NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.7465 8.4444 117.8441 55.5859 29.0754 171.6045 9 V 4.3948 7.7105 122.1387 59.0406 34.3599 174.1844 10 F 4.1172 9.1225 125.9773 59.1051 40.3166 174.2553 11 S 4.2553 7.7599 121.7644 55.3243 63.3212 171.6192 12 P 4.1699 0.0000 0.0000 62.9957 31.7495 178.5388 13 Q 3.8999 9.0684 120.8921 57.9723 28.2717 176.8239 14 H 4.8234 7.9679 112.6434 55.5609 28.9128 176.6836 15 C 2.8659 7.7900 122.1321 59.5075 43.1619 176.3149 16 G 3.3469 7.6443 105.1395 47.0355 0.0000 173.8116 17 C 4.2210 7.6888 118.5424 60.3501 28.5459 174.0660 18 D 4.9071 8.3546 121.0251 54.9126 41.5420 176.2475 19 R 4.5208 7.4171 115.7840 55.5333 34.0092 173.6282 20 L 4.8069 8.1919 118.8993 53.8608 43.7250 176.9402 21 T 4.2818 8.5224 118.4849 65.6019 69.0852 175.2679 22 S 4.6397 7.6095 115.3029 56.6855 64.0166 174.4872 23 I 2.8974 7.5915 123.6960 62.3079 37.9850 177.3720 24 D 4.3578 7.7153 119.1195 57.2541 41.0126 177.4964 25 D 4.6010 7.7014 117.5028 55.1417 40.8994 178.5655 26 V 3.6343 7.3087 120.3866 65.9896 31.6529 177.8372 27 R 3.5840 7.6031 117.9969 59.3295 29.9987 178.0391 28 Q 4.0183 7.9671 118.9541 59.1748 29.0789 177.7348 29 C 4.2062 8.1685 119.7412 62.5724 31.7310 175.5168 30 L 4.2075 8.0282 120.6291 58.0808 41.2274 179.5152 31 T 3.9939 8.0227 115.5831 67.0763 68.4360 176.5874 32 E 4.3371 8.4386 120.0596 59.2761 29.3222 178.8121 33 Y 4.5755 8.3576 121.2908 60.5267 38.6871 178.3440 34 I 3.5737 7.8120 119.1921 64.3028 37.4529 177.5963 35 Y 4.1615 8.3289 120.5158 60.4793 38.5483 177.7570 36 W 4.1816 8.9569 129.6729 60.5273 30.9757 177.5666 37 S 3.8164 8.2841 113.8424 59.9507 62.1809 176.5684 38 S 4.3228 7.8245 119.5250 61.4054 62.6634 174.2551 39 Y 4.2564 6.9721 118.1772 57.5379 42.8882 175.8667 40 A 3.5681 6.2577 123.2617 54.0981 18.5927 178.6044 41 Y 3.2208 6.3762 113.7342 58.5700 37.8579 177.0298 42 R 4.1775 6.4779 115.0053 56.3592 30.0329 176.4519 43 N 4.8681 7.7671 113.5170 52.7376 40.6992 174.5708 44 R 4.3913 7.7323 119.0531 55.3937 31.1482 174.1326 45 Q 4.6189 8.4795 124.2775 55.2375 29.9397 177.0898 46 C 4.5071 8.5349 117.4991 55.1768 41.3619 173.9151 47 A 3.9833 8.3680 127.1599 52.6663 18.9663 178.3877 48 G 4.3692 7.0442 105.2617 44.3130 0.0000 174.5993 49 Q 4.0655 9.2669 120.3550 58.0188 28.6643 179.0382 50 L 3.8523 7.7742 121.4447 58.5138 41.8987 178.4762 51 Y 3.6033 7.9705 115.7084 60.2358 37.5674 178.0751 52 S 4.0905 7.4892 113.9582 61.5481 62.8695 175.9168 53 T 3.8089 7.7145 118.2727 66.4929 68.1065 176.3495 54 L 2.4676 7.1474 120.6199 57.5681 41.6459 179.7903 55 L 4.1805 7.7360 120.0030 57.0514 41.5605 179.2739 56 S 4.4121 7.6525 112.5732 60.0990 63.0014 175.9235 57 F 5.1919 8.1841 123.5661 59.4140 38.5896 176.9982 58 R 4.0061 8.1094 118.7875 59.5710 29.8576 178.1174 59 D 4.3881 8.2137 118.8334 57.4584 40.6821 178.4441 60 D 4.3813 8.1099 118.7467 56.8834 40.8737 178.5464 61 A 4.0998 8.2888 121.5929 55.4329 18.4005 179.4552 62 E 4.0313 8.3441 117.1319 59.5978 29.2480 179.5202 63 L 3.9592 7.7110 119.4129 57.5721 42.1833 178.4467 64 V 3.7851 7.1542 116.9052 63.9758 31.8833 176.4298 65 F 4.5351 8.1167 114.2673 56.2221 39.8433 176.4680 66 I 3.1879 7.6019 122.5132 61.3707 36.0441 174.5708 67 D 4.7020 8.3361 132.6325 53.0800 42.1847 175.1583 68 I 3.7049 8.0316 121.7589 63.1995 37.6985 177.9112 69 R 3.7597 7.7020 120.3034 59.5073 29.9279 178.0392 70 E 3.9577 8.4764 118.8476 58.8822 29.3319 178.5216 71 L 3.9896 7.4260 119.6403 57.9142 42.2295 178.6427 72 V 4.1859 7.9055 117.7548 65.9463 31.5112 177.8937 73 K 4.3003 7.5317 117.3540 59.3839 31.9984 180.2550 74 N 4.7266 7.6582 114.9127 52.0612 39.8247 174.1428 *76 P 4.1444 0.0000 0.0000 62.4775 31.4756 176.6625 77 W 4.1629 7.9538 125.1666 59.5594 29.5041 177.2017 78 D 4.4213 7.9642 116.8023 54.6902 39.4333 176.2918 79 D 4.6594 8.0599 119.5533 51.4090 42.4895 175.6001 80 V 3.6170 8.1693 125.9579 65.7702 31.8913 177.3048 81 K 3.8782 8.1592 117.6568 59.8053 31.9173 178.6190 82 D 4.3073 8.0287 118.0829 57.3053 41.0879 177.9259 83 C 3.8075 8.0578 117.1400 62.7303 28.0940 175.9685 84 A 4.0043 8.1156 122.2568 55.1501 17.6923 179.5339 85 E 3.9468 7.7712 116.0675 59.5427 29.8237 179.3642 86 I 3.8988 7.8587 119.8034 64.4465 37.1101 178.4041 87 I 3.9359 7.8828 120.6630 64.6438 37.0458 178.3515 88 R 4.7479 8.1071 118.5873 57.6153 29.5488 178.6949 89 C 4.1421 8.0042 117.2358 62.8796 28.2231 175.1266 90 Y 4.3629 8.1376 116.6030 59.5080 39.1098 176.1442 91 I 4.4085 8.0155 123.6757 58.9134 37.1663 174.4874 92 P 4.6838 0.0000 0.0000 64.7233 31.8110 177.4977 93 D 4.5763 7.7374 115.9777 53.9434 41.4415 176.1253 94 E 3.9128 8.7661 125.0981 59.5664 29.9235 177.4716 95 Q 4.1811 7.9139 117.1342 54.3368 27.4634 177.8411 96 K 4.7352 8.1906 123.5640 54.3571 34.2027 177.4569 97 T 4.3613 8.7644 112.6493 60.7451 71.6807 175.7833 98 I 3.5206 8.1989 121.4823 64.3806 37.7508 178.1382 99 R 3.8071 7.7882 119.0978 59.2915 30.0299 178.1467 100 E 3.8472 7.9130 118.1758 59.3578 29.4992 179.4310 101 I 3.6713 7.8986 120.0813 64.4153 37.1557 178.7052 102 S 3.4113 7.7139 115.3864 61.0082 62.5112 176.3443 103 A 4.1136 8.0212 123.6966 55.4554 18.0893 179.7292 104 I 3.8661 7.7968 118.0536 64.7328 37.2210 178.8369 105 I 3.9828 7.8769 120.5430 64.2364 37.0904 178.5706 106 G 3.9289 8.8186 107.0225 47.9984 0.0000 175.4209 107 L 4.0622 8.6694 123.5060 58.0886 42.1120 178.8925 108 C 4.2279 8.3654 116.5212 62.6606 28.1716 175.9457 109 A 3.8754 8.3050 122.6147 54.9398 17.8422 179.1448 110 Y 3.7802 8.0578 117.7395 60.7444 38.9387 177.8064 111 A 3.8313 8.3029 121.6978 55.1301 18.2033 179.5059 112 A 3.8346 7.8059 119.2120 55.4360 18.1587 180.0989 113 T 4.1256 7.2055 114.4661 66.0822 68.5496 176.0393 114 Y 3.6941 7.5174 120.7872 60.2482 38.8511 177.8008 115 W 4.6358 7.8870 116.6210 56.4530 29.7612 176.8822 116 G 4.0867 6.6518 107.8425 44.7100 0.0000 173.1417 117 G 3.8822 8.0979 109.1151 44.0726 0.0000 173.3435 118 E 4.2074 8.3475 117.1163 57.3242 29.8739 176.8619 119 D 4.7136 7.4032 114.4889 52.5508 41.1469 173.9756 120 H 3.4769 6.9962 114.5181 54.0275 30.8603 170.8510 121 P 4.8556 0.0000 0.0000 62.1304 32.6236 175.2185 122 T 4.7394 8.3827 109.0993 59.2777 72.9359 174.9950 123 S 4.1535 8.5755 117.0230 62.1310 62.8511 176.9461 124 N 4.2481 7.9773 118.6759 56.1431 38.0698 177.5325 125 S 4.0845 7.9012 114.8040 61.2983 63.3950 176.2551 126 L 4.0036 8.1112 122.6391 57.6977 41.3509 179.2110 127 N 4.7000 8.3788 116.0250 56.2633 38.1814 177.2064 128 A 4.2085 7.5779 121.2530 55.0692 18.4310 179.0334 129 L 3.9743 7.4420 118.0053 58.3116 42.3570 178.9135 130 F 4.7961 7.5239 116.9034 59.8017 38.7885 178.1068 131 V 4.0261 7.8750 114.8076 63.7638 31.1380 176.4961 *133 L 4.5427 7.8068 118.4212 54.5447 43.2999 178.5049 134 E 3.9713 8.3719 114.1980 57.1335 29.0916 176.0096 *136 L 4.0822 7.7317 116.2462 54.2421 42.6885 176.3270 137 N 5.0693 8.3771 120.9887 51.1939 39.7208 175.3601 138 Y 4.5575 8.9984 115.9337 60.4449 37.9008 178.2915 139 V 3.3038 6.9621 119.4880 65.6002 31.5918 177.6157 140 D 4.2829 8.4155 119.2424 57.3620 40.4760 178.2588 141 Y 4.3072 7.6203 117.0660 61.0187 37.5799 178.2154 142 N 4.5095 7.8768 117.1560 56.0276 38.7789 177.3792 143 I 3.9437 7.3932 120.7222 64.4427 37.4837 178.3034 144 I 3.6932 7.8630 118.9541 63.5202 37.5157 177.4429 145 F 4.4344 7.9697 120.9374 61.4161 39.2267 176.6926 146 R 3.9166 8.1116 116.3277 57.4886 30.2195 176.7737 147 R 4.3837 7.6013 118.4062 55.9859 30.6966 175.9454 *149 N 4.2874 8.1632 121.1774 53.8095 39.0360 173.4180 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 H 8.44 4.75 0.00 3.18 3.42 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.71 4.39 2.12 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 0.79 0.00 0.00 0.99 0.00 0.00 10 F 9.12 4.12 0.00 3.25 3.23 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 11 S 7.76 4.26 0.00 3.69 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.17 0.00 1.98 2.09 0.00 3.29 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.29 0.00 13 Q 9.07 3.90 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 14 H 7.97 4.82 0.00 3.34 3.37 0.00 5.82 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 15 C 7.79 2.87 0.00 2.70 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.64 3.35 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 0.00 17 C 7.69 4.22 0.00 3.25 3.06 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 18 D 8.35 4.91 0.00 2.62 2.68 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 19 R 7.42 4.52 0.00 1.75 1.89 0.00 3.49 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 L 8.19 4.81 0.00 1.88 1.80 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.52 4.28 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 1.26 0.00 0.00 22 S 7.61 4.64 0.00 3.84 3.69 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 23 I 7.59 2.90 1.03 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 1.19 0.58 0.72 0.00 0.00 24 D 7.72 4.36 0.00 2.68 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 25 D 7.70 4.60 0.00 2.87 2.67 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 26 V 7.31 3.63 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 1.28 0.00 0.00 1.02 0.00 0.00 27 R 7.60 3.58 0.00 1.11 1.64 0.00 3.36 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 28 Q 7.97 4.02 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 29 C 8.17 4.21 0.00 2.99 3.12 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 30 L 8.03 4.21 0.00 1.98 1.94 1.25 0.98 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 31 T 8.02 3.99 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 32 E 8.44 4.34 0.00 2.36 2.52 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 2.81 2.54 0.00 33 Y 8.36 4.58 0.00 2.88 3.25 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 34 I 7.81 3.57 2.03 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 1.75 1.01 0.85 0.00 0.00 35 Y 8.33 4.16 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.96 4.18 0.00 3.88 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 37 S 8.28 3.82 0.00 3.78 3.51 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 38 S 7.82 4.32 0.00 3.82 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 39 Y 6.97 4.26 0.00 2.88 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 40 A 6.26 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 6.38 3.22 0.00 1.93 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 42 R 6.48 4.18 0.00 1.65 1.53 0.00 2.90 0.00 0.00 2.95 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.18 0.00 43 N 7.77 4.87 0.00 2.58 2.77 0.00 0.00 6.63 9.01 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 44 R 7.73 4.39 0.00 1.77 2.22 0.00 3.28 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 45 Q 8.48 4.62 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 46 C 8.53 4.51 0.00 2.28 2.25 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 47 A 8.37 3.98 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 48 G 7.04 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 49 Q 9.27 4.07 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 50 L 7.77 3.85 0.00 1.79 1.85 0.86 1.08 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 51 Y 7.97 3.60 0.00 2.84 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 52 S 7.49 4.09 0.00 3.79 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 53 T 7.71 3.81 4.16 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 0.00 0.00 1.05 0.00 0.00 54 L 7.15 2.47 0.00 0.75 0.23 -0.42 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.74 4.18 0.00 1.70 1.79 1.17 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.65 4.41 0.00 4.08 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 0.00 57 F 8.18 5.19 0.00 3.23 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 0.00 58 R 8.11 4.01 0.00 2.04 2.12 0.00 3.23 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 59 D 8.21 4.39 0.00 2.96 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 60 D 8.11 4.38 0.00 2.79 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 61 A 8.29 4.10 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.34 4.03 0.00 2.13 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 2.47 2.45 0.00 63 L 7.71 3.96 0.00 1.87 1.78 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.15 3.79 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 0.07 0.00 0.00 0.75 0.00 0.00 65 F 8.12 4.54 0.00 2.93 2.67 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 66 I 7.60 3.19 1.96 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 1.23 0.48 0.94 0.00 0.00 67 D 8.34 4.70 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.03 3.70 1.62 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.02 0.92 0.00 0.00 69 R 7.70 3.76 0.00 1.89 2.09 0.00 3.43 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 70 E 8.48 3.96 0.00 2.13 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 2.32 2.38 0.00 71 L 7.43 3.99 0.00 1.75 1.73 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.91 4.19 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 0.69 0.00 0.00 1.21 0.00 0.00 73 K 7.53 4.30 0.00 1.86 1.92 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.12 1.39 7.81 74 N 7.66 4.73 0.00 2.82 2.87 0.00 0.00 7.07 7.90 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 *76 P 0.00 4.14 0.00 2.19 2.17 0.00 3.05 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 1.99 2.01 0.00 77 W 7.95 4.16 0.00 2.82 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 78 D 7.96 4.42 0.00 2.76 2.75 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 79 D 8.06 4.66 0.00 2.71 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 0.00 0.00 0.00 0.00 80 V 8.17 3.62 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 1.12 0.00 0.00 1.11 0.00 0.00 81 K 8.16 3.88 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 82 D 8.03 4.31 0.00 2.92 2.68 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 83 C 8.06 3.81 0.00 3.01 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.12 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 85 E 7.77 3.95 0.00 2.17 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 2.47 2.49 0.00 86 I 7.86 3.90 1.93 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 1.52 0.79 0.95 0.00 0.00 87 I 7.88 3.94 2.07 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 1.39 0.82 1.10 0.00 0.00 88 R 8.11 4.75 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 89 C 8.00 4.14 0.00 3.24 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 90 Y 8.14 4.36 0.00 3.14 2.91 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 91 I 8.02 4.41 1.94 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 1.25 1.26 0.96 0.00 0.00 92 P 0.00 4.68 0.00 2.03 2.10 0.00 3.73 0.00 0.00 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 93 D 7.74 4.58 0.00 2.65 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 94 E 8.77 3.91 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 95 Q 7.91 4.18 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.61 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 96 K 8.19 4.74 0.00 1.67 1.70 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.56 7.81 97 T 8.76 4.36 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 1.21 0.00 0.00 98 I 8.20 3.52 1.83 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 1.44 1.25 0.86 0.00 0.00 99 R 7.79 3.81 0.00 1.85 1.83 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 100 E 7.91 3.85 0.00 2.11 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 2.24 2.27 0.00 101 I 7.90 3.67 1.75 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 1.42 1.08 0.80 0.00 0.00 102 S 7.71 3.41 0.00 3.66 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 0.00 103 A 8.02 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 0.00 104 I 7.80 3.87 2.08 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 1.71 0.83 1.00 0.00 0.00 105 I 7.88 3.98 2.10 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 1.61 1.09 1.30 0.00 0.00 106 G 8.82 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 0.00 107 L 8.67 4.06 0.00 1.66 1.90 0.72 0.47 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 0.00 108 C 8.37 4.23 0.00 3.19 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 0.00 109 A 8.31 3.88 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 0.00 110 Y 8.06 3.78 0.00 3.16 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 0.00 111 A 8.30 3.83 0.73 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 0.00 0.00 112 A 7.81 3.83 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 0.00 113 T 7.21 4.13 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 0.70 0.00 0.00 114 Y 7.52 3.69 0.00 2.37 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.89 4.64 0.00 3.26 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 0.00 116 G 6.65 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 0.00 0.00 0.00 117 G 8.10 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 0.00 0.00 0.00 118 E 8.35 4.21 0.00 1.85 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 2.19 2.25 0.00 119 D 7.40 4.71 0.00 2.64 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 0.00 120 H 7.00 3.48 0.00 2.99 3.17 0.00 5.45 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.86 0.00 2.24 2.11 0.00 3.33 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 122 T 8.38 4.74 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 1.28 0.00 0.00 123 S 8.58 4.15 0.00 3.86 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 0.00 124 N 7.98 4.25 0.00 2.36 1.88 0.00 0.00 6.87 7.09 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 0.00 125 S 7.90 4.08 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.11 4.00 0.00 1.97 1.80 1.03 0.66 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 0.00 127 N 8.38 4.70 0.00 3.05 3.15 0.00 0.00 6.94 6.52 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 0.00 128 A 7.58 4.21 1.09 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 0.00 129 L 7.44 3.97 0.00 1.44 1.33 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 130 F 7.52 4.80 0.00 3.34 3.06 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 0.00 131 V 7.88 4.03 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 0.91 0.00 0.00 1.20 0.00 0.00 *133 L 7.81 4.54 0.00 2.07 1.93 1.17 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.37 3.97 0.00 2.09 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 0.00 2.37 2.38 0.00 *136 L 7.73 4.08 0.00 1.47 0.98 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.38 5.07 0.00 3.18 3.05 0.00 0.00 6.37 7.33 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 0.00 138 Y 9.00 4.56 0.00 3.33 3.30 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 0.00 139 V 6.96 3.30 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 0.91 0.00 0.00 0.20 0.00 0.00 140 D 8.42 4.28 0.00 2.54 2.45 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 0.00 141 Y 7.62 4.31 0.00 3.19 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 0.00 142 N 7.88 4.51 0.00 2.80 2.94 0.00 0.00 7.06 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 0.00 143 I 7.39 3.94 2.00 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 1.40 0.82 0.88 0.00 0.00 144 I 7.86 3.69 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 1.11 0.00 0.00 145 F 7.97 4.43 0.00 3.17 3.41 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 0.00 146 R 8.11 3.92 0.00 1.84 1.92 0.00 3.37 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 147 R 7.60 4.38 0.00 2.10 2.12 0.00 3.13 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 *149 N 8.16 4.29 0.00 2.60 2.56 0.00 0.00 7.09 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 * Residues marked with a * may have inaccurate shift predictions.