NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7769 8.4201 119.2141 53.3523 41.4588 174.6566 0 A 4.5669 9.6416 130.9250 50.5768 16.6110 179.5135 2 K 4.3770 8.9913 115.8056 57.5468 36.6937 171.5493 3 K 4.2978 8.4495 127.1073 57.0744 33.4298 175.4061 4 T 5.1015 9.2329 125.2571 61.7698 71.7005 172.8100 5 L 4.8842 9.0521 129.9355 53.8918 43.9893 175.1815 6 I 4.8649 8.8178 128.0226 60.2337 38.8503 174.4748 7 L 4.7718 8.9315 130.8960 55.2085 43.4422 176.7479 8 G 4.2263 9.1520 115.4634 45.2923 0.0000 172.9633 9 A 4.1373 7.9202 121.3620 52.7169 18.8247 177.7391 10 T 4.7527 8.0290 114.4117 59.8796 70.5046 172.2264 11 P 4.5463 0.0000 0.0000 64.1967 32.2192 176.0452 12 E 3.8492 7.9941 120.0650 56.6155 29.0921 177.8824 13 T 2.8059 8.0074 115.2343 63.2328 68.9591 174.8865 14 N 4.5447 7.7726 117.9161 53.5461 38.3715 175.8345 15 R 4.4331 7.7404 119.6758 55.6780 32.3955 176.8492 16 Y 3.7427 8.8898 119.6788 61.1782 37.7596 179.0573 17 A 2.8134 7.5301 121.1018 54.4484 18.4128 179.0242 18 Y 3.6248 7.6803 117.7804 60.8518 39.1069 177.3040 19 L 3.8185 7.9518 119.7957 58.0238 41.6975 179.6145 20 A 3.8405 8.0557 120.4267 54.9362 18.2614 179.4363 21 A 3.2827 7.2542 119.2151 55.0181 18.2576 179.6395 22 E 3.5888 7.4880 116.8456 59.5933 29.5620 179.9695 23 R 3.8547 7.8203 117.8849 59.0397 30.2383 178.9770 24 L 3.8108 8.0551 119.1829 57.6630 41.6519 179.4722 25 K 3.9938 8.1539 119.9865 59.6740 31.9682 178.9497 26 S 4.1753 7.9420 112.6181 61.0767 63.0820 175.2641 27 H 4.4461 8.0141 118.3382 56.2952 28.8107 176.1022 28 G 3.9794 7.9754 109.2013 44.9732 0.0000 173.4385 29 H 4.5033 7.5803 116.7085 55.3374 29.7336 174.9615 30 E 4.2634 8.9672 123.9815 56.1992 30.4177 175.2133 31 F 5.5038 8.7598 122.2909 55.3858 40.6190 175.3611 32 I 4.4095 8.8079 121.8607 58.8877 40.4162 172.7988 33 P 4.9599 0.0000 0.0000 62.1248 32.7993 175.2309 34 V 4.8198 9.3139 124.8834 60.5237 35.2466 175.5552 35 G 4.3421 7.9311 113.0394 46.4320 0.0000 172.6007 36 R 4.3330 8.4516 114.0680 56.7058 30.5991 176.9246 37 K 4.1897 7.8406 118.4718 55.9638 32.7199 176.7805 38 K 4.1796 8.4082 122.7317 56.1947 33.1204 177.7070 39 G 3.9429 7.5911 108.1434 43.9890 0.0000 171.4919 40 E 5.0800 8.2917 117.3141 54.3070 32.4131 175.0249 41 V 4.3416 8.8804 121.9949 61.9429 33.1155 175.5978 42 L 3.7306 9.9200 129.5602 55.8738 39.1122 175.6928 43 G 4.0154 8.7636 105.6584 44.9034 0.0000 173.4853 44 K 4.5260 7.9879 120.1274 54.3056 33.9282 175.7265 45 T 4.3854 8.4680 120.7252 63.8788 69.0261 174.0581 46 I 4.0785 8.6167 128.2421 61.3392 38.0523 175.8603 47 I 4.0335 9.0300 129.1918 61.3069 37.3853 176.5425 48 N 5.2865 8.8261 123.7306 53.1461 39.4379 175.0599 49 E 4.4184 7.7451 117.1219 55.2953 32.1119 175.8866 50 R 4.1667 7.8180 114.2380 54.2386 29.9398 173.7204 51 P 4.3498 0.0000 0.0000 62.3274 32.5478 177.9670 52 V 3.9540 8.2972 121.4333 62.4250 30.3674 174.7866 53 I 4.1967 7.9997 127.7299 60.2381 38.1035 176.1762 54 E 4.1950 8.6233 124.4131 56.9780 30.3005 176.6154 55 G 3.8499 8.7444 108.5071 46.1562 0.0000 173.6720 56 V 3.6264 7.4929 120.4811 63.1041 32.1489 176.0860 57 D 4.3476 9.4298 128.9242 57.0873 42.3204 175.9353 58 T 5.0676 7.7395 114.1197 61.6270 72.5842 172.7293 59 V 4.5597 8.5932 126.4763 61.7980 33.4993 174.1843 60 T 4.7143 9.0822 123.5802 60.3648 67.9204 172.8102 61 L 4.6907 8.2296 129.4613 53.3477 43.3562 176.7530 62 Y 5.0474 9.0703 124.2439 57.9123 38.5125 175.5888 63 I 4.6694 7.8774 111.0197 58.3426 40.8546 175.3716 64 N 4.6790 8.4495 120.0253 52.1249 39.2720 174.3394 65 P 4.5340 0.0000 0.0000 65.8734 31.4025 178.6249 66 Q 4.1684 8.1511 116.3460 59.2363 28.5697 178.5056 67 N 4.5873 8.9240 115.1995 55.4738 38.7952 177.1234 68 Q 4.2283 7.9580 119.8985 58.4045 28.5412 177.9729 69 L 2.9105 7.4154 119.2750 57.7166 41.6757 179.3754 70 S 4.3770 7.9008 109.0076 59.5531 63.3003 174.6031 71 E 4.6999 8.6715 120.6645 56.3194 30.3113 176.9721 72 Y 4.4104 7.6872 116.8769 61.7365 38.0103 178.6051 73 N 4.4491 8.3493 116.4162 56.2453 38.7420 176.8709 74 Y 4.1961 8.0757 120.6883 60.7023 38.8094 177.7179 75 I 3.4614 7.9069 119.7264 64.3491 37.4683 177.8912 76 L 4.1128 8.0265 119.9240 58.0462 41.3346 179.9334 77 S 4.1072 8.1765 112.6058 61.2653 62.8203 176.0809 78 L 3.9123 7.4631 121.2409 54.9427 42.2577 176.7732 79 K 3.7495 7.9655 118.6547 56.5937 30.1017 172.7450 80 P 4.9543 0.0000 0.0000 61.8222 32.9061 176.9541 81 K 4.1903 8.5001 118.8627 59.2888 33.1286 177.2650 82 R 5.0024 7.6880 118.3334 54.7992 33.9762 173.8602 83 V 4.7330 8.7872 124.7194 61.1692 34.7090 174.0267 84 I 4.6610 8.6901 129.3339 60.1864 38.9611 175.1364 85 F 4.7809 9.2333 127.3964 55.2755 38.8018 175.4225 86 N 5.3649 7.8963 120.5692 51.3484 40.1051 172.8964 87 P 4.3633 0.0000 0.0000 64.8555 31.5871 177.1926 88 G 3.9631 9.1105 111.8472 45.6383 0.0000 173.6952 89 T 4.4649 7.9690 109.0621 60.9045 69.6393 174.4540 90 E 3.9346 8.0375 122.1004 57.5447 29.9390 177.2179 91 N 4.6543 8.5472 121.4080 51.5356 41.0641 174.5966 92 E 3.7214 8.5972 129.3882 58.9816 29.9171 177.7152 93 E 3.8836 8.2213 118.8860 59.3978 29.5962 178.5346 94 L 3.5119 8.0051 119.6979 57.8190 42.0314 178.3411 95 E 3.7856 8.0406 118.8959 59.7552 29.3776 179.4843 96 E 4.0175 7.9814 119.3695 58.8540 29.6075 179.4626 97 I 3.6505 7.7460 119.8337 64.2645 37.0722 178.3322 98 L 3.9411 8.1190 120.2779 57.9859 41.3713 179.8303 99 S 4.5191 8.2545 115.6482 61.0261 62.6331 176.0870 100 E 3.9808 8.3635 121.8082 58.8950 29.1816 178.0328 101 N 4.8856 7.6441 113.7329 52.5891 39.0636 175.5411 102 G 3.8890 7.7005 107.0219 46.3170 0.0000 173.6266 103 I 4.3919 7.8542 121.1491 59.0181 39.6178 174.5951 104 E 4.4730 8.6850 128.7852 55.0074 30.3585 173.7457 105 P 5.0897 0.0000 0.0000 62.5853 32.8273 175.8076 106 V 4.4107 9.0089 122.5749 61.2397 34.6784 174.0161 107 I 4.6955 8.4272 129.1822 60.7860 38.1516 175.2709 108 G 3.9787 8.1650 113.7168 46.5251 0.0000 170.9756 109 C 5.0826 7.9924 119.8158 57.7889 32.6197 173.8879 110 T 4.1631 9.3102 125.3062 67.1173 68.6987 175.5981 111 L 4.0903 8.2272 120.4252 58.0374 41.9313 180.7286 112 V 3.5163 7.3877 114.8185 63.4421 31.2863 177.5281 *114 L 4.2316 8.0437 119.9833 54.4428 43.4254 179.5472 115 S 4.1992 8.1606 113.4289 61.5132 62.7933 175.6659 116 A 4.0379 8.5468 121.9162 53.3733 18.2442 178.3659 117 G 3.9548 7.9117 102.7967 46.0438 0.0000 174.2511 118 T 4.4235 7.6443 107.0551 60.8451 69.8104 174.1780 119 F 4.1964 8.2358 129.4338 58.7270 39.3580 174.3797 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 N 8.42 4.78 0.00 2.74 2.90 0.00 0.00 6.99 7.08 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 A 9.64 4.57 0.99 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 2 K 8.99 4.38 0.00 1.81 1.85 0.00 1.40 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.39 7.81 3 K 8.45 4.30 0.00 1.87 1.88 0.00 1.65 0.00 0.00 2.06 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.51 7.81 4 T 9.23 5.10 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 1.41 0.00 0.00 5 L 9.05 4.88 0.00 1.74 1.57 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.82 4.86 2.02 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 1.26 0.75 1.07 0.00 0.00 7 L 8.93 4.77 0.00 1.86 1.59 1.07 1.00 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 8 G 9.15 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 0.00 0.00 0.00 0.00 9 A 7.92 4.14 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 10 T 8.03 4.75 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 11 P 0.00 4.55 0.00 2.22 2.33 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 12 E 7.99 3.85 0.00 2.05 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 0.00 2.29 2.22 0.00 13 T 8.01 2.81 3.82 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 0.50 0.00 0.00 14 N 7.77 4.54 0.00 2.84 2.92 0.00 0.00 6.07 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 15 R 7.74 4.43 0.00 2.00 1.91 0.00 3.36 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 16 Y 8.89 3.74 0.00 3.07 3.13 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 17 A 7.53 2.81 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 18 Y 7.68 3.62 0.00 3.10 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 19 L 7.95 3.82 0.00 1.49 1.46 0.25 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.06 3.84 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 21 A 7.25 3.28 0.40 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 22 E 7.49 3.59 0.00 2.02 1.85 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 2.07 1.95 0.00 23 R 7.82 3.85 0.00 1.69 1.90 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 24 L 8.06 3.81 0.00 1.67 1.71 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.15 3.99 0.00 1.77 1.84 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.55 7.81 26 S 7.94 4.18 0.00 3.99 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 27 H 8.01 4.45 0.00 3.35 3.39 0.00 5.82 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.98 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 29 H 7.58 4.50 0.00 3.14 3.54 0.00 5.66 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 30 E 8.97 4.26 0.00 2.06 1.87 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 2.34 2.22 0.00 31 F 8.76 5.50 0.00 3.08 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 32 I 8.81 4.41 1.90 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 1.20 0.64 0.92 0.00 0.00 33 P 0.00 4.96 0.00 2.22 2.41 0.00 3.56 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 34 V 9.31 4.82 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.04 0.00 0.00 35 G 7.93 4.34 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 0.00 36 R 8.45 4.33 0.00 1.93 2.06 0.00 3.05 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 37 K 7.84 4.19 0.00 1.80 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 38 K 8.41 4.18 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 39 G 7.59 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 40 E 8.29 5.08 0.00 2.07 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 0.00 2.22 2.34 0.00 41 V 8.88 4.34 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 0.81 0.00 0.00 1.11 0.00 0.00 42 L 9.92 3.73 0.00 1.96 1.72 0.35 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.76 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.99 4.53 0.00 1.91 1.63 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.64 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.19 1.24 7.81 45 T 8.47 4.39 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 1.22 0.00 0.00 46 I 8.62 4.08 1.91 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 1.30 0.67 1.00 0.00 0.00 47 I 9.03 4.03 1.89 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 0.62 0.97 0.00 0.00 48 N 8.83 5.29 0.00 2.69 2.85 0.00 0.00 7.27 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 49 E 7.75 4.42 0.00 1.89 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 2.25 2.35 0.00 50 R 7.82 4.17 0.00 1.34 0.66 0.00 2.21 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.07 0.00 51 P 0.00 4.35 0.00 2.23 2.07 0.00 3.83 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 2.07 1.98 0.00 52 V 8.30 3.95 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 1.07 0.00 0.00 53 I 8.00 4.20 1.90 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 1.45 0.88 0.92 0.00 0.00 54 E 8.62 4.20 0.00 1.96 1.87 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 2.29 2.30 0.00 55 G 8.74 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 56 V 7.49 3.63 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 0.95 0.00 0.00 0.92 0.00 0.00 57 D 9.43 4.35 0.00 2.83 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 58 T 7.74 5.07 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 1.20 0.00 0.00 59 V 8.59 4.56 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 0.85 0.00 0.00 0.86 0.00 0.00 60 T 9.08 4.71 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 61 L 8.23 4.69 0.00 1.37 1.32 0.16 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.07 5.05 0.00 2.87 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 63 I 7.88 4.67 1.92 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 1.51 0.70 0.98 0.00 0.00 64 N 8.45 4.68 0.00 3.05 3.02 0.00 0.00 6.13 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.53 0.00 2.09 2.25 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.50 0.00 66 Q 8.15 4.17 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 67 N 8.92 4.59 0.00 2.79 2.90 0.00 0.00 7.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.96 4.23 0.00 2.47 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 69 L 7.42 2.91 0.00 1.81 1.52 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.90 4.38 0.00 3.95 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 71 E 8.67 4.70 0.00 2.18 2.17 0.00 0.00 0.00 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 2.53 0.00 72 Y 7.69 4.41 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.35 4.45 0.00 2.83 2.95 0.00 0.00 6.65 7.48 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 74 Y 8.08 4.20 0.00 3.07 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 75 I 7.91 3.46 2.02 0.00 0.00 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 1.51 0.82 0.85 0.00 0.00 76 L 8.03 4.11 0.00 1.87 1.72 0.94 0.65 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 77 S 8.18 4.11 0.00 4.00 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 78 L 7.46 3.91 0.00 1.63 1.61 0.49 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.97 3.75 0.00 1.77 1.78 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 80 P 0.00 4.95 0.00 2.29 1.99 0.00 3.31 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 81 K 8.50 4.19 0.00 1.84 1.85 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.36 7.81 82 R 7.69 5.00 0.00 1.76 1.59 0.00 3.00 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 83 V 8.79 4.73 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 0.61 0.00 0.00 0.87 0.00 0.00 84 I 8.69 4.66 1.83 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 1.22 0.65 0.95 0.00 0.00 85 F 9.23 4.78 0.00 2.93 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 N 7.90 5.36 0.00 2.29 2.66 0.00 0.00 6.83 7.91 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 87 P 0.00 4.36 0.00 1.94 1.99 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 88 G 9.11 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 0.00 0.00 0.00 89 T 7.97 4.46 4.33 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 1.25 0.00 0.00 90 E 8.04 3.93 0.00 1.96 1.89 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 2.30 2.40 0.00 91 N 8.55 4.65 0.00 3.01 2.88 0.00 0.00 6.59 7.63 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 92 E 8.60 3.72 0.00 1.99 1.88 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 2.42 2.27 0.00 93 E 8.22 3.88 0.00 2.11 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 0.00 2.44 2.42 0.00 94 L 8.01 3.51 0.00 1.56 1.72 0.31 0.95 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 95 E 8.04 3.79 0.00 1.97 1.77 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 1.47 1.56 0.00 96 E 7.98 4.02 0.00 2.11 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 2.27 2.28 0.00 97 I 7.75 3.65 1.76 0.00 0.00 0.76 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 1.00 0.81 0.00 0.00 98 L 8.12 3.94 0.00 1.84 1.87 1.11 0.77 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 99 S 8.25 4.52 0.00 4.00 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 0.00 100 E 8.36 3.98 0.00 2.23 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 2.33 2.34 0.00 101 N 7.64 4.89 0.00 2.88 2.80 0.00 0.00 7.04 7.30 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 0.00 102 G 7.70 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 0.00 103 I 7.85 4.39 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.58 0.89 0.00 0.00 104 E 8.68 4.47 0.00 2.07 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 2.29 2.24 0.00 105 P 0.00 5.09 0.00 2.02 2.08 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 106 V 9.01 4.41 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 1.07 0.00 0.00 0.92 0.00 0.00 107 I 8.43 4.70 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.92 0.00 0.00 108 G 8.17 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 0.00 109 C 7.99 5.08 0.00 3.04 2.89 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 0.00 110 T 9.31 4.16 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 1.20 0.00 0.00 111 L 8.23 4.09 0.00 1.78 1.72 0.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.39 3.52 2.26 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 1.00 0.00 0.00 0.99 0.00 0.00 *114 L 8.04 4.23 0.00 1.77 1.38 0.56 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.16 4.20 0.00 4.02 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 0.00 116 A 8.55 4.04 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 0.00 117 G 7.91 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 0.00 0.00 0.00 118 T 7.64 4.42 4.26 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 1.23 0.00 0.00 119 F 8.24 4.20 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.