NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.3145 8.2431 119.6582 56.2271 30.6153 174.6106 19 G 4.1344 8.2530 111.0634 44.6356 0.0000 167.9403 20 Q 4.9697 9.1165 118.7765 55.2826 33.8869 170.9544 21 I 4.9934 8.7304 125.8076 59.6274 40.4328 174.3667 22 Q 5.0788 9.3584 126.2163 53.9776 31.9937 174.6858 23 V 4.6958 8.8241 123.4282 61.2294 34.6632 174.3094 24 I 4.2741 9.1999 129.6718 59.8446 38.2768 175.3261 25 L 5.2909 8.8310 128.3514 52.0551 43.7027 176.2332 26 G 4.3899 7.3236 109.7704 43.9669 0.0000 170.5026 27 P 4.5375 0.0000 0.0000 61.6330 31.5281 175.8504 28 M 3.7700 8.2364 117.4514 56.6051 32.0068 176.9841 29 F 4.1809 8.0939 117.8328 58.7521 36.2633 176.0493 30 S 4.5672 7.6179 113.4493 57.7039 63.5027 174.2497 31 G 3.8599 8.0690 109.2737 47.0576 0.0000 176.1929 32 K 3.8709 8.3255 120.7110 59.4878 32.0618 178.7847 33 S 4.1529 8.0413 114.6640 61.8579 62.6970 176.8503 34 T 3.8790 7.8241 117.9499 66.5849 68.3359 176.2100 35 E 3.9273 8.3824 121.4006 59.0088 29.5654 178.3530 36 L 3.9564 8.2407 120.7747 58.7749 42.0835 179.0810 37 M 4.0761 8.2227 118.4177 58.1134 31.7127 178.5554 38 R 3.8910 8.3760 119.4107 59.7885 29.7887 178.8604 39 R 3.9574 8.1409 117.6348 59.0730 30.0571 179.2694 40 V 3.6308 8.1107 118.2568 66.2644 31.5373 178.4184 41 R 4.0337 8.4685 118.0895 59.1306 29.5738 179.1855 42 R 3.8404 7.5589 117.3687 59.2790 30.3243 178.7858 43 F 4.2746 7.7063 117.1577 60.4185 38.9722 177.5269 44 Q 4.3635 8.3058 120.5900 58.8347 28.6862 178.3921 45 I 3.8449 8.0354 117.8491 63.1279 37.9448 176.4739 46 A 4.5659 7.6520 120.2747 51.9288 19.1128 177.6689 47 Q 3.9633 8.0936 117.2280 57.0604 27.0009 173.6330 48 Y 4.1295 7.8294 116.7851 57.6690 38.7916 174.9943 49 K 4.5129 8.6919 123.9469 56.6454 33.2104 175.8212 50 C 5.4634 8.7261 121.6059 57.9284 32.3143 173.1970 51 L 4.7159 8.6971 122.3003 53.5726 45.4800 174.8916 52 V 4.8446 8.5052 125.6292 61.2892 34.0506 173.9624 53 I 4.9408 9.0251 128.6366 59.4114 39.8112 174.5066 54 K 5.0032 8.7320 127.8340 54.3666 35.6981 174.3562 55 Y 4.8969 8.2519 124.6505 57.5510 39.0087 176.1488 56 A 3.8584 8.8897 131.2910 55.3354 18.5344 178.6984 57 K 3.6757 6.1677 112.1417 57.7706 32.2604 176.7675 58 D 4.4076 7.0850 119.4250 53.9889 40.0807 175.0624 59 T 4.4731 8.1256 116.0720 61.5029 69.2465 176.2833 60 R 3.8283 7.9724 123.0191 59.4632 30.1793 177.1134 *75 A 4.3619 7.6824 117.7264 51.6078 19.9352 176.2343 76 L 4.3464 8.6934 123.8107 53.4683 42.7529 175.0012 77 P 5.0734 0.0000 0.0000 63.0764 32.2194 175.5101 78 A 4.7678 9.0807 122.8165 51.4493 22.5283 176.4419 79 C 4.9863 9.0059 115.6262 59.7136 31.0481 174.7735 80 L 5.0804 7.6934 118.5628 52.6532 44.9134 177.5129 81 L 3.4437 8.6358 122.2119 57.0203 41.9577 179.2361 82 R 3.9677 8.2849 119.4858 59.5533 29.9568 177.6923 83 D 4.6238 7.7301 114.6320 55.7791 40.9570 176.6902 84 V 4.5725 7.9473 116.0072 60.0998 33.3531 176.6010 85 A 4.3133 8.0299 122.0686 56.0717 17.8363 179.7924 86 Q 3.9292 7.9801 116.8791 59.4794 29.5442 177.7664 87 E 4.1063 8.1978 118.9543 59.3173 29.3354 178.9941 88 A 4.0812 8.0325 120.0164 54.7847 18.5122 179.3642 89 L 4.2127 7.6886 116.8047 56.9743 41.7238 177.5698 90 G 4.1173 7.4341 106.4894 45.2213 0.0000 173.5449 91 V 4.4531 7.4133 116.9405 60.8953 35.0171 174.1546 92 A 4.3890 8.7320 126.6608 53.3027 20.5392 177.4560 93 V 4.5800 7.6673 115.1359 61.0575 34.8352 174.5141 94 I 4.8665 9.0085 129.1796 59.5787 39.7687 174.6588 95 G 4.3892 9.1538 115.4999 44.6787 0.0000 172.2881 96 I 5.0900 8.9049 124.9676 59.4512 40.6433 173.9582 97 D 4.9401 9.2723 127.6218 53.0825 43.3675 175.9623 98 E 4.0023 8.6894 122.6387 57.5123 27.0596 176.6107 99 G 3.9293 8.1629 108.1623 47.9947 0.0000 175.6254 100 Q 3.7508 7.5781 117.1909 58.5696 28.3507 177.1730 101 F 4.3053 7.0120 114.7284 57.2989 39.5076 175.2449 102 F 4.7636 7.5392 121.4179 55.1639 39.6375 175.2788 103 P 4.3794 0.0000 0.0000 64.7995 31.6083 176.8760 104 D 4.8818 8.0718 116.2484 53.0771 40.0682 177.5310 105 I 3.6655 7.8629 121.5167 64.8722 37.7760 177.7668 106 V 3.5945 7.8041 118.0141 66.3408 31.4877 177.7301 107 E 4.0202 8.1556 117.7282 59.0821 29.3021 178.8770 108 F 4.0602 8.3948 120.7535 61.5804 39.5135 176.9202 109 C 4.0494 8.2603 116.1713 62.8767 27.9686 175.8255 110 E 3.8794 8.2281 120.5809 59.1678 29.2141 178.7519 111 A 3.9108 8.0076 120.8102 55.3809 18.4482 179.5865 112 M 3.7762 8.0077 117.3404 58.3363 31.9717 178.8974 113 A 4.1706 7.9841 120.9616 55.2068 18.3361 179.3448 114 N 4.3841 8.0208 113.4967 55.4246 38.7042 176.4781 115 A 4.3515 7.3638 120.0524 52.0525 19.0310 177.8389 116 G 3.9362 7.9533 105.5751 44.6797 0.0000 173.9622 117 K 4.3931 7.9590 119.5170 56.0354 34.1033 176.4240 118 T 4.5134 8.3513 120.5684 62.7004 69.7288 173.8824 119 V 4.7160 8.9040 128.0679 61.1325 33.8411 174.4333 120 I 4.9590 8.9879 128.9425 59.4906 40.2676 174.5284 121 V 4.8349 8.9961 127.5191 61.0031 34.1675 173.8850 122 A 5.0898 8.9990 130.3684 50.7090 21.0787 175.5669 123 A 4.8208 8.3727 121.8502 50.4827 23.3303 175.6715 124 L 4.5435 8.5411 122.2474 54.3761 41.8477 177.5218 125 D 4.4866 9.0134 123.6895 55.0164 40.1745 176.4574 126 G 4.3791 7.7479 106.5927 43.3631 0.0000 172.4601 127 T 4.2804 8.4243 112.7156 60.0376 70.1794 175.3782 128 F 4.9716 8.9688 115.0507 58.9340 37.2071 175.7624 129 Q 4.2968 7.2999 118.8520 54.0053 28.6912 175.6998 130 R 3.6643 7.5830 115.8549 57.2634 28.3165 176.1996 131 K 4.5411 6.8740 111.7236 53.4740 34.6648 174.5608 132 P 4.4821 0.0000 0.0000 63.3137 31.6065 176.5785 133 F 4.1580 8.8549 125.3228 57.6656 39.0869 175.7487 134 G 3.8125 8.1671 120.8570 47.1377 0.0000 172.6259 135 A 4.5272 8.4139 126.9861 51.8768 19.6268 178.5522 136 I 3.6944 7.5590 119.2278 64.5960 37.9524 177.8774 137 L 4.1587 7.8815 118.6428 57.0426 41.3202 178.6399 138 N 4.4769 8.0501 115.8732 55.7279 38.7286 176.8148 139 L 4.1310 7.8716 120.5249 57.2440 41.5901 179.2641 140 V 3.5586 7.6704 118.4656 65.8123 31.2893 176.4355 141 P 4.3830 0.0000 0.0000 64.6098 31.2918 177.6360 142 L 4.2944 7.6208 115.9127 54.2402 42.3999 176.2241 143 A 4.6618 7.1347 122.4383 50.5089 20.3692 177.0145 144 E 4.2758 8.4042 119.4463 58.1732 30.8203 176.9623 145 S 4.6727 7.8903 115.1065 56.4907 65.9205 172.7421 146 V 5.0380 8.4135 126.0743 61.2986 34.4310 174.4539 147 V 4.5802 8.6930 126.1862 59.7585 35.2378 174.1049 148 K 4.9102 8.5220 123.4518 54.7002 33.9221 175.7441 149 L 4.5430 8.8340 128.4085 54.6257 42.8098 176.2511 150 T 4.7756 8.3442 109.5715 60.1993 71.6810 173.4327 151 A 4.7947 8.5937 125.4018 50.6317 22.5841 174.9366 152 V 4.5657 8.1044 116.9583 61.1919 33.4393 175.5778 153 C 4.4614 9.3506 129.3096 60.0633 32.0271 173.9637 154 M 4.2871 9.0492 125.7761 56.3085 31.9598 176.6375 155 E 4.2537 7.6546 117.4445 56.4576 31.7303 176.1978 156 C 4.4224 6.8918 109.5982 56.3768 31.0510 174.9069 157 F 4.1463 7.5554 117.7477 58.3816 36.6641 175.1681 158 R 4.5118 7.2033 121.0786 55.0830 32.3940 175.3881 159 E 4.5682 8.7721 118.9109 56.9095 30.2006 176.7061 160 A 4.8469 9.0873 125.1614 50.2127 21.6856 176.4213 161 A 4.4005 8.3379 120.7096 51.4479 20.8128 175.2026 162 Y 4.9829 7.7682 111.9068 56.1021 43.1367 174.5140 163 S 5.3185 8.8145 116.4637 56.9369 65.7397 172.9813 164 K 4.9335 9.4947 127.4944 54.6244 33.7551 175.3287 165 R 4.1394 8.8782 128.6855 56.4695 30.0801 176.2038 166 L 4.0730 8.8737 126.6325 56.3829 42.5254 177.0240 167 G 4.4748 7.7481 106.8285 43.7376 0.0000 172.4501 168 T 4.3352 8.1088 107.4654 61.6257 70.4717 174.8343 169 E 3.9883 7.9119 120.7924 56.7575 29.7951 177.4520 170 K 4.5261 8.3410 119.2633 56.6543 34.0678 176.8461 171 E 4.2228 7.9155 116.2705 55.9179 30.2719 177.1997 172 V 3.7471 8.4120 120.9094 66.1762 31.7867 176.6155 173 E 4.3865 8.1261 125.7694 55.7839 28.4809 176.0162 174 V 4.3253 8.2176 125.5744 60.6511 33.3551 175.0952 175 I 4.0021 8.5684 128.9885 60.3670 37.5970 176.1743 176 G 4.3149 7.9341 114.9159 45.9458 0.0000 173.4581 177 G 4.3695 7.7374 108.3508 45.2794 0.0000 176.6150 178 A 4.7750 9.2210 125.6139 53.7727 18.5440 178.3914 179 D 4.5469 8.2325 114.7128 55.2231 40.1007 177.0959 180 K 4.4277 8.3890 118.1629 56.4393 35.1689 175.8234 181 Y 5.4073 8.1166 116.1367 56.5039 42.7385 173.8578 182 H 5.5407 9.3753 119.8958 53.8925 31.9708 173.8116 183 S 5.1555 9.0206 118.1484 58.5175 64.6865 173.3943 184 V 4.9347 8.8765 122.3724 60.3402 35.2200 174.6064 185 C 4.8864 8.7134 118.1383 57.2849 30.9370 174.3463 186 R 4.0061 8.9749 118.6903 59.8298 29.2367 178.0753 187 L 4.1776 7.9764 116.5004 58.3054 41.8220 179.1034 188 C 4.3346 8.1689 115.8734 62.6224 27.9242 175.3480 189 Y 3.9000 8.1710 121.6334 60.1715 38.1585 177.1323 190 F 4.7913 7.6231 114.9442 57.2775 39.5117 175.7990 191 K 4.1805 7.5672 125.4581 56.6507 31.9878 176.2345 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 18 R 8.24 4.31 0.00 1.73 1.99 0.00 3.18 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 19 G 8.25 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 9.12 4.97 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 21 I 8.73 4.99 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 1.20 0.86 0.90 0.00 0.00 22 Q 9.36 5.08 0.00 1.92 1.97 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 2.28 2.26 0.00 23 V 8.82 4.70 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 0.97 0.00 0.00 0.92 0.00 0.00 24 I 9.20 4.27 1.86 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 1.23 0.61 0.90 0.00 0.00 25 L 8.83 5.29 0.00 1.66 1.56 0.91 0.65 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 26 G 7.32 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.54 0.00 2.20 2.21 0.00 3.81 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 28 M 8.24 3.77 0.00 0.66 1.45 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 29 F 8.09 4.18 0.00 3.25 3.14 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 30 S 7.62 4.57 0.00 4.15 3.96 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 0.00 0.00 0.00 31 G 8.07 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 32 K 8.33 3.87 0.00 1.77 1.85 0.00 1.88 0.00 0.00 1.95 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.50 7.81 33 S 8.04 4.15 0.00 3.88 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 34 T 7.82 3.88 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 E 8.38 3.93 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 36 L 8.24 3.96 0.00 1.84 1.79 0.96 0.94 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 37 M 8.22 4.08 0.00 2.09 2.12 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 2.64 2.86 0.00 38 R 8.38 3.89 0.00 1.95 2.10 0.00 3.08 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 1.62 1.68 0.00 39 R 8.14 3.96 0.00 2.10 2.06 0.00 3.22 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 40 V 8.11 3.63 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 1.08 0.00 0.00 0.98 0.00 0.00 41 R 8.47 4.03 0.00 1.92 1.99 0.00 3.20 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 42 R 7.56 3.84 0.00 1.66 1.69 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 43 F 7.71 4.27 0.00 3.05 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 44 Q 8.31 4.36 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 45 I 8.04 3.84 2.05 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 1.48 1.21 0.94 0.00 0.00 46 A 7.65 4.57 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 47 Q 8.09 3.96 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 48 Y 7.83 4.13 0.00 3.19 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 49 K 8.69 4.51 0.00 1.75 1.76 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.48 7.81 50 C 8.73 5.46 0.00 2.85 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 51 L 8.70 4.72 0.00 1.74 1.45 0.93 0.78 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 52 V 8.51 4.84 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 0.98 0.00 0.00 0.95 0.00 0.00 53 I 9.03 4.94 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.63 0.80 0.00 0.00 54 K 8.73 5.00 0.00 1.88 1.67 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.54 7.81 55 Y 8.25 4.90 0.00 2.90 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 56 A 8.89 3.86 1.14 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 57 K 6.17 3.68 0.00 0.79 1.51 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 0.99 7.81 58 D 7.08 4.41 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.13 4.47 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 1.13 0.00 0.00 60 R 7.97 3.83 0.00 1.92 2.07 0.00 3.27 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 *75 A 7.68 4.36 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 76 L 8.69 4.35 0.00 1.62 1.62 0.92 0.68 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 77 P 0.00 5.07 0.00 2.05 2.04 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 78 A 9.08 4.77 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 79 C 9.01 4.99 0.00 3.00 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 80 L 7.69 5.08 0.00 1.91 1.54 0.97 0.83 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 81 L 8.64 3.44 0.00 1.21 0.13 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.28 3.97 0.00 1.89 1.96 0.00 3.12 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 83 D 7.73 4.62 0.00 2.88 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 84 V 7.95 4.57 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 1.09 0.00 0.00 0.90 0.00 0.00 85 A 8.03 4.31 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.98 3.93 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 87 E 8.20 4.11 0.00 2.28 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 2.41 2.45 0.00 88 A 8.03 4.08 1.52 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 89 L 7.69 4.21 0.00 1.91 1.74 0.86 0.90 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 G 7.43 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 0.00 0.00 0.00 91 V 7.41 4.45 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 0.94 0.00 0.00 0.98 0.00 0.00 92 A 8.73 4.39 1.45 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 93 V 7.67 4.58 1.92 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 0.77 0.00 0.00 0.08 0.00 0.00 94 I 9.01 4.87 1.87 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 1.17 0.44 1.01 0.00 0.00 95 G 9.15 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.90 5.09 1.87 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 0.98 0.72 0.88 0.00 0.00 97 D 9.27 4.94 0.00 2.83 2.59 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 98 E 8.69 4.00 0.00 2.33 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 2.29 2.33 0.00 99 G 8.16 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 0.00 100 Q 7.58 3.75 0.00 1.36 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 101 F 7.01 4.31 0.00 1.79 1.45 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 0.00 102 F 7.54 4.76 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.38 0.00 2.11 2.17 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 104 D 8.07 4.88 0.00 2.91 2.92 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 0.00 105 I 7.86 3.67 2.18 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 0.99 0.00 0.00 106 V 7.80 3.59 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 1.03 0.00 0.00 0.95 0.00 0.00 107 E 8.16 4.02 0.00 2.08 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 2.43 2.34 0.00 108 F 8.39 4.06 0.00 3.16 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 0.00 109 C 8.26 4.05 0.00 3.23 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 0.00 110 E 8.23 3.88 0.00 2.08 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 2.29 2.34 0.00 111 A 8.01 3.91 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 0.00 112 M 8.01 3.78 0.00 1.74 1.77 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 113 A 7.98 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.02 4.38 0.00 2.72 2.86 0.00 0.00 7.00 7.50 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 0.00 115 A 7.36 4.35 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 0.00 116 G 7.95 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 0.00 117 K 7.96 4.39 0.00 1.79 1.62 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.49 7.81 118 T 8.35 4.51 3.70 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 0.92 0.00 0.00 119 V 8.90 4.72 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 0.83 0.00 0.00 0.88 0.00 0.00 120 I 8.99 4.96 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.93 0.00 0.00 121 V 9.00 4.83 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 0.96 0.00 0.00 0.95 0.00 0.00 122 A 9.00 5.09 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 0.00 123 A 8.37 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.54 4.54 0.00 1.21 1.46 0.87 0.63 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 0.00 125 D 9.01 4.49 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 134 G 8.17 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.41 4.53 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.56 3.69 1.89 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 1.43 1.16 0.97 0.00 0.00 137 L 7.88 4.16 0.00 1.73 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.05 4.48 0.00 2.89 2.90 0.00 0.00 7.00 7.18 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 0.00 139 L 7.87 4.13 0.00 1.89 1.71 0.93 0.52 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 0.00 140 V 7.67 3.56 2.18 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 1.03 0.00 0.00 0.93 0.00 0.00 141 P 0.00 4.38 0.00 2.06 2.10 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 142 L 7.62 4.29 0.00 1.77 1.85 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.13 4.66 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.40 4.28 0.00 2.01 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 0.00 2.29 2.39 0.00 145 S 7.89 4.67 0.00 3.86 3.68 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 0.00 146 V 8.41 5.04 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 0.88 0.00 0.00 0.93 0.00 0.00 147 V 8.69 4.58 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 0.92 0.00 0.00 148 K 8.52 4.91 0.00 1.72 1.69 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.63 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.38 7.81 149 L 8.83 4.54 0.00 1.53 1.58 0.95 0.83 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 0.00 150 T 8.34 4.78 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 1.17 0.00 0.00 151 A 8.59 4.79 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 0.00 152 V 8.10 4.57 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 0.93 0.00 0.00 0.98 0.00 0.00 153 C 9.35 4.46 0.00 3.03 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 0.00 154 M 9.05 4.29 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 155 E 7.65 4.25 0.00 1.80 1.84 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 2.14 2.14 0.00 156 C 6.89 4.42 0.00 3.00 2.99 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 0.00 157 F 7.56 4.15 0.00 3.28 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 0.00 158 R 7.20 4.51 0.00 1.90 1.91 0.00 3.16 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 159 E 8.77 4.57 0.00 1.85 1.86 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 2.32 2.33 0.00 160 A 9.09 4.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.34 4.40 0.37 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 0.00 162 Y 7.77 4.98 0.00 2.99 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 0.00 163 S 8.81 5.32 0.00 3.89 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 0.00 164 K 9.49 4.93 0.00 1.94 1.94 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.19 7.81 165 R 8.88 4.14 0.00 1.78 1.80 0.00 2.46 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.09 0.00 166 L 8.87 4.07 0.00 1.41 1.58 0.68 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.75 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.11 4.34 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 1.17 0.00 0.00 169 E 7.91 3.99 0.00 2.28 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 2.12 2.13 0.00 170 K 8.34 4.53 0.00 1.78 1.96 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.26 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.37 7.81 171 E 7.92 4.22 0.00 2.11 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 2.28 2.25 0.00 172 V 8.41 3.75 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 0.40 0.00 0.00 0.91 0.00 0.00 173 E 8.13 4.39 0.00 2.26 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 2.30 0.00 174 V 8.22 4.33 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 0.88 0.00 0.00 0.93 0.00 0.00 175 I 8.57 4.00 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.92 0.00 0.00 176 G 7.93 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 0.00 0.00 0.00 0.00 177 G 7.74 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 0.00 0.00 0.00 0.00 178 A 9.22 4.77 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.23 4.55 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 0.00 180 K 8.39 4.43 0.00 1.76 1.42 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.38 7.81 181 Y 8.12 5.41 0.00 3.17 2.99 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 0.00 182 H 9.38 5.54 0.00 3.11 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.02 5.16 0.00 4.08 4.66 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 0.00 184 V 8.88 4.93 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 0.99 0.00 0.00 1.00 0.00 0.00 185 C 8.71 4.89 0.00 3.20 3.29 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 0.00 186 R 8.97 4.01 0.00 2.21 2.16 0.00 3.30 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 187 L 7.98 4.18 0.00 1.73 1.80 0.97 0.98 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 0.00 188 C 8.17 4.33 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 Y 8.17 3.90 0.00 3.15 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 0.00 190 F 7.62 4.79 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.57 4.18 0.00 1.93 1.83 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.