NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2795 8.3031 122.0500 55.5787 32.0457 174.7239 9 G 3.9146 7.7061 107.3128 44.6890 0.0000 169.6770 10 K 4.8402 9.0927 125.9292 54.9759 35.1596 174.5555 11 T 4.4184 8.3610 117.7916 61.7229 68.2804 175.1801 12 A 4.0186 8.6561 130.0399 55.6937 18.2500 179.8227 13 N 4.2624 8.0640 114.2552 56.2959 38.7925 176.1674 14 E 4.2606 8.3044 119.0616 57.8793 29.7079 177.0958 15 S 4.7775 7.8697 112.8914 57.6462 64.6797 173.9432 16 R 4.4832 7.6935 122.1825 56.9175 30.5596 175.9518 17 V 4.4792 8.8730 125.5527 61.1346 34.9992 174.0967 18 F 5.5922 8.6247 124.5557 56.0458 42.8734 174.5541 19 K 4.5713 8.7638 119.5446 56.0882 36.1498 174.1924 20 T 5.2470 8.8159 123.7343 62.0491 71.4251 173.3345 21 S 4.9375 9.4498 121.3496 56.7885 67.8327 173.6669 22 R 4.3295 8.5337 120.4885 55.4377 31.7567 176.4706 23 V 4.1136 7.7171 119.6053 61.2564 32.0932 174.9993 24 F 4.5153 8.5034 126.6214 55.7677 40.2742 175.1779 25 P 4.3055 0.0000 0.0000 66.4114 31.0765 178.5416 26 T 3.9571 8.2081 114.2560 66.4357 68.6359 174.1644 27 D 5.2222 8.3698 119.5070 54.0398 40.9448 175.3309 28 L 4.8576 7.8037 119.5469 52.6642 44.1634 176.8709 29 N 4.3733 7.5083 120.4693 52.0209 39.2967 175.6848 30 D 4.7170 8.4528 118.0600 55.8670 40.4467 176.2814 31 H 4.8920 8.3360 116.0904 55.3766 29.6902 173.6060 32 N 4.1117 7.6961 114.5504 54.7261 36.9119 173.7087 33 T 5.0822 7.3590 110.0399 59.8049 71.2249 173.2370 34 L 5.1583 8.1531 127.4020 54.3902 42.7167 177.0639 35 F 4.0970 8.6442 120.6111 57.2067 39.8142 176.7012 36 G 3.0946 8.9414 110.0749 47.8370 0.0000 175.8476 37 G 3.7580 8.1635 107.3532 47.5130 0.0000 175.2558 38 K 3.9420 8.0313 121.7412 59.4809 32.0307 178.8452 39 I 3.9413 7.7805 117.9022 64.5117 37.2188 177.7349 40 L 4.2091 8.0094 118.4929 58.1164 41.5645 179.5395 41 S 4.3198 8.1753 113.9277 61.4331 62.9584 177.9756 42 E 3.9473 7.6870 120.3159 55.9426 29.3298 176.9804 *44 D 4.4941 7.9890 115.5751 54.2477 42.8425 176.8618 *46 V 3.8691 7.7744 118.8077 62.2527 33.3506 177.1851 47 A 4.0281 7.7543 121.0024 54.5505 18.2580 179.4857 48 S 2.7900 8.1103 113.3185 61.0075 63.1756 176.8209 49 I 3.6668 7.4555 123.0164 64.0822 36.8698 178.3526 50 S 4.2140 7.9983 116.9498 60.9424 62.6809 176.3914 51 A 3.9210 7.6592 123.6524 55.2969 18.0451 179.7660 52 S 4.4901 7.9935 112.2133 60.9101 63.0482 176.8769 53 R 3.8562 7.7154 121.4830 59.5105 29.9203 178.1300 54 H 4.3107 8.1499 116.7270 59.2376 30.0714 177.0565 55 S 4.3056 8.5461 114.6555 58.6446 63.3201 174.1977 56 R 3.9604 8.4288 120.1619 56.7911 28.0458 175.7618 57 K 4.6867 7.6378 113.8198 54.3808 36.1191 175.6593 58 E 4.3054 8.5726 121.4961 56.2823 30.6670 175.0564 59 C 5.1226 8.7268 123.6721 58.0704 31.4281 173.0927 60 V 4.5081 8.4036 121.3033 61.3608 33.8399 174.4596 61 T 3.5438 8.4707 122.2861 61.7500 67.2582 173.7655 62 A 4.3263 8.9212 132.0427 54.2816 19.5834 176.6120 63 S 4.0497 7.2589 111.4263 57.8703 67.3700 172.9867 *65 D 4.7248 8.6580 119.1606 53.5765 42.2177 176.1585 66 W 4.2988 8.9115 131.4511 57.5762 31.2940 175.4471 67 V 3.7148 6.9385 122.3186 60.8293 33.5147 174.1281 68 D 4.2422 7.8792 126.8536 52.5781 41.9468 176.7935 69 F 4.5178 8.1838 123.9240 55.7629 37.8156 175.1981 70 L 4.1153 8.2776 125.9390 57.4906 41.7905 177.4964 71 H 4.9737 7.7119 112.2021 53.4051 32.8835 170.9363 72 P 4.5963 0.0000 0.0000 62.4521 32.6808 176.5404 73 V 4.3641 8.1517 120.4121 61.5594 34.2802 175.1582 74 R 5.5476 9.3361 128.0945 53.9125 31.9956 178.1040 75 S 4.0872 8.6202 114.3487 61.1933 63.2154 175.3728 76 S 4.1785 7.9972 114.0696 58.8714 62.8783 172.3516 77 D 5.3863 7.7405 120.5854 52.6839 44.6828 174.4828 78 C 4.8772 8.6124 112.8931 56.7878 33.2308 173.5577 79 V 4.8287 8.4544 114.0208 59.9077 34.1081 174.9804 80 S 5.3033 8.5706 119.2366 56.9670 66.8551 172.6397 81 Y 5.0827 9.4986 120.9700 56.1735 41.3382 174.2842 82 E 5.2361 8.9511 123.9169 54.6138 33.4355 174.3752 83 S 5.2875 8.7599 119.3093 57.8606 67.0119 172.8018 84 F 5.2183 7.5231 113.5256 55.7929 40.6796 173.1826 85 V 4.1859 8.7638 121.8864 63.3639 31.6167 175.4506 86 I 4.9034 8.8713 125.8047 60.2162 39.4927 174.5221 87 W 4.9329 8.1113 127.7778 57.5309 33.1308 173.1329 88 T 4.7548 6.7973 112.7519 59.9620 72.6328 175.6934 89 G 3.7137 7.9573 110.2559 45.9494 0.0000 173.7417 90 R 4.2989 9.0978 124.2436 57.4680 31.2263 176.7200 91 T 5.1151 8.0925 104.1084 60.2774 70.0097 173.1351 92 S 5.8029 7.4922 117.1733 55.7993 65.7920 171.2587 *94 E 4.5716 8.4999 120.2484 56.8910 30.9131 175.6346 95 V 4.8276 9.2973 127.8607 61.3162 33.7766 174.4854 96 F 4.5814 8.7634 130.4212 57.4533 41.2992 174.4552 97 V 4.5690 6.6878 123.8603 60.7807 35.2413 173.7999 98 K 4.6729 8.7629 126.6690 54.9109 35.7860 174.9613 99 V 4.2845 8.8292 124.3503 61.2369 33.4645 174.2581 100 V 4.6641 8.4192 128.8166 61.1947 33.8655 174.0529 101 S 5.0210 8.7975 123.2817 56.9360 64.2368 172.1557 102 E 5.2336 8.7898 127.7685 54.2778 32.7285 174.0090 103 Y 4.2640 9.5242 129.8180 57.5202 39.4092 175.6188 104 L 3.8127 7.8236 128.3440 58.0091 41.8956 178.8285 105 I 4.0442 7.1638 110.0208 62.0467 38.1908 176.3172 106 S 4.5864 8.6192 113.6382 57.1991 63.9866 175.1490 107 G 3.9657 8.5278 108.7934 45.7973 0.0000 173.8546 108 E 4.2311 8.0832 120.5040 56.3623 30.4460 176.2446 109 K 5.6699 8.3844 121.6805 54.1322 36.1036 175.5198 110 R 4.6831 8.0818 119.1579 55.0140 34.9440 174.1033 111 I 4.3869 8.3229 122.4159 61.3980 37.3404 175.8778 112 A 4.5386 9.3783 128.7104 53.2261 20.6058 176.4196 113 A 4.5030 7.4494 114.9601 52.0393 22.2377 175.1983 114 T 4.7289 7.9134 108.3882 60.2422 72.5671 172.3838 115 S 4.5501 6.8396 115.8004 58.3130 66.9413 175.1426 116 F 5.3365 8.8854 120.5602 55.5111 41.5290 175.0782 117 V 4.5453 9.1267 123.7514 61.4040 34.3046 174.1105 118 T 4.9402 8.8032 124.7111 62.0776 70.5307 173.6978 119 F 5.2374 9.0154 124.1653 55.5911 43.1420 174.3282 120 V 4.9434 8.8222 120.6256 61.0870 34.5970 174.4189 121 A 4.7090 8.9408 130.0024 51.7356 19.6225 176.2214 122 L 5.4021 8.1980 120.9125 52.8415 45.7842 176.8628 123 S 4.5467 8.8779 116.9230 57.0855 64.2843 175.2956 124 K 4.0885 8.5619 119.4402 58.2574 31.6847 177.6321 125 E 4.5201 7.9828 115.9106 55.5446 29.8317 175.3205 126 N 4.2345 8.2577 114.4378 55.4367 36.4400 173.9101 127 N 5.0987 7.8247 114.2449 50.4930 42.1336 173.2631 128 P 4.8056 0.0000 0.0000 63.2001 31.9899 175.8078 129 V 4.4994 8.6411 124.6283 60.1520 34.3593 173.2802 130 P 4.9891 0.0000 0.0000 62.8653 31.9248 175.9745 131 V 4.5986 8.3072 121.5039 59.0354 34.3396 173.6662 132 P 4.5729 0.0000 0.0000 62.7842 32.2896 175.9116 133 R 4.4948 8.7089 117.5201 54.9871 31.3071 175.6041 134 V 4.8537 8.1758 120.3109 60.3982 34.1351 175.4322 135 I 4.3975 8.4034 123.3916 58.8084 39.5648 173.3755 136 P 4.4994 0.0000 0.0000 62.6676 31.1411 175.2562 137 D 4.5868 8.6717 123.5214 56.0766 42.7611 178.3130 138 T 4.1055 7.4534 108.3307 61.7669 71.1141 175.0907 139 E 3.9642 8.5673 120.3666 59.2504 29.3420 179.2228 140 E 3.9207 8.0690 119.0856 59.3494 29.7763 178.5941 141 E 3.9900 8.2210 118.6077 59.3554 29.4558 179.4945 142 K 4.0011 8.2682 118.6891 59.2604 32.1330 179.0905 143 E 3.9066 8.3901 119.5896 59.5856 29.6452 178.8950 144 S 4.1419 8.3198 115.4934 61.9011 62.7910 176.2805 145 H 4.2695 8.5618 120.8966 59.4096 29.6501 177.4526 146 R 3.9187 7.8837 119.3572 59.5027 29.9415 179.0573 147 I 3.6584 7.7603 119.1039 64.2874 36.9575 178.4265 148 A 3.1969 8.0061 121.6727 54.7805 18.2164 179.6316 149 V 3.3068 7.9025 117.1937 66.1656 31.2865 178.2734 150 L 3.8553 7.5039 117.3312 57.6934 41.6359 178.9894 151 R 3.7868 7.4851 118.3639 59.4642 29.9001 178.4450 152 A 3.5897 7.6138 120.5455 54.8778 17.9699 179.3047 153 E 4.0114 7.8515 116.1800 58.6127 29.8153 177.9676 154 Q 4.5884 7.4734 116.3323 55.2252 29.9080 177.5011 155 R 3.9235 7.8939 118.1576 59.4704 29.2822 178.5404 156 H 4.1999 8.2732 115.4704 58.3410 28.4406 177.7252 157 I 3.5265 7.1616 122.0431 64.2317 37.1395 178.0017 158 R 3.8591 7.6564 118.7295 59.4351 29.8661 179.0533 159 K 3.9160 8.2300 118.9197 59.4446 32.2115 178.7559 160 A 3.9790 7.9718 121.0222 54.9169 18.2453 179.3015 161 E 3.8883 8.3250 118.3110 59.4965 29.7524 179.2034 162 S 4.1385 8.1300 115.2896 61.5617 62.9185 176.8286 163 K 3.9906 8.4034 121.5960 59.1694 31.7362 179.3964 164 K 3.9224 7.9143 119.5988 59.3642 31.9305 178.9376 165 V 3.5425 7.4006 116.6780 66.1728 31.6388 177.4930 166 A 4.1146 7.9613 120.2085 55.3456 17.8593 179.7400 167 T 3.8832 7.5403 113.7570 66.6898 68.6880 176.1192 168 L 4.3648 7.5722 117.6908 55.3093 40.8492 176.0554 169 L 4.6159 7.1610 119.8256 53.7004 43.1231 175.6346 170 T 4.5379 8.4897 117.9144 60.2331 68.8078 174.1324 171 F 4.5327 7.9054 122.6685 57.0690 38.1069 174.3881 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 8 K 8.30 4.28 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.44 7.81 9 G 7.71 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.09 4.84 0.00 1.75 1.73 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.24 7.81 11 T 8.36 4.42 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 1.25 0.00 0.00 12 A 8.66 4.02 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 13 N 8.06 4.26 0.00 2.76 2.80 0.00 0.00 7.21 7.65 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 14 E 8.30 4.26 0.00 2.15 2.01 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 2.35 2.32 0.00 15 S 7.87 4.78 0.00 4.10 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 16 R 7.69 4.48 0.00 1.76 1.98 0.00 3.42 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.35 0.00 17 V 8.87 4.48 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 0.92 0.00 0.00 0.92 0.00 0.00 18 F 8.62 5.59 0.00 2.96 2.95 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 19 K 8.76 4.57 0.00 1.92 1.77 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.50 7.81 20 T 8.82 5.25 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 1.27 0.00 0.00 21 S 9.45 4.94 0.00 3.87 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 22 R 8.53 4.33 0.00 1.13 1.26 0.00 3.13 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 23 V 7.72 4.11 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 0.84 0.00 0.00 0.93 0.00 0.00 24 F 8.50 4.52 0.00 3.24 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 25 P 0.00 4.31 0.00 2.26 2.36 0.00 3.96 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 2.19 2.08 0.00 26 T 8.21 3.96 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 1.25 0.00 0.00 27 D 8.37 5.22 0.00 2.89 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 28 L 7.80 4.86 0.00 1.66 1.40 0.94 0.71 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 29 N 7.51 4.37 0.00 2.77 2.36 0.00 0.00 6.74 8.14 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 30 D 8.45 4.72 0.00 2.54 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 31 H 8.34 4.89 0.00 3.17 3.18 0.00 5.82 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.70 4.11 0.00 2.77 2.79 0.00 0.00 6.43 8.25 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 33 T 7.36 5.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 34 L 8.15 5.16 0.00 1.54 1.57 0.99 1.06 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 35 F 8.64 4.10 0.00 3.03 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 36 G 8.94 3.09 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 0.00 0.00 0.00 37 G 8.16 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.03 3.94 0.00 2.04 2.11 0.00 1.58 0.00 0.00 1.92 0.00 0.00 3.32 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.66 7.81 39 I 7.78 3.94 2.32 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.77 1.19 0.00 0.00 40 L 8.01 4.21 0.00 1.86 1.79 1.08 0.92 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 41 S 8.18 4.32 0.00 3.98 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 42 E 7.69 3.95 0.00 1.50 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 2.37 2.30 0.00 *44 D 7.99 4.49 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 V 7.77 3.87 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 0.88 0.00 0.00 0.89 0.00 0.00 47 A 7.75 4.03 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 48 S 8.11 2.79 0.00 3.91 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.46 3.67 1.95 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 1.59 0.52 0.88 0.00 0.00 50 S 8.00 4.21 0.00 3.90 3.92 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 51 A 7.66 3.92 0.94 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 52 S 7.99 4.49 0.00 4.08 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 53 R 7.72 3.86 0.00 2.05 2.05 0.00 3.33 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 1.77 1.78 0.00 54 H 8.15 4.31 0.00 3.18 3.33 0.00 5.75 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 55 S 8.55 4.31 0.00 4.05 4.06 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 0.00 0.00 0.00 56 R 8.43 3.96 0.00 1.89 2.03 0.00 3.08 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 57 K 7.64 4.69 0.00 1.67 1.67 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.51 7.81 58 E 8.57 4.31 0.00 2.11 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 2.38 2.43 0.00 59 C 8.73 5.12 0.00 2.90 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 60 V 8.40 4.51 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 1.02 0.00 0.00 0.97 0.00 0.00 61 T 8.47 3.54 3.28 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 1.31 0.00 0.00 62 A 8.92 4.33 1.25 0.00 0.00 0.00 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0.00 0.00 80 S 8.57 5.30 0.00 3.69 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 9.50 5.08 0.00 2.89 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 82 E 8.95 5.24 0.00 2.18 1.79 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 2.20 1.70 0.00 83 S 8.76 5.29 0.00 3.81 3.73 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 84 F 7.52 5.22 0.00 3.27 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 85 V 8.76 4.19 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 0.65 0.00 0.00 0.93 0.00 0.00 86 I 8.87 4.90 2.30 0.00 0.00 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 1.39 1.24 1.36 0.00 0.00 87 W 8.11 4.93 0.00 3.29 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 88 T 6.80 4.75 4.05 0.00 0.00 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1.16 0.00 0.00 139 E 8.57 3.96 0.00 2.00 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 2.31 0.00 140 E 8.07 3.92 0.00 2.04 1.94 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 2.38 2.42 0.00 141 E 8.22 3.99 0.00 2.15 1.93 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 2.01 2.21 0.00 142 K 8.27 4.00 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.62 7.81 143 E 8.39 3.91 0.00 2.17 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 2.32 2.40 0.00 144 S 8.32 4.14 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.56 4.27 0.00 3.44 3.63 0.00 5.79 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 0.00 146 R 7.88 3.92 0.00 2.07 1.98 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 147 I 7.76 3.66 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.98 0.00 0.00 148 A 8.01 3.20 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 0.00 149 V 7.90 3.31 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 1.10 0.00 0.00 1.02 0.00 0.00 150 L 7.50 3.86 0.00 1.74 1.61 0.88 0.77 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 0.00 151 R 7.49 3.79 0.00 1.44 1.52 0.00 2.83 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 152 A 7.61 3.59 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 0.00 153 E 7.85 4.01 0.00 2.09 2.01 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 2.34 2.42 0.00 154 Q 7.47 4.59 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 155 R 7.89 3.92 0.00 1.99 2.07 0.00 2.76 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 156 H 8.27 4.20 0.00 3.38 3.58 0.00 5.45 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.16 3.53 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 -0.01 0.83 0.00 0.00 158 R 7.66 3.86 0.00 1.98 1.96 0.00 3.26 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 159 K 8.23 3.92 0.00 1.89 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 160 A 7.97 3.98 1.39 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 0.00 161 E 8.33 3.89 0.00 2.22 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 2.28 2.37 0.00 162 S 8.13 4.14 0.00 4.04 3.88 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 0.00 163 K 8.40 3.99 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 164 K 7.91 3.92 0.00 1.95 1.79 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 165 V 7.40 3.54 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 0.87 0.00 0.00 0.97 0.00 0.00 166 A 7.96 4.11 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 0.00 167 T 7.54 3.88 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 0.00 168 L 7.57 4.36 0.00 1.82 1.78 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.16 4.62 0.00 1.89 1.75 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.49 4.54 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 1.23 0.00 0.00 171 F 7.91 4.53 0.00 3.15 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 * Residues marked with a * may have inaccurate shift predictions.