NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9790 8.3549 109.7401 45.4430 0.0000 172.8509 2 L 4.1408 8.2667 119.4953 51.9079 42.6778 175.8407 3 S 4.4368 10.2231 119.6094 58.2178 65.9928 174.9850 4 D 4.6716 8.8062 122.1817 57.6264 40.5122 179.4252 5 G 3.6632 8.0668 105.8458 47.5304 0.0000 175.6141 6 E 3.9115 8.1130 120.7854 59.1765 29.4919 179.5202 7 W 4.4336 8.2480 118.9095 59.8352 28.9780 178.5590 8 Q 4.1567 8.3823 118.1861 59.2459 28.2302 178.9992 9 Q 4.1336 8.1131 118.5904 58.5825 28.7417 178.7800 10 V 3.7489 7.9065 119.4444 66.2696 31.6962 178.2400 11 L 4.2275 8.6248 119.1377 57.5652 41.1896 178.9742 12 N 4.3627 8.5223 117.2144 56.7966 39.1288 177.0798 13 V 3.8255 7.9108 119.8056 64.1950 31.6939 178.0926 14 W 4.0316 8.5866 129.3276 59.7345 30.0968 177.9959 15 G 3.7368 8.1371 106.2478 47.9698 0.0000 175.7221 16 K 3.8144 7.3336 119.8056 58.8373 32.2462 179.3290 17 V 2.7827 6.9825 117.9358 65.7750 31.1500 177.8553 18 E 3.8903 7.5553 116.1474 58.6706 29.3188 178.7439 19 A 4.2110 7.3277 119.6401 53.7656 19.9558 177.7020 20 D 4.6670 7.6812 116.0983 52.3994 43.1772 175.2770 21 I 3.6316 7.8450 123.3969 63.3818 38.4298 176.5933 22 A 4.3056 7.4174 122.6586 54.7045 18.3314 179.7241 23 G 3.4590 8.0168 104.1718 48.0826 0.0000 175.6201 24 H 4.0793 8.1773 118.6410 58.5628 28.7891 177.9467 25 G 3.6658 8.4516 107.8375 47.9700 0.0000 175.4093 26 Q 3.8867 8.2302 122.1569 58.9562 29.1267 178.1658 27 E 3.9128 8.0977 119.6715 59.1681 29.3490 179.5230 28 V 3.5219 8.0213 118.6829 66.0073 31.6438 178.1490 29 L 3.4042 7.7489 118.6396 57.5410 41.2946 179.5742 30 I 3.6465 7.5770 119.7271 64.2384 36.9720 178.3790 31 R 3.7680 7.8857 119.4785 59.2206 29.8192 178.1303 32 L 3.8961 7.8248 120.1231 58.4572 41.9610 179.1070 33 F 4.5439 8.1239 118.1895 60.6860 38.5511 177.8187 34 T 4.0942 8.1026 109.1616 64.5768 68.9034 176.9677 35 G 3.6395 8.0895 107.8623 46.4522 0.0000 173.7347 36 H 4.7720 8.2498 117.7609 52.3256 29.8795 172.1037 37 P 4.7401 0.0000 0.0000 64.3028 31.4167 177.6116 38 E 4.1240 8.2624 116.7459 59.4640 29.3253 179.0632 39 T 3.7246 8.0619 110.7525 64.3765 68.7445 176.2339 40 L 3.8458 7.9738 123.2585 57.7358 41.7978 178.5177 41 E 4.1003 7.8782 118.0442 59.0002 29.4393 178.7048 42 K 4.4235 7.9851 116.6476 56.7524 32.9410 177.0897 43 F 4.5297 8.0919 119.2989 55.0057 39.1286 175.3721 44 D 4.4011 8.7041 125.8481 57.1899 40.6911 178.7605 45 K 4.2964 7.6773 113.9783 57.4346 33.4077 176.8769 46 F 5.0447 7.9168 118.1588 57.8472 40.9034 177.1747 47 K 4.1813 8.1183 118.2602 58.5023 32.5258 177.4241 48 H 4.3670 8.0462 114.6856 57.3208 29.0366 175.3091 49 L 4.1834 7.7995 121.6253 54.7892 41.2025 176.7206 50 K 4.3358 9.1368 124.4046 57.1860 33.2606 177.2874 51 T 4.7371 7.3173 107.9212 58.6766 73.2840 174.1696 52 E 3.8553 8.6775 121.4599 59.4337 29.4046 178.6156 53 A 3.9700 7.9520 119.0153 55.4313 18.5557 179.0285 54 E 4.0437 8.0695 116.8610 59.7149 29.6575 179.4299 55 M 3.9829 8.3160 119.0828 58.4785 31.8386 178.9699 56 K 3.9214 8.3627 117.3058 59.0583 32.3053 178.3943 57 A 4.4049 7.3495 118.3383 51.4812 19.1147 177.0094 58 S 4.2923 7.3611 113.8508 57.4232 63.0381 174.4837 59 E 3.9932 8.8406 128.7034 59.1483 29.5129 177.8988 60 D 4.5179 8.2339 118.6518 57.5467 40.8689 178.6498 61 L 3.1367 7.5478 120.3578 57.6877 42.1401 178.8173 62 K 3.8801 7.6785 119.7323 59.3381 32.0836 178.8353 63 K 3.9823 8.3392 118.9759 59.8853 31.9651 178.8087 64 H 4.4396 8.7151 118.6606 59.2019 29.8417 177.3284 65 G 3.6749 8.5494 108.0365 48.2131 0.0000 175.7652 66 T 3.8926 7.8819 117.6514 66.3104 68.4780 176.7206 67 V 3.6141 7.7468 120.2098 66.1266 31.4789 178.2931 68 V 3.5761 7.9559 117.7596 66.2391 31.4170 178.1264 69 L 4.2819 8.1213 118.5864 57.7650 41.3998 179.7070 70 T 3.9497 8.4655 116.2622 66.6199 68.5604 176.4492 71 A 3.9979 7.9941 122.6485 55.0395 18.3840 179.4140 72 L 3.6281 8.1391 118.9776 58.0202 42.1015 179.1101 73 G 3.5310 8.4320 106.1736 47.9646 0.0000 175.6834 74 G 3.6187 7.8017 106.9232 47.3557 0.0000 175.6346 75 I 3.8082 7.4043 121.6609 64.2189 37.2039 178.4100 76 L 3.9372 7.8589 120.1716 57.8609 41.1545 179.8898 77 K 3.9069 7.7673 117.2346 58.9660 32.3709 179.0243 78 K 3.7679 7.7349 117.6442 56.2790 32.7522 176.5541 79 K 2.0000 8.0960 118.4918 56.3181 29.5970 175.6238 80 G 3.9853 7.7727 105.0801 45.3881 0.0000 172.4770 81 H 4.8516 7.1176 113.8299 54.3953 27.9653 173.3731 82 H 5.0869 7.3148 112.9844 55.1702 29.7815 176.4684 83 E 3.9071 8.5122 122.2465 60.2280 28.9702 178.9227 84 A 4.0434 7.9342 118.6371 55.0169 18.6853 178.8596 85 E 4.1132 8.1043 115.6824 59.1567 29.9431 178.8388 86 L 4.0162 8.2540 121.5972 57.4838 42.1236 178.2845 87 K 3.8320 8.1910 120.0852 59.4451 32.0791 176.9078 88 P 4.3263 0.0000 0.0000 65.4221 31.2493 178.1860 89 L 3.9746 7.9596 119.7250 58.1204 42.3284 178.3231 90 A 4.1299 8.2189 120.9548 55.2850 18.1662 179.1939 91 Q 3.9537 8.2989 118.1075 59.6253 29.2115 178.9934 92 S 4.1066 8.1508 115.1125 61.6256 63.0496 175.6586 93 H 4.3699 8.7530 118.6128 57.3006 28.3864 176.7696 94 A 3.3836 7.7230 121.3275 52.6000 19.3320 178.0110 95 T 4.1118 7.1306 105.6638 63.3023 70.3215 176.0076 96 K 3.8952 7.5956 121.4534 58.4730 32.4949 177.0898 97 H 4.5040 7.6599 113.1305 54.8967 30.0673 174.9817 98 K 2.6140 7.2904 116.0023 56.7572 28.5230 172.8209 99 I 4.3032 8.1772 118.7391 58.6946 38.0341 174.5831 100 P 4.5399 0.0000 0.0000 62.3484 32.0829 177.5715 101 I 3.6696 8.4419 123.1906 64.8304 37.0007 178.5969 102 K 3.6898 7.9160 119.5635 59.7182 31.9365 178.2871 103 Y 4.1516 7.9167 117.0147 60.9793 37.7351 178.3185 104 L 4.2109 7.9371 119.5781 57.5519 41.7321 179.0297 105 E 3.9693 8.1507 119.4923 59.2755 29.5851 178.7506 106 F 4.4970 7.9982 117.8676 60.9016 38.9368 177.5916 107 I 3.8217 8.2136 118.1421 63.8904 37.7638 177.9138 108 S 4.2235 8.4297 116.3685 61.9381 62.6745 176.4552 109 D 4.4539 8.4089 121.0466 57.4173 40.5925 178.7289 110 A 4.0295 8.3163 121.2861 55.2032 18.2526 179.8478 111 I 3.7036 8.0857 118.3759 64.6631 37.2739 178.7272 112 I 3.7901 7.9871 120.6920 64.5051 36.8292 177.9598 113 H 4.1150 8.6412 119.4139 59.3784 29.6941 177.4077 114 V 3.5443 7.8975 119.9407 66.1388 31.3276 178.0056 115 L 3.7611 8.0785 118.9429 57.7929 41.0395 178.9910 116 H 4.4373 8.0485 117.6581 59.0320 29.8818 177.0622 117 S 4.1288 8.0937 114.5558 61.3302 62.3912 175.8233 118 K 4.1045 7.9691 119.4609 57.6687 33.2452 176.8140 119 H 5.0633 8.0521 115.8941 54.0552 29.7185 173.1781 120 P 4.3620 0.0000 0.0000 65.7212 31.7597 179.2756 121 G 3.6292 8.1448 106.9744 47.8691 0.0000 173.6752 122 D 4.8344 7.9953 117.5437 54.1160 41.5940 176.9085 123 F 4.9609 7.9084 120.7035 56.1223 39.9347 174.0445 124 G 3.9268 7.5860 109.7873 43.9133 0.0000 171.0570 125 A 3.8639 8.4930 120.9134 55.5884 18.2908 179.6610 126 D 4.2196 8.0165 116.1355 57.5468 40.8688 179.0180 127 A 3.8995 7.7138 120.5907 55.0327 18.4531 179.1503 128 Q 3.0565 7.8830 118.6031 58.9103 28.9626 178.9817 129 G 3.4547 7.9286 106.3896 47.6999 0.0000 175.4095 130 A 3.8367 8.1524 124.0720 55.1113 18.3554 179.4698 131 M 4.0507 8.3470 116.8336 58.8283 32.2496 178.3482 132 T 3.9042 8.0612 116.0724 66.8900 68.7442 176.5178 133 K 4.0026 8.1249 119.8207 59.4215 32.0801 179.3287 134 A 3.8115 7.7853 120.9933 55.1522 18.2715 179.7064 135 L 4.1754 8.1602 117.4225 57.6097 41.6426 179.4653 136 E 3.9819 8.4733 119.0723 59.3613 29.3426 179.1261 137 L 3.9976 8.1054 120.3904 57.8441 42.0584 178.6483 138 F 4.1821 8.2489 120.5280 61.5582 39.2783 177.3690 139 R 3.3945 8.1582 117.6060 58.9878 29.8370 178.5286 140 N 4.1741 8.3829 117.1888 56.9429 39.0070 176.6989 141 D 4.3545 8.2525 120.2561 57.0205 40.8879 178.7276 142 I 3.3149 7.5684 120.4768 64.1621 37.0052 178.2094 143 A 3.7031 7.8330 121.3861 55.0138 17.6801 179.4518 144 A 3.9374 7.8047 119.1936 55.3129 18.3455 180.1121 145 K 4.0114 7.9833 116.8194 59.7176 32.1091 178.8984 146 Y 4.5008 8.4184 117.5817 61.3343 37.9426 178.9485 147 K 3.9338 8.2122 120.0890 59.7553 32.1361 178.7309 148 E 4.0457 7.6665 116.2875 59.2733 29.4933 178.7352 149 L 4.3217 8.0497 116.8219 55.0481 41.7923 177.6735 150 G 3.8552 7.8585 106.8409 45.8428 0.0000 172.8154 151 F 4.7966 8.3127 121.4764 55.8715 40.9304 174.7092 152 Q 3.9472 8.0945 129.3288 57.5134 29.3173 175.2167 153 G 3.5244 7.0962 113.1599 45.4428 0.0000 171.9696 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 G 8.35 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.27 4.14 0.00 0.79 0.81 0.50 -0.85 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 3 S 10.22 4.44 0.00 4.02 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 D 8.81 4.67 0.00 2.77 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 5 G 8.07 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 8.11 3.91 0.00 2.08 1.72 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 2.21 2.27 0.00 7 W 8.25 4.43 0.00 3.34 3.11 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 8 Q 8.38 4.16 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 9 Q 8.11 4.13 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 10 V 7.91 3.75 2.51 0.00 0.00 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 0.94 0.00 0.00 11 L 8.62 4.23 0.00 1.87 1.79 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.52 4.36 0.00 2.80 2.93 0.00 0.00 7.26 7.27 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 13 V 7.91 3.83 2.48 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 1.12 0.00 0.00 0.85 0.00 0.00 14 W 8.59 4.03 0.00 3.69 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 15 G 8.14 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 16 K 7.33 3.81 0.00 1.37 1.30 0.00 1.93 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.42 7.81 17 V 6.98 2.78 0.70 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 0.06 0.00 0.00 0.03 0.00 0.00 18 E 7.56 3.89 0.00 1.91 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 2.21 2.44 0.00 19 A 7.33 4.21 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 7.68 4.67 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.84 3.63 1.79 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 1.56 0.87 0.89 0.00 0.00 22 A 7.42 4.31 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 8.02 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 0.00 0.00 0.00 0.00 24 H 8.18 4.08 0.00 3.35 3.20 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 8.45 3.67 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 0.00 0.00 0.00 26 Q 8.23 3.89 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 E 8.10 3.91 0.00 2.14 1.90 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 2.25 2.34 0.00 28 V 8.02 3.52 2.16 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 1.08 0.00 0.00 0.92 0.00 0.00 29 L 7.75 3.40 0.00 1.70 1.26 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.58 3.65 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.87 0.00 0.00 31 R 7.89 3.77 0.00 1.93 2.08 0.00 3.02 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 32 L 7.82 3.90 0.00 1.72 1.36 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.12 4.54 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.10 4.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 35 G 8.09 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 36 H 8.25 4.77 0.00 3.06 2.84 0.00 5.63 0.00 0.00 0.00 0.00 6.88 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 4.74 0.00 2.16 2.11 0.00 3.85 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 2.10 1.98 0.00 38 E 8.26 4.12 0.00 2.31 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 2.34 2.58 0.00 39 T 8.06 3.72 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 0.83 0.00 0.00 40 L 7.97 3.85 0.00 1.59 1.78 -0.39 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.10 0.00 2.20 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 2.41 2.57 0.00 42 K 7.99 4.42 0.00 1.75 1.63 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.74 1.98 7.81 43 F 8.09 4.53 0.00 3.12 2.62 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 44 D 8.70 4.40 0.00 2.56 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.68 4.30 0.00 1.84 1.83 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.78 0.89 7.81 46 F 7.92 5.04 0.00 2.82 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 47 K 8.12 4.18 0.00 1.86 2.26 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 48 H 8.05 4.37 0.00 3.30 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 7.80 4.18 0.00 1.53 1.57 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.14 4.34 0.00 1.71 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.62 7.81 51 T 7.32 4.74 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 8.68 3.86 0.00 2.03 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 2.36 0.00 53 A 7.95 3.97 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 54 E 8.07 4.04 0.00 2.18 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 2.32 2.34 0.00 55 M 8.32 3.98 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 56 K 8.36 3.92 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 57 A 7.35 4.40 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 58 S 7.36 4.29 0.00 3.84 3.78 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 59 E 8.84 3.99 0.00 2.13 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 2.47 0.00 60 D 8.23 4.52 0.00 3.03 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 61 L 7.55 3.14 0.00 0.90 1.50 0.69 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.68 3.88 0.00 1.77 1.90 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.58 7.81 63 K 8.34 3.98 0.00 2.13 1.94 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.57 7.81 64 H 8.72 4.44 0.00 3.67 3.76 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 65 G 8.55 3.67 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 0.00 0.00 0.00 66 T 7.88 3.89 4.44 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 1.23 0.00 0.00 67 V 7.75 3.61 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 1.07 0.00 0.00 1.08 0.00 0.00 68 V 7.96 3.58 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 1.06 0.00 0.00 0.96 0.00 0.00 69 L 8.12 4.28 0.00 1.86 1.84 0.85 0.76 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 8.47 3.95 4.44 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 1.26 0.00 0.00 71 A 7.99 4.00 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 72 L 8.14 3.63 0.00 1.66 1.75 0.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.43 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.80 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 75 I 7.40 3.81 1.80 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 1.50 1.16 0.85 0.00 0.00 76 L 7.86 3.94 0.00 1.18 1.49 -0.22 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.77 3.91 0.00 1.66 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.47 7.81 78 K 7.73 3.77 0.00 1.81 1.63 0.00 1.75 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.76 7.81 79 K 8.10 2.00 0.00 1.09 0.74 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.58 0.99 7.81 80 G 7.77 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 7.12 4.85 0.00 3.18 3.23 0.00 5.72 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 7.31 5.09 0.00 3.27 3.55 0.00 5.68 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.51 3.91 0.00 2.12 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 2.50 0.00 84 A 7.93 4.04 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 85 E 8.10 4.11 0.00 2.17 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 0.00 2.58 2.27 0.00 86 L 8.25 4.02 0.00 1.92 1.84 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.19 3.83 0.00 2.09 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 88 P 0.00 4.33 0.00 2.35 2.33 0.00 3.90 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 2.11 2.05 0.00 89 L 7.96 3.97 0.00 1.82 1.94 1.08 0.98 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 90 A 8.22 4.13 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 91 Q 8.30 3.95 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 92 S 8.15 4.11 0.00 4.09 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 93 H 8.75 4.37 0.00 3.62 3.66 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 7.72 3.38 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 95 T 7.13 4.11 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 1.16 0.00 0.00 96 K 7.60 3.90 0.00 1.54 1.56 0.00 1.64 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 1.16 1.31 7.81 97 H 7.66 4.50 0.00 3.01 3.11 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 7.29 2.61 0.00 1.61 1.29 0.00 1.30 0.00 0.00 0.75 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.98 1.14 7.81 99 I 8.18 4.30 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 1.19 0.00 0.00 100 P 0.00 4.54 0.00 1.73 1.73 0.00 2.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.79 0.00 101 I 8.44 3.67 1.81 0.00 0.00 0.51 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 0.82 0.00 0.00 102 K 7.92 3.69 0.00 1.71 1.63 0.00 1.37 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 0.67 7.81 103 Y 7.92 4.15 0.00 3.27 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 0.00 104 L 7.94 4.21 0.00 1.85 1.81 0.66 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.15 3.97 0.00 2.00 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 2.40 2.39 0.00 106 F 8.00 4.50 0.00 3.27 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.21 3.82 2.04 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 1.60 1.61 1.12 0.00 0.00 108 S 8.43 4.22 0.00 4.20 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.41 4.45 0.00 2.99 2.81 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 0.00 110 A 8.32 4.03 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 0.00 111 I 8.09 3.70 2.11 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 1.61 0.88 1.08 0.00 0.00 112 I 7.99 3.79 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.14 1.17 0.00 0.00 113 H 8.64 4.11 0.00 3.34 3.48 0.00 5.79 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 7.90 3.54 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 0.98 0.00 0.00 0.97 0.00 0.00 115 L 8.08 3.76 0.00 0.97 0.52 0.68 0.91 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 0.00 116 H 8.05 4.44 0.00 3.49 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.09 4.13 0.00 3.84 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 0.00 118 K 7.97 4.10 0.00 1.43 1.39 0.00 1.75 0.00 0.00 1.46 0.00 0.00 2.47 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.27 1.40 7.81 119 H 8.05 5.06 0.00 3.19 3.17 0.00 5.62 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 4.36 0.00 2.19 2.30 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.14 3.63 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 0.00 0.00 0.00 122 D 8.00 4.83 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.91 4.96 0.00 2.99 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 7.59 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 0.00 125 A 8.49 3.86 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 8.02 4.22 0.00 2.65 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 0.00 127 A 7.71 3.90 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 0.00 128 Q 7.88 3.06 0.00 1.34 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 129 G 7.93 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.15 3.84 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 M 8.35 4.05 0.00 2.45 2.42 0.00 0.00 0.00 0.00 0.00 2.44 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 T 8.06 3.90 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 1.22 0.00 0.00 133 K 8.12 4.00 0.00 1.78 1.69 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 7.79 3.81 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 0.00 135 L 8.16 4.18 0.00 1.79 1.84 1.01 0.73 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 0.00 136 E 8.47 3.98 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 137 L 8.11 4.00 0.00 1.83 1.96 1.01 1.00 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 8.25 4.18 0.00 3.10 3.21 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 0.00 139 R 8.16 3.39 0.00 1.95 1.82 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.95 0.00 140 N 8.38 4.17 0.00 2.96 2.90 0.00 0.00 7.26 8.22 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 0.00 141 D 8.25 4.35 0.00 2.69 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 0.00 142 I 7.57 3.31 1.33 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 -0.05 0.00 0.00 143 A 7.83 3.70 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 0.00 144 A 7.80 3.94 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 0.00 145 K 7.98 4.01 0.00 1.95 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 146 Y 8.42 4.50 0.00 3.15 3.21 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 0.00 147 K 8.21 3.93 0.00 1.98 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.63 7.81 148 E 7.67 4.05 0.00 2.18 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 2.49 0.00 149 L 8.05 4.32 0.00 1.99 1.77 0.95 1.29 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 0.00 150 G 7.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.31 4.80 0.00 2.73 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 0.00 152 Q 8.09 3.95 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 153 G 7.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00