NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3748 0.0000 0.0000 61.9595 31.7228 175.6556 3 R 3.7882 8.3791 124.0422 55.5638 30.5873 174.9215 4 A 4.5492 8.9307 128.4388 49.3125 20.0600 175.4657 5 K 4.0315 8.3493 120.2934 57.0273 32.7573 177.6191 6 T 3.9280 8.6889 116.8145 65.2836 69.2262 175.3261 7 G 3.8553 7.9486 109.6764 46.2687 0.0000 174.3670 8 V 3.6686 8.4445 117.4482 65.9017 32.2709 178.8961 9 V 3.4788 7.3869 119.1821 66.2632 31.3140 178.0234 10 R 3.8611 7.9488 117.6656 59.3049 30.0384 178.2239 11 R 3.9404 7.9666 118.4704 59.5288 30.0052 178.7378 12 R 3.9168 7.9187 117.2555 59.3013 29.6467 178.9076 13 K 3.8894 7.9847 118.1704 59.9508 31.8980 178.9349 14 H 4.2784 8.3747 116.7327 58.6350 28.7355 177.9319 15 K 3.9861 8.3930 120.6253 59.6686 32.3097 178.8598 16 K 3.8298 8.2246 121.2247 59.6154 32.0817 178.8127 17 I 3.7270 7.3776 118.8211 64.3789 36.9230 178.2617 18 L 4.0194 8.0660 119.9351 57.7422 42.0672 179.0088 19 K 4.0663 8.2231 118.8683 59.4363 31.8132 178.9023 20 L 3.9375 7.1704 116.8105 57.8510 41.6780 178.7903 21 A 3.9678 7.7081 117.9608 51.2921 18.5814 177.3603 22 K 3.8999 7.0039 118.4246 57.9202 32.5681 177.6141 23 G 3.9242 8.6746 110.7080 45.5860 0.0000 173.6208 24 Y 4.7904 6.7169 115.0265 57.4475 39.4811 173.8648 25 W 4.6578 8.9797 129.7088 57.0783 33.1878 176.4903 26 G 3.7393 8.0153 114.0757 46.0631 0.0000 174.8760 27 L 3.9516 8.5892 118.3283 57.6140 42.2018 179.2042 28 R 3.9899 8.1879 118.7300 58.3283 30.0972 177.5464 29 S 4.8386 8.3476 110.7308 58.0132 63.2237 174.3202 30 K 4.6452 8.1696 117.2113 55.9311 34.1399 176.4145 31 S 4.3581 7.5086 113.1031 58.4601 64.9787 175.8554 *33 R 4.4151 8.2356 114.8002 56.1649 31.3247 177.3305 34 K 4.0195 7.8588 119.2413 59.4758 31.9340 178.5485 35 A 4.5718 7.9195 122.3790 54.6095 18.1427 179.2351 36 R 3.4851 7.5478 115.7210 59.8630 30.1506 178.1716 37 E 4.2448 8.2436 117.3610 60.2031 29.4637 179.6418 38 T 3.7697 7.7283 115.2677 66.5493 68.3745 176.8286 39 L 4.0064 8.2987 121.2942 57.4736 41.6904 179.3540 40 F 4.3634 8.0531 117.9931 60.7719 38.9036 177.6103 41 A 3.7571 7.8816 119.4351 54.7931 18.0630 179.4686 42 A 3.9337 8.0253 119.4603 55.2001 18.5238 179.8160 43 G 3.7423 8.3562 104.5650 48.4433 0.0000 175.5757 44 N 4.5290 8.0821 118.8899 55.9509 38.3908 177.2927 45 Y 4.2969 8.1939 118.1688 60.9925 38.0193 178.0390 46 A 4.1714 8.6262 122.1120 55.6198 18.3079 178.9468 47 Y 4.0924 8.2873 117.4861 60.7493 38.7106 178.3944 48 A 3.9827 7.9458 121.5785 54.9215 18.8381 178.5267 49 H 4.5356 8.6798 112.9393 56.8291 28.5214 177.4841 50 R 3.9855 7.6406 121.6331 59.2171 30.2618 178.1448 51 K 4.0594 7.3336 118.0565 59.1964 31.9195 179.7180 52 R 3.8032 8.0599 118.6222 59.2754 29.9122 178.7820 53 R 4.4900 7.6489 119.8993 59.1859 29.8364 178.0028 54 K 4.0121 7.7500 118.0346 59.2379 32.1566 179.0934 55 R 3.8738 7.9778 117.8459 59.5700 29.9433 178.7409 56 D 4.1196 8.2990 118.9319 57.5769 40.8029 178.9515 57 F 3.2894 7.7561 117.7610 59.7015 38.6807 177.7424 58 R 3.9335 7.6311 118.0113 59.8521 29.9377 179.1766 59 R 3.8340 7.6985 116.9102 58.7929 29.9682 178.6353 60 L 3.7185 7.5877 120.4876 58.0377 41.8451 179.3020 61 W 4.4463 8.0277 118.7515 59.9336 29.1103 178.2547 62 I 3.6625 7.7415 119.9351 64.6405 36.4850 178.1337 63 V 3.4936 7.6245 118.4881 66.2109 31.3175 178.0050 64 R 3.9499 7.5046 116.0143 59.4698 29.8897 178.9410 65 I 3.6731 8.1114 119.5623 64.4978 37.2137 177.8433 66 N 4.4740 8.8480 117.7836 56.9784 38.6296 176.7236 67 A 4.1107 8.7167 120.5593 54.2766 18.7524 179.0878 68 A 4.2421 7.7460 119.5182 55.1129 19.2165 179.4658 69 C 4.6428 8.7918 112.7143 61.0714 29.7094 175.8262 70 R 4.4606 8.1092 122.2421 58.6850 29.6556 177.8434 71 Q 4.1314 7.8005 118.8162 59.4645 29.1768 177.5383 72 H 4.4395 8.1452 115.5886 56.6706 30.1854 175.7739 73 G 4.2061 8.8082 109.9081 44.4989 0.0000 172.2583 74 L 4.4096 7.0708 117.4952 53.8734 43.2794 174.5940 75 N 4.6962 8.2462 117.3058 53.1811 40.4517 175.6970 76 Y 4.2129 9.0145 124.9923 60.9675 38.9789 178.9912 77 S 4.1745 8.3835 114.6313 61.8416 62.8139 176.4808 78 T 3.8463 7.8172 117.7439 66.6787 68.6216 175.4503 79 F 3.9144 8.6103 122.2079 62.1637 39.1786 177.0496 80 I 3.6462 8.1408 118.6996 64.8486 37.0878 177.8743 81 H 4.2816 8.2619 118.7855 59.2412 29.4790 177.5043 82 G 3.4746 8.0441 107.4241 47.6939 0.0000 175.7118 83 L 4.0502 7.8560 121.3033 57.4269 41.5709 179.3232 84 K 3.9254 8.2066 118.5129 59.3335 32.0458 178.6691 85 K 4.0780 7.6638 117.8203 59.2101 32.2881 178.9901 86 A 4.1013 8.5383 120.5170 52.7461 18.5519 177.1898 87 G 3.7324 8.1219 105.1944 47.1640 0.0000 175.0540 88 I 4.3370 7.2585 113.4988 57.9740 37.3452 175.3788 89 E 4.0226 8.4902 128.7484 58.3573 29.5255 177.8575 90 V 3.4449 6.7962 116.1099 66.2186 31.5001 177.2215 91 D 4.5685 7.7671 125.5689 53.0269 39.1772 174.3665 92 R 4.0947 8.0142 120.6642 55.1253 30.0153 178.5108 93 K 3.7616 8.9156 121.9527 59.6084 32.0455 178.6647 94 N 3.1400 7.4355 116.5600 55.8688 38.3451 176.1307 95 L 4.4178 7.8887 119.1149 54.5698 41.8463 178.1711 96 A 4.6619 7.5900 122.4314 52.6318 17.7970 178.6917 97 D 4.4499 7.7271 117.3365 54.6455 38.7200 178.1281 98 L 4.1857 7.9338 122.0075 57.1841 41.3322 178.6511 99 A 3.4562 7.1946 120.0294 54.4384 18.0451 178.2841 100 V 3.9235 7.6154 115.2170 63.6523 32.8387 175.9669 101 R 4.3119 7.5574 119.0844 55.3825 31.3249 175.4988 102 E 4.0521 8.6815 123.9144 56.3013 26.4992 173.1492 103 P 4.3288 0.0000 0.0000 66.1176 31.8434 178.2360 104 Q 4.0686 8.1667 115.9753 59.0677 28.6443 179.0105 105 V 3.5952 7.8242 118.9997 65.9714 31.4710 177.8429 106 F 4.1837 8.2801 119.7059 61.2042 39.2425 176.7412 107 A 3.7780 8.4759 120.8736 55.2289 18.2486 179.3143 108 E 3.8070 8.4552 117.8665 59.0827 29.7609 178.9936 109 L 3.8824 7.6842 119.4492 57.3936 41.5587 179.4953 110 V 2.7687 7.4279 118.4312 65.8876 31.4570 177.8643 111 E 3.8522 8.0330 118.3218 59.4841 29.1597 179.6190 112 R 3.8218 7.9400 117.7527 59.2335 30.1492 179.0155 113 A 3.8441 7.5348 120.1307 54.7421 18.3741 179.5696 114 K 3.6848 8.1344 117.2741 59.8618 31.9756 179.3978 115 A 4.0436 7.8704 119.3890 55.0453 18.3831 179.1417 116 A 4.0094 7.9784 118.7568 55.1261 18.3918 179.5502 117 Q 4.0690 7.9740 117.5080 57.5099 29.3703 176.2476 118 G 3.7579 7.3363 110.5277 46.4521 0.0000 172.6092 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 2 P 0.00 4.37 0.00 2.06 2.11 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 R 8.38 3.79 0.00 1.85 1.82 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 4 A 8.93 4.55 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.35 4.03 0.00 1.75 1.79 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 6 T 8.69 3.93 4.25 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 1.22 0.00 0.00 7 G 7.95 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 8 V 8.44 3.67 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 7.39 3.48 2.19 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 0.93 0.00 0.00 0.95 0.00 0.00 10 R 7.95 3.86 0.00 1.92 1.93 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 11 R 7.97 3.94 0.00 1.96 2.07 0.00 3.15 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 1.63 1.69 0.00 12 R 7.92 3.92 0.00 2.03 1.96 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 13 K 7.98 3.89 0.00 1.93 1.79 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 H 8.37 4.28 0.00 3.45 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.39 3.99 0.00 1.98 2.08 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.45 7.81 16 K 8.22 3.83 0.00 1.89 2.00 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.48 7.81 17 I 7.38 3.73 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.35 0.87 0.00 0.00 18 L 8.07 4.02 0.00 1.69 1.70 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.22 4.07 0.00 1.97 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.70 7.81 20 L 7.17 3.94 0.00 1.96 1.72 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.71 3.97 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 22 K 7.00 3.90 0.00 1.79 1.65 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.47 7.81 23 G 8.67 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 0.00 0.00 0.00 24 Y 6.72 4.79 0.00 3.07 2.94 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 25 W 8.98 4.66 0.00 3.50 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 26 G 8.02 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.59 3.95 0.00 1.77 1.78 0.94 0.76 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 28 R 8.19 3.99 0.00 2.02 2.27 0.00 3.01 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 29 S 8.35 4.84 0.00 4.04 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 30 K 8.17 4.65 0.00 1.69 1.77 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.46 7.81 31 S 7.51 4.36 0.00 3.96 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 *33 R 8.24 4.42 0.00 2.08 2.29 0.00 3.01 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 34 K 7.86 4.02 0.00 1.94 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.63 7.81 35 A 7.92 4.57 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 36 R 7.55 3.49 0.00 1.84 2.01 0.00 3.12 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.18 0.00 37 E 8.24 4.24 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 38 T 7.73 3.77 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 0.52 0.00 0.00 39 L 8.30 4.01 0.00 1.50 1.60 0.87 1.23 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 40 F 8.05 4.36 0.00 3.26 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 41 A 7.88 3.76 1.02 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 42 A 8.03 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.36 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.08 4.53 0.00 3.01 2.99 0.00 0.00 7.12 6.88 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 45 Y 8.19 4.30 0.00 3.19 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 46 A 8.63 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 4.09 0.00 3.13 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 48 A 7.95 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.68 4.54 0.00 3.22 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.64 3.99 0.00 1.95 1.80 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 51 K 7.33 4.06 0.00 1.67 1.74 0.00 1.59 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.25 1.34 7.81 52 R 8.06 3.80 0.00 1.84 1.95 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 1.71 1.80 0.00 53 R 7.65 4.49 0.00 2.05 2.14 0.00 3.24 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 54 K 7.75 4.01 0.00 2.18 1.79 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.55 7.81 55 R 7.98 3.87 0.00 1.78 1.95 0.00 3.09 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 56 D 8.30 4.12 0.00 2.61 2.29 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 57 F 7.76 3.29 0.00 2.36 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 58 R 7.63 3.93 0.00 1.94 2.01 0.00 3.11 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 59 R 7.70 3.83 0.00 1.72 1.84 0.00 3.04 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 60 L 7.59 3.72 0.00 1.33 1.22 0.47 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.03 4.45 0.00 3.66 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.74 3.66 1.87 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 1.65 0.64 0.26 0.00 0.00 63 V 7.62 3.49 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 1.00 0.00 0.00 0.88 0.00 0.00 64 R 7.50 3.95 0.00 2.11 1.99 0.00 3.37 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 65 I 8.11 3.67 2.21 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.89 0.00 0.00 66 N 8.85 4.47 0.00 2.90 2.98 0.00 0.00 7.21 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.72 4.11 1.37 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 68 A 7.75 4.24 1.21 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 0.00 0.00 69 C 8.79 4.64 0.00 3.49 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 70 R 8.11 4.46 0.00 2.11 2.09 0.00 3.15 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 71 Q 7.80 4.13 0.00 2.16 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 72 H 8.15 4.44 0.00 3.41 3.34 0.00 5.72 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 73 G 8.81 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 0.00 0.00 0.00 74 L 7.07 4.41 0.00 1.80 1.73 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.25 4.70 0.00 2.94 2.88 0.00 0.00 6.45 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 76 Y 9.01 4.21 0.00 3.26 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 77 S 8.38 4.17 0.00 4.16 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 0.00 78 T 7.82 3.85 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 1.23 0.00 0.00 79 F 8.61 3.91 0.00 3.13 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 80 I 8.14 3.65 1.52 0.00 0.00 -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 0.77 0.00 0.85 0.00 0.00 81 H 8.26 4.28 0.00 3.32 3.58 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.04 3.47 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 83 L 7.86 4.05 0.00 1.97 1.76 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.21 3.93 0.00 1.79 1.97 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.54 7.81 85 K 7.66 4.08 0.00 1.94 1.76 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.47 7.81 86 A 8.54 4.10 1.28 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 0.00 0.00 87 G 8.12 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 0.00 0.00 0.00 88 I 7.26 4.34 1.87 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 1.29 0.95 0.89 0.00 0.00 89 E 8.49 4.02 0.00 1.95 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 2.29 2.30 0.00 90 V 6.80 3.44 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 0.76 0.00 0.00 0.93 0.00 0.00 91 D 7.77 4.57 0.00 2.78 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 92 R 8.01 4.09 0.00 1.98 2.00 0.00 2.94 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 93 K 8.92 3.76 0.00 1.98 2.14 0.00 1.83 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.67 1.60 7.81 94 N 7.44 3.14 0.00 1.44 2.14 0.00 0.00 7.26 6.66 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 95 L 7.89 4.42 0.00 1.61 1.60 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.59 4.66 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.73 4.45 0.00 2.90 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 98 L 7.93 4.19 0.00 1.92 1.97 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.19 3.46 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 0.00 100 V 7.62 3.92 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 0.81 0.00 0.00 0.89 0.00 0.00 101 R 7.56 4.31 0.00 1.94 1.85 0.00 3.45 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 102 E 8.68 4.05 0.00 2.19 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 2.31 2.27 0.00 103 P 0.00 4.33 0.00 2.20 2.19 0.00 3.64 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 2.14 2.22 0.00 104 Q 8.17 4.07 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 105 V 7.82 3.60 2.30 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 1.04 0.00 0.00 0.96 0.00 0.00 106 F 8.28 4.18 0.00 3.21 3.34 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 0.00 107 A 8.48 3.78 1.44 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 0.00 0.00 0.00 108 E 8.46 3.81 0.00 2.15 1.91 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 2.25 2.31 0.00 109 L 7.68 3.88 0.00 1.68 1.56 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.43 2.77 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 0.74 0.00 0.00 0.38 0.00 0.00 111 E 8.03 3.85 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 112 R 7.94 3.82 0.00 1.92 1.89 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 113 A 7.53 3.84 1.02 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 0.00 114 K 8.13 3.68 0.00 1.76 1.79 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.65 7.81 115 A 7.87 4.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.98 4.01 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 Q 7.97 4.07 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 118 G 7.34 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 * Residues marked with a * may have inaccurate shift predictions.