NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0721 8.0549 120.3082 61.3768 32.7277 174.9423 2 L 4.3556 8.2662 123.8252 53.6092 42.9629 175.8073 3 S 4.4818 9.6085 120.2117 57.6763 65.9450 175.3017 4 A 3.9726 8.5055 124.6193 55.5193 18.0473 179.9340 5 A 3.9240 7.9501 118.6594 55.3898 18.4746 179.4444 6 D 4.5860 7.8094 118.2610 57.0254 40.9860 179.0214 7 K 4.0899 8.3399 119.2214 59.0256 31.9697 179.7682 8 G 3.5668 8.2722 106.2649 47.8737 0.0000 175.3977 9 N 4.2969 8.0287 119.4896 55.9074 38.5590 177.6832 10 V 3.4670 7.6699 119.3659 66.0178 31.5063 178.1690 11 K 3.9264 8.0598 117.9667 59.3996 31.7014 179.2752 12 A 3.9949 8.3096 120.9152 55.0260 18.2911 179.4462 13 A 4.0238 8.1877 119.4291 55.2492 18.6352 179.6451 14 W 4.2673 8.5436 126.6071 59.9936 30.5564 178.4672 15 G 3.7087 7.8447 104.9287 47.0828 0.0000 175.1569 16 K 4.2791 7.4879 119.5813 58.1840 32.8584 178.9980 17 V 3.7040 7.5218 118.7850 64.5130 31.5828 176.8465 18 G 3.6438 8.0096 106.0760 46.8531 0.0000 176.1642 19 G 3.5548 8.3269 113.2758 47.2181 0.0000 173.7075 20 H 4.2837 7.6700 116.4373 55.6966 28.4486 176.6435 21 A 3.6620 7.1599 123.9599 55.2867 18.1327 180.2295 22 A 4.0119 7.7681 118.5881 55.3111 18.5437 179.5453 23 E 3.8445 7.8185 116.6427 59.6363 29.4919 178.8119 24 Y 4.6035 7.7116 116.6561 60.2308 37.8495 178.1233 25 G 3.7283 8.6390 107.1491 47.9776 0.0000 175.6155 26 A 4.1551 8.2274 123.9454 54.7019 18.4004 179.3714 27 E 3.9586 8.2070 117.2244 59.1118 29.6670 178.8508 28 A 3.9916 8.4514 121.4609 55.1112 18.3712 179.7007 29 L 3.4753 7.5441 116.0661 57.6865 41.3811 178.9030 30 E 4.0621 8.0147 118.9653 59.9050 29.3576 179.3935 31 R 3.9926 8.1010 117.6553 59.1697 30.0396 178.7459 32 M 4.0869 7.7421 118.0985 58.7810 32.3145 178.3851 33 F 4.4349 7.9486 118.2331 60.4603 38.7973 177.8186 34 L 4.1467 7.5010 116.6148 57.9511 41.6166 179.3768 35 S 4.2233 8.0780 114.1365 59.7967 63.6627 174.4043 36 F 4.8561 8.1250 121.5314 54.0230 39.8945 173.4234 37 P 4.6524 0.0000 0.0000 64.9511 31.2805 178.1759 38 T 4.0732 8.1523 108.3397 64.6868 68.4209 175.6193 39 T 4.5340 7.8363 109.9208 62.9342 69.3053 175.9411 40 K 4.4521 8.4306 122.2991 58.8787 32.0579 178.7555 41 T 4.0258 7.8566 108.5797 64.0708 68.9335 175.0759 42 Y 4.0741 8.0713 117.9668 59.0345 39.0903 175.3105 43 F 4.9132 8.1000 118.6144 55.3650 39.1964 173.9342 44 P 4.5275 0.0000 0.0000 64.9270 32.1844 177.7739 45 H 4.6920 8.3802 112.5492 55.9409 29.3438 175.3330 46 F 4.2907 7.6073 118.1138 56.8812 39.5877 174.4541 47 D 4.5868 8.6765 123.4585 53.7199 41.2510 176.2007 48 L 4.5419 8.2966 125.0786 54.1480 42.8779 176.7003 49 S 4.2007 7.9515 115.5161 57.8765 63.5332 173.1385 *50 H 4.0691 8.7410 120.3538 58.5703 28.3576 175.1421 51 G 3.8920 9.0135 112.5992 45.7510 0.0000 173.2709 52 S 4.1212 7.8118 112.8320 58.6411 64.1397 175.0211 53 A 4.1237 8.5209 129.1395 54.8752 18.3294 180.0126 54 Q 3.8220 7.7923 118.6580 59.3708 29.1597 178.4873 55 V 3.8237 7.8061 118.8338 66.0749 31.1657 178.0130 56 K 4.3304 7.9840 117.3389 59.2219 31.6429 179.5137 57 G 3.4331 7.9156 105.1731 47.3624 0.0000 174.8273 58 H 4.7121 8.4249 120.4972 58.6013 30.2684 177.3180 59 G 3.7485 8.7848 107.8674 47.8908 0.0000 175.4748 60 A 4.1223 7.7046 122.4806 54.6565 18.3516 180.0035 61 K 3.9219 7.9710 117.3786 59.6154 32.1769 179.5962 62 V 3.5955 7.8011 117.7579 66.1720 31.4650 177.8255 63 A 4.3298 8.1212 119.7110 54.9998 17.7669 179.3967 64 A 4.1402 8.2856 119.1766 54.8096 18.2649 179.6027 65 A 3.9622 7.9567 119.6129 55.0987 18.6101 179.7988 66 L 3.9811 8.2046 117.4912 57.9060 41.4151 179.4881 67 T 3.8073 7.7052 112.1456 64.4489 67.6188 176.1427 68 K 4.1390 7.7452 121.5594 59.4024 31.8213 178.5670 69 A 4.0995 7.8339 121.1135 55.2880 17.9884 179.8292 70 V 3.3890 7.2722 116.0398 66.0927 31.6326 177.9530 71 E 4.0602 7.8173 116.8646 58.2169 30.5887 176.8607 72 H 5.0217 7.5818 113.8547 54.5927 29.1109 174.6229 73 L 4.1660 7.7157 118.7379 57.1500 42.3100 178.4763 74 D 4.6628 7.9695 116.2644 55.0880 41.3467 176.5889 75 D 4.7561 7.6373 118.8363 51.9696 42.1685 175.2449 76 L 4.0613 7.9786 123.6529 56.7360 41.9543 176.8892 77 P 4.2074 0.0000 0.0000 65.4994 31.4090 178.5895 78 G 3.9236 8.5570 104.4091 46.5545 0.0000 175.3661 79 A 4.1860 7.6761 121.8631 53.6461 18.3338 178.0890 80 L 4.7945 7.8143 117.2892 54.6834 42.6765 179.3413 81 S 4.8999 8.1618 116.6757 61.0873 62.9168 176.4853 82 E 4.1493 8.1474 120.4099 58.3060 29.9365 177.9909 83 L 3.9950 7.8647 117.8539 56.7264 41.9333 178.7207 84 S 4.3698 7.8289 113.7874 60.7978 62.6050 175.8849 85 D 4.3056 7.6762 120.2892 56.9947 40.8059 177.3588 86 L 4.2070 7.5162 120.5497 57.9619 42.3469 178.3583 87 H 4.1043 8.6427 115.9055 57.7036 28.5521 176.8743 88 A 4.3934 7.7058 120.5336 54.1394 20.0479 178.1078 89 H 4.3597 8.0989 114.2186 58.5164 30.2903 176.6347 90 K 4.1525 7.4819 118.0479 58.6768 32.4578 178.2550 91 L 4.0948 8.7946 119.5999 55.6150 42.2630 177.4500 92 R 4.1828 7.9458 115.2834 56.0266 27.3587 176.8606 93 V 3.8053 8.0023 117.1545 62.3475 32.3710 174.9915 94 D 4.5089 8.8311 126.9702 54.1395 41.2445 175.5894 95 P 4.4826 0.0000 0.0000 65.2426 32.0005 178.9341 96 V 3.7282 8.0941 111.8803 64.0543 31.1782 178.1765 97 N 4.3687 8.0328 116.9221 56.1415 38.4518 177.2738 98 F 3.8739 8.0949 118.6768 60.4550 38.9065 177.8787 99 K 4.0696 7.8080 116.9305 59.2626 31.8105 179.4407 100 L 3.7628 7.5156 118.9584 57.3055 41.6024 179.0657 101 L 3.8686 8.0123 120.5291 58.3237 42.0833 179.1842 102 S 4.2349 7.9231 114.7540 61.8253 62.7299 176.2567 103 H 4.2847 8.3301 120.9745 59.5219 29.4046 177.6361 104 S 4.1333 8.3305 116.9116 61.0665 62.5785 176.5557 105 L 4.0082 8.4117 123.7175 58.1801 41.9606 178.8497 106 L 4.1016 8.4230 119.3723 57.7927 41.5747 179.7918 107 V 3.3939 7.7582 118.1871 66.1012 31.0007 178.1678 108 T 3.7025 7.4262 115.2018 66.7676 68.3296 176.6907 109 L 3.6457 7.8119 120.3414 57.3300 41.3026 179.4912 110 A 3.1232 6.7228 120.1136 54.5731 18.2364 179.5075 111 S 4.0239 7.4183 111.8736 61.6851 63.1831 175.9324 112 H 4.4386 7.3993 117.8361 56.1536 30.4610 175.7362 113 L 4.8021 7.4609 120.3035 52.5936 41.3177 175.4140 114 P 4.4547 0.0000 0.0000 64.8769 32.2821 178.6712 115 S 4.4090 8.0210 114.0403 59.9942 63.1456 174.2175 116 D 4.8699 8.0506 116.8557 53.9174 42.7825 176.3946 117 F 4.5145 7.8628 123.8401 57.0053 37.9206 175.5853 118 T 4.3161 7.2089 114.7667 60.3092 71.9452 173.7380 119 P 4.2691 0.0000 0.0000 66.0328 30.7888 178.8111 120 A 3.9802 7.8615 119.0196 54.9862 18.3235 179.6301 121 V 3.3392 7.1023 116.3428 65.8403 31.6237 177.5340 122 H 3.6390 8.2273 118.3547 59.2503 29.6165 176.9346 123 A 3.9570 7.7500 121.7761 55.3693 18.1933 179.8415 124 S 4.1158 7.5912 113.2990 61.7784 62.8246 176.9852 125 L 4.2740 8.1972 121.7935 57.6161 41.2297 178.9560 126 D 4.3935 8.2058 118.2008 57.3512 41.1764 178.5669 127 K 4.0052 8.2152 119.0263 59.2133 32.0470 179.0608 128 F 4.2299 8.4020 121.0987 61.5610 39.3604 177.3074 129 L 3.4676 8.1783 118.4354 57.3395 41.1080 179.0497 130 A 4.2401 7.7996 120.1183 54.1269 18.1716 179.0306 131 N 4.3011 7.6796 114.8880 55.5561 38.9135 177.7401 132 V 3.4301 7.3421 119.7218 66.0117 31.3712 178.2118 133 S 3.8777 8.0925 114.1130 61.8776 62.6457 176.5866 134 T 3.9027 7.3753 119.3736 65.8482 68.0185 176.9021 135 V 3.5310 7.3662 120.1626 66.0518 31.4346 177.9329 136 L 4.2484 7.8755 117.7543 56.0442 41.2846 178.2999 137 T 4.1991 7.3470 108.8483 61.0842 69.6522 174.3324 138 S 4.5973 7.2233 118.4666 57.2115 64.0122 174.0329 139 K 4.2862 8.5532 124.8896 55.6576 31.6321 175.8508 140 Y 4.7908 7.8031 120.3578 56.2326 39.2832 176.0719 141 R 4.0611 7.5705 124.6664 56.6699 30.2940 176.1108 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 V 8.05 4.07 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 0.90 0.00 0.00 0.92 0.00 0.00 2 L 8.27 4.36 0.00 1.75 1.64 0.99 0.71 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 3 S 9.61 4.48 0.00 3.90 3.77 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 4 A 8.51 3.97 1.31 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 5 A 7.95 3.92 1.31 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 6 D 7.81 4.59 0.00 2.97 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 7 K 8.34 4.09 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.55 7.81 8 G 8.27 3.57 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 0.00 0.00 0.00 0.00 9 N 8.03 4.30 0.00 2.98 2.86 0.00 0.00 6.72 7.75 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 10 V 7.67 3.47 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 0.23 0.00 0.00 0.86 0.00 0.00 11 K 8.06 3.93 0.00 2.04 1.84 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 A 8.31 3.99 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 13 A 8.19 4.02 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 14 W 8.54 4.27 0.00 3.49 3.08 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 0.00 0.00 0.00 15 G 7.84 3.71 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 0.00 0.00 0.00 16 K 7.49 4.28 0.00 1.92 1.90 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.60 7.81 17 V 7.52 3.70 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 0.43 0.00 0.00 0.78 0.00 0.00 18 G 8.01 3.64 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 0.00 0.00 0.00 19 G 8.33 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 0.00 0.00 0.00 20 H 7.67 4.28 0.00 2.58 2.26 0.00 5.64 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 21 A 7.16 3.66 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 22 A 7.77 4.01 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 23 E 7.82 3.84 0.00 1.75 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 2.33 2.27 0.00 24 Y 7.71 4.60 0.00 2.95 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 25 G 8.64 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 26 A 8.23 4.16 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 27 E 8.21 3.96 0.00 2.37 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 0.00 2.34 2.37 0.00 28 A 8.45 3.99 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 29 L 7.54 3.48 0.00 1.77 1.30 0.99 0.74 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 30 E 8.01 4.06 0.00 2.34 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 2.36 2.46 0.00 31 R 8.10 3.99 0.00 2.05 1.91 0.00 3.13 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 32 M 7.74 4.09 0.00 1.62 1.95 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 33 F 7.95 4.43 0.00 3.11 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 34 L 7.50 4.15 0.00 1.77 1.70 0.96 0.89 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 35 S 8.08 4.22 0.00 3.15 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 36 F 8.13 4.86 0.00 3.04 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 37 P 0.00 4.65 0.00 2.23 2.18 0.00 3.99 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 38 T 8.15 4.07 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 1.28 0.00 0.00 39 T 7.84 4.53 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 1.28 0.00 0.00 40 K 8.43 4.45 0.00 2.12 1.94 0.00 1.86 0.00 0.00 2.03 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.72 7.81 41 T 7.86 4.03 4.11 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 1.26 0.00 0.00 42 Y 8.07 4.07 0.00 2.77 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 0.00 0.00 0.00 43 F 8.10 4.91 0.00 3.01 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 44 P 0.00 4.53 0.00 2.23 2.21 0.00 3.93 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 2.07 1.96 0.00 45 H 8.38 4.69 0.00 3.34 3.50 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.61 4.29 0.00 3.17 2.90 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 0.00 0.00 0.00 47 D 8.68 4.59 0.00 2.56 2.51 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 48 L 8.30 4.54 0.00 1.52 1.41 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.95 4.20 0.00 3.95 3.97 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 *50 H 8.74 4.07 0.00 2.90 3.12 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.01 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 52 S 7.81 4.12 0.00 4.06 3.78 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 53 A 8.52 4.12 1.31 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 54 Q 7.79 3.82 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 55 V 7.81 3.82 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 1.09 0.00 0.00 1.02 0.00 0.00 56 K 7.98 4.33 0.00 2.08 1.86 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 57 G 7.92 3.43 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 0.00 58 H 8.42 4.71 0.00 3.68 3.65 0.00 5.80 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 59 G 8.78 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 0.00 0.00 0.00 60 A 7.70 4.12 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 61 K 7.97 3.92 0.00 2.02 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.49 7.81 62 V 7.80 3.60 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 1.08 0.00 0.00 1.05 0.00 0.00 63 A 8.12 4.33 1.57 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 0.00 0.00 0.00 64 A 8.29 4.14 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 65 A 7.96 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.98 0.00 1.73 1.40 1.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.71 3.81 4.83 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 1.40 0.00 0.00 68 K 7.75 4.14 0.00 1.75 1.98 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.56 7.81 69 A 7.83 4.10 1.48 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 0.00 0.00 70 V 7.27 3.39 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 0.72 0.00 0.00 0.20 0.00 0.00 71 E 7.82 4.06 0.00 1.95 1.72 0.00 0.00 0.00 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 2.47 0.00 72 H 7.58 5.02 0.00 3.25 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.72 4.17 0.00 1.62 1.73 0.83 1.12 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 74 D 7.97 4.66 0.00 2.67 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 75 D 7.64 4.76 0.00 2.65 2.49 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 76 L 7.98 4.06 0.00 1.68 1.66 0.91 1.16 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 77 P 0.00 4.21 0.00 1.86 1.57 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 78 G 8.56 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 79 A 7.68 4.19 1.33 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 0.00 0.00 0.00 80 L 7.81 4.79 0.00 1.83 1.70 0.91 0.84 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 81 S 8.16 4.90 0.00 3.92 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 82 E 8.15 4.15 0.00 2.02 1.96 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 2.39 2.34 0.00 83 L 7.86 4.00 0.00 1.82 1.81 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.83 4.37 0.00 3.99 3.84 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 85 D 7.68 4.31 0.00 2.90 2.74 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 86 L 7.52 4.21 0.00 1.68 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.64 4.10 0.00 3.62 3.59 0.00 5.83 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 88 A 7.71 4.39 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 89 H 8.10 4.36 0.00 3.10 3.49 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.48 4.15 0.00 2.07 1.79 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.60 7.81 91 L 8.79 4.09 0.00 1.63 1.77 0.78 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.95 4.18 0.00 2.00 2.04 0.00 3.27 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 93 V 8.00 3.81 2.34 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 0.35 0.00 0.00 0.74 0.00 0.00 94 D 8.83 4.51 0.00 2.93 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 95 P 0.00 4.48 0.00 2.20 1.97 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 96 V 8.09 3.73 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 1.03 0.00 0.00 1.02 0.00 0.00 97 N 8.03 4.37 0.00 2.59 2.64 0.00 0.00 6.85 7.98 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 98 F 8.09 3.87 0.00 3.31 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 99 K 7.81 4.07 0.00 1.97 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 100 L 7.52 3.76 0.00 1.53 1.03 0.57 -0.54 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 0.00 101 L 8.01 3.87 0.00 1.56 1.50 0.81 1.08 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 0.00 102 S 7.92 4.23 0.00 3.98 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 0.00 103 H 8.33 4.28 0.00 3.33 3.59 0.00 5.78 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 0.00 104 S 8.33 4.13 0.00 4.12 4.03 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 0.00 105 L 8.41 4.01 0.00 1.89 1.84 1.04 0.86 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 0.00 106 L 8.42 4.10 0.00 1.97 1.85 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.76 3.39 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 0.92 0.00 0.00 0.82 0.00 0.00 108 T 7.43 3.70 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 1.15 0.00 0.00 109 L 7.81 3.65 0.00 1.54 1.70 1.24 0.73 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 0.00 110 A 6.72 3.12 0.63 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 0.00 0.00 111 S 7.42 4.02 0.00 3.87 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 0.00 112 H 7.40 4.44 0.00 2.66 3.24 0.00 5.59 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.46 4.80 0.00 1.88 1.61 0.94 1.07 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 0.00 114 P 0.00 4.45 0.00 2.18 2.15 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 115 S 8.02 4.41 0.00 3.90 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 0.00 116 D 8.05 4.87 0.00 2.69 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 0.00 117 F 7.86 4.51 0.00 3.15 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 0.00 118 T 7.21 4.32 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 1.22 0.00 0.00 119 P 0.00 4.27 0.00 2.15 2.16 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 120 A 7.86 3.98 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 0.00 121 V 7.10 3.34 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 0.92 0.00 0.00 0.93 0.00 0.00 122 H 8.23 3.64 0.00 2.85 3.28 0.00 5.66 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 0.00 123 A 7.75 3.96 1.30 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 0.00 0.00 124 S 7.59 4.12 0.00 3.85 4.07 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 0.00 125 L 8.20 4.27 0.00 1.81 1.93 1.12 0.92 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 0.00 126 D 8.21 4.39 0.00 3.04 2.86 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 0.00 127 K 8.22 4.01 0.00 2.06 1.87 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 128 F 8.40 4.23 0.00 3.08 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 0.00 129 L 8.18 3.47 0.00 1.69 1.61 1.03 1.05 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 0.00 130 A 7.80 4.24 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 0.00 131 N 7.68 4.30 0.00 2.91 2.79 0.00 0.00 6.46 8.42 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 0.00 132 V 7.34 3.43 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 0.91 0.00 0.00 0.36 0.00 0.00 133 S 8.09 3.88 0.00 3.74 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 0.00 134 T 7.38 3.90 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 1.11 0.00 0.00 135 V 7.37 3.53 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 1.09 0.00 0.00 0.84 0.00 0.00 136 L 7.88 4.25 0.00 1.48 1.79 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.35 4.20 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 0.53 0.00 0.00 138 S 7.22 4.60 0.00 3.93 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 0.00 139 K 8.55 4.29 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 140 Y 7.80 4.79 0.00 3.04 3.08 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 0.00 0.00 0.00 141 R 7.57 4.06 0.00 1.61 1.75 0.00 3.02 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 0.00 * Residues marked with a * may have inaccurate shift predictions.