.8341 59.1470 29.7268 178.2829 102 A 4.1123 8.0803 120.8626 55.2881 18.4128 179.6725 103 L 3.5368 8.1083 117.3081 57.7794 41.7391 179.8907 104 V 3.8308 7.4020 119.5647 65.5706 31.2852 178.0777 105 R 3.9377 8.2648 117.4885 58.9866 29.9513 177.4841 106 Q 4.2967 7.5339 115.4709 54.9536 29.1184 175.9216 107 G 3.8479 8.0403 108.7265 46.7697 0.0000 174.7190 108 L 4.5087 7.6389 116.5070 53.8359 42.4849 176.2573 109 A 4.7895 7.4678 119.9426 50.6460 22.6978 175.6952 110 K 4.8236 8.6050 119.4370 54.7388 35.9165 175.7380 111 V 4.2836 8.8093 122.3982 62.8702 31.8352 175.9431 112 A 4.6754 8.7855 130.1794 51.0724 19.4889 176.4850 113 Y 4.0910 8.6718 120.5644 57.8251 38.9987 175.3648 114 V 4.2837 7.8591 127.3858 61.1762 33.2613 173.9714 115 Y 4.5478 7.8032 123.4087 55.9369 41.1235 175.0791 116 G 3.4828 8.3831 110.0651 43.6799 0.0000 171.7863 117 P 4.3216 0.0000 0.0000 64.8292 31.8516 177.1148 118 N 4.8194 7.6187 118.4395 52.0696 37.0232 174.1918 119 N 5.0870 7.7715 112.6728 52.5931 39.4473 177.2990 120 T 3.8155 8.5515 117.6817 67.3033 68.7348 174.8461 121 H 4.8669 8.0173 116.3087 55.7978 29.1353 176.8118 122 E 3.9910 8.3070 123.2925 59.6705 29.3871 178.8743 123 Q 3.9769 8.0290 117.6301 58.9686 28.9216 177.7849 124 H 4.1153 8.2528 118.8387 59.5236 29.8382 177.1370 125 L 3.9689 8.0296 120.5321 57.8471 41.4125 179.7425 126 R 3.9532 8.3385 118.3125 59.1122 30.0199 179.3022 127 K 3.9636 8.0960 118.3934 59.5479 32.0668 179.6014 128 S 4.0908 7.9299 115.2877 61.4720 62.6216 176.3324 129 E 3.9717 8.5971 122.2424 59.2634 29.3797 178.7551 130 A 3.7491 8.0825 120.8527 54.9495 18.2932 179.4816 131 Q 3.7915 7.9918 117.7807 59.2739 29.1776 178.1746 132 A 3.9734 8.0185 121.8390 54.9880 18.3271 179.5896 133 K 3.1621 7.8786 118.3962 59.2270 31.9287 178.9634 134 K 3.8058 7.7086 118.7496 59.2436 32.1714 177.6970 135 E 4.2231 8.2175 116.0349 55.3332 30.3164 176.1400 136 K 4.1341 7.9761 117.9514 56.1569 30.4613 175.0299 137 L 4.4223 8.0345 118.1394 55.3277 44.5922 178.2122 138 N 3.6356 9.4657 119.1247 54.1095 38.0971 176.2192 139 I 3.0297 5.4200 125.8326 64.5294 37.9574 176.7138 140 W 4.8832 7.9953 118.3187 56.4285 29.2458 176.6070 141 S 4.7478 7.9821 119.0825 57.9316 62.6320 173.9544 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 6 K 8.31 4.31 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 7 L 8.29 4.44 0.00 1.78 1.70 1.04 0.88 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 8 H 9.20 5.07 0.00 3.11 3.21 0.00 5.54 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 9 K 8.62 4.50 0.00 1.54 1.63 0.00 1.32 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.10 1.24 7.81 10 E 9.01 4.97 0.00 2.01 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 2.31 2.20 0.00 11 P 0.00 4.93 0.00 2.09 2.06 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 12 A 8.59 4.96 1.18 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 0.00 0.00 13 T 8.65 4.62 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 1.22 0.00 0.00 14 L 8.63 4.24 0.00 1.63 1.58 0.92 1.03 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 15 I 8.62 4.29 2.06 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 1.15 0.76 0.94 0.00 0.00 16 K 7.59 4.61 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 A 8.69 4.49 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 18 I 8.45 4.19 2.01 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 1.21 0.95 0.91 0.00 0.00 19 D 6.94 4.70 0.00 2.70 2.64 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 20 G 8.78 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 0.00 0.00 0.00 21 D 8.07 4.89 0.00 2.81 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 22 T 7.77 5.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 V 8.87 4.78 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 0.70 0.00 0.00 0.95 0.00 0.00 24 K 9.33 5.09 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 25 L 9.30 5.35 0.00 1.71 1.61 0.36 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.18 4.89 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.09 4.93 0.00 3.29 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 28 K 9.24 3.72 0.00 1.47 1.65 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.51 1.03 7.81 29 G 8.40 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 30 Q 7.81 4.70 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 31 P 0.00 5.15 0.00 2.02 2.03 0.00 3.76 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 2.06 2.12 0.00 32 M 9.50 4.92 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.79 0.00 33 T 8.43 4.79 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 F 9.47 5.01 0.00 3.06 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 35 R 8.82 5.00 0.00 1.92 1.94 0.00 3.15 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 36 L 8.77 4.58 0.00 1.55 1.61 0.98 0.91 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 37 L 8.53 3.86 0.00 0.97 1.28 0.24 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.75 3.72 0.00 1.99 1.87 1.13 0.98 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 39 V 7.31 4.97 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 0.81 0.00 0.00 0.94 0.00 0.00 40 D 9.30 5.00 0.00 2.52 2.55 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 41 T 8.34 4.52 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 P 0.00 4.30 0.00 2.19 2.15 0.00 3.54 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 2.11 2.05 0.00 43 E 9.09 4.85 0.00 2.11 1.81 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 2.19 2.33 0.00 44 T 8.36 4.68 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 45 K 7.68 4.56 0.00 1.73 1.79 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.32 7.81 46 H 8.05 4.81 0.00 3.14 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.28 0.00 2.15 2.01 0.00 3.93 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 48 K 8.12 3.99 0.00 1.86 1.88 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.37 7.81 49 K 7.36 4.20 0.00 1.70 1.75 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 50 G 7.42 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 51 V 7.51 4.38 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 0.82 0.00 0.00 0.98 0.00 0.00 52 E 9.18 4.52 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 53 K 8.30 3.99 0.00 1.70 1.71 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.10 1.29 7.81 54 Y 8.08 4.20 0.00 3.23 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 55 G 8.32 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 56 P 0.00 4.27 0.00 2.15 2.13 0.00 3.57 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 2.09 2.19 0.00 57 E 8.19 4.03 0.00 2.37 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 0.00 2.54 2.51 0.00 58 A 8.51 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.49 4.15 0.00 4.01 3.95 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 60 A 8.44 4.11 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 61 F 8.44 3.92 0.00 3.21 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 62 T 8.07 3.88 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 1.23 0.00 0.00 63 K 8.14 3.87 0.00 1.92 1.98 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 64 K 8.29 3.86 0.00 1.74 1.91 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.28 1.49 7.81 65 M 7.72 3.85 0.00 1.98 1.71 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 66 V 7.88 3.84 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 0.72 0.00 0.00 1.01 0.00 0.00 67 E 8.29 3.94 0.00 2.04 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 2.33 2.34 0.00 68 N 7.87 4.59 0.00 2.82 2.81 0.00 0.00 7.02 6.83 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 69 A 7.37 4.38 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 70 K 9.00 4.14 0.00 1.74 2.19 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 71 K 8.72 4.65 0.00 1.68 1.63 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.42 4.92 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.84 0.00 0.00 73 E 9.06 5.19 0.00 1.89 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 2.19 2.24 0.00 74 V 8.78 4.64 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 -0.05 0.00 0.00 0.52 0.00 0.00 75 E 8.97 4.91 0.00 2.16 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 2.44 2.35 0.00 76 F 8.60 4.63 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.51 4.93 0.00 2.67 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 78 K 8.76 4.49 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.52 7.81 79 G 7.84 4.15 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 0.00 0.00 0.00 80 Q 8.57 4.08 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 81 R 8.40 4.46 0.00 1.58 1.29 0.00 2.68 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 82 T 7.42 5.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 83 D 8.66 4.78 0.00 2.99 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 84 K 8.46 3.97 0.00 1.64 1.86 0.00 1.38 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.22 0.58 7.81 85 Y 8.13 4.30 0.00 3.15 3.03 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 0.00 0.00 0.00 86 G 8.24 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 0.00 0.00 0.00 87 R 8.34 4.27 0.00 2.13 1.81 0.00 3.13 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 88 G 8.43 3.36 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 0.00 89 L 8.73 5.25 0.00 1.57 1.61 0.93 1.03 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 90 A 8.33 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.67 4.79 0.00 3.02 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 92 I 8.58 4.75 1.77 0.00 0.00 0.47 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 0.93 0.80 0.00 0.00 93 Y 9.16 5.06 0.00 2.88 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 94 A 8.98 4.90 1.20 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 0.00 0.00 95 D 9.78 4.45 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.42 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 0.00 0.00 0.00 97 K 7.96 4.53 0.00 1.86 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 98 M 8.46 3.86 0.00 1.90 1.62 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.33 0.00 99 V 8.57 3.63 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 1.02 0.00 0.00 0.93 0.00 0.00 100 N 8.03 4.33 0.00 2.90 2.92 0.00 0.00 6.77 7.66 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 0.00 101 E 8.07 3.90 0.00 1.96 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 2.26 2.22 0.00 102 A 8.08 4.11 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.11 3.54 0.00 1.85 1.64 1.01 0.60 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 0.00 104 V 7.40 3.83 2.20 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 1.24 0.00 0.00 0.98 0.00 0.00 105 R 8.26 3.94 0.00 2.01 2.06 0.00 3.33 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 Q 7.53 4.30 0.00 1.52 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.28 1.76 0.00 107 G 8.04 3.85 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 0.00 0.00 0.00 108 L 7.64 4.51 0.00 1.32 1.52 0.54 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.47 4.79 1.15 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 0.00 0.00 110 K 8.61 4.82 0.00 1.92 2.22 0.00 1.27 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 1.30 7.81 111 V 8.81 4.28 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 0.83 0.00 0.00 0.98 0.00 0.00 112 A 8.79 4.68 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 0.00 113 Y 8.67 4.09 0.00 2.94 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 0.00 114 V 7.86 4.28 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 0.85 0.00 0.00 0.99 0.00 0.00 115 Y 7.80 4.55 0.00 3.05 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 0.00 116 G 8.38 3.48 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 0.00 117 P 0.00 4.32 0.00 2.15 2.14 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 118 N 7.62 4.82 0.00 2.63 2.76 0.00 0.00 6.68 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.77 5.09 0.00 2.86 2.88 0.00 0.00 6.11 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 0.00 120 T 8.55 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 121 H 8.02 4.87 0.00 2.88 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.31 3.99 0.00 2.19 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 2.33 2.38 0.00 123 Q 8.03 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 H 8.25 4.12 0.00 3.21 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.03 3.97 0.00 1.92 1.73 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.34 3.95 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 127 K 8.10 3.96 0.00 1.95 1.83 0.00 1.68 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 1.44 1.62 7.81 128 S 7.93 4.09 0.00 3.97 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 0.00 129 E 8.60 3.97 0.00 2.14 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 0.00 2.26 2.64 0.00 130 A 8.08 3.75 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 0.00 131 Q 7.99 3.79 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 132 A 8.02 3.97 1.56 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 0.00 133 K 7.88 3.16 0.00 0.79 1.42 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.96 0.66 7.81 134 K 7.71 3.81 0.00 1.83 1.94 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.22 4.22 0.00 1.96 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 2.30 2.47 0.00 136 K 7.98 4.13 0.00 1.98 1.90 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.35 7.81 137 L 8.03 4.42 0.00 1.79 1.68 0.93 0.80 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 0.00 138 N 9.47 3.64 0.00 2.63 1.63 0.00 0.00 7.12 7.32 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 0.00 139 I 5.42 3.03 1.28 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 0.92 -0.13 -0.62 0.00 0.00 140 W 8.00 4.88 0.00 3.39 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 0.00 141 S 7.98 4.75 0.00 4.03 4.04 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