NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3252 8.1114 123.5832 51.6960 21.8409 177.3035 2 G 3.5301 7.5427 104.5865 46.3387 0.0000 175.4007 3 W 4.4545 9.0121 125.5429 58.3404 30.3539 175.9967 4 Q 4.1591 8.3767 120.0151 59.5435 28.2472 178.6217 5 S 4.1268 8.1302 115.6355 61.5572 62.7513 176.3040 6 Y 3.8085 8.1608 119.5048 60.8154 37.8107 178.1147 7 V 3.7056 8.1672 118.7825 66.4847 31.0706 177.6938 8 D 4.4174 8.5296 118.6815 57.4286 40.3888 178.5290 9 N 4.3439 8.1013 116.2909 56.3056 38.5774 177.1994 10 L 4.1623 7.8546 119.4959 57.4563 42.1108 178.5471 11 M 4.3782 7.8588 116.8976 55.9680 32.1724 177.6563 12 C 4.2771 7.6186 112.8439 60.0814 30.2278 174.0689 13 D 4.5356 8.0971 118.4088 53.1452 39.3146 177.2990 14 G 4.0162 8.0661 108.5907 45.9295 0.0000 173.4661 15 C 4.4013 7.9999 115.4387 58.7059 29.9761 175.1927 *17 Q 4.3376 8.0773 119.1120 57.1116 30.4429 174.4158 18 E 4.8432 7.8676 115.0518 55.8556 33.4971 173.8406 19 A 5.5284 9.0403 120.5529 51.4277 23.2519 175.0077 20 A 5.1515 9.1086 119.5770 50.9937 23.4813 175.4028 21 I 4.7057 8.8372 120.9430 59.4317 40.2234 175.1195 22 V 4.2238 8.3316 126.8039 60.6987 34.5046 175.1577 23 G 3.5890 7.6131 115.2484 45.2627 0.0000 173.3391 24 Y 5.1558 8.0985 116.9203 56.2138 40.8779 175.1168 25 C 4.3775 7.8551 116.9636 60.2084 28.2979 174.7087 26 D 4.3971 9.5622 125.7592 57.7566 41.3257 177.0051 27 A 4.4789 7.6688 123.3260 50.6406 17.6966 176.4096 28 K 4.6337 7.8229 122.9690 52.5483 31.4513 174.6110 29 Y 4.6561 6.8530 120.6582 55.5209 40.4610 174.2578 30 V 4.0158 8.6297 120.5586 62.9843 32.0591 175.2983 31 W 4.9341 8.9905 127.3592 58.8022 30.1564 176.7500 32 A 4.9224 7.8807 118.7212 51.0592 22.0472 175.1319 33 A 5.0559 8.5668 120.4145 50.8228 22.3276 176.3395 34 T 3.9305 8.6850 116.3432 64.0381 69.5596 173.9806 35 A 4.1519 8.6891 129.5861 53.3922 19.0089 177.4564 36 G 3.8617 9.3259 109.7630 45.8832 0.0000 173.9227 37 G 3.9967 7.1364 108.0021 43.9289 0.0000 173.8569 38 V 3.6721 8.6723 118.5033 65.9801 31.8579 179.4168 39 F 4.4106 8.5171 119.0379 60.4718 38.8458 177.3436 40 Q 4.0156 8.1644 120.4130 58.6994 28.8747 176.7496 41 S 4.5957 7.9989 112.5475 58.1329 63.2402 173.9765 42 I 3.9456 7.5370 122.8400 61.8527 37.3839 176.2550 43 T 4.6100 8.5258 115.1695 59.6154 72.1338 174.0999 44 P 4.2628 0.0000 0.0000 65.9445 31.4453 179.1552 45 V 3.7923 7.7679 116.5054 66.0830 31.5209 177.8265 46 E 4.0375 8.3481 118.3852 59.2642 29.2726 179.2390 47 I 3.7365 8.0394 120.1276 64.7178 37.1988 178.1194 48 D 4.4487 8.2804 119.5349 57.5983 40.3728 178.6885 49 M 4.1356 7.7572 117.5959 58.7279 32.3621 178.0031 50 I 3.8760 7.7443 118.9665 63.7511 37.3770 177.8658 51 V 4.4319 7.6651 109.7953 60.1458 32.1456 176.1496 52 G 3.9748 7.5124 108.4322 44.7244 0.0000 174.3751 53 K 3.8603 8.3811 118.3542 58.8234 32.1659 177.2756 54 D 4.3723 7.9103 118.2244 54.1331 40.6009 175.2471 55 R 4.2092 8.3497 124.8633 55.7912 30.7044 176.9102 56 E 4.7312 7.8183 119.0522 57.0775 32.4720 178.3400 57 G 3.6664 8.2664 105.8342 47.7484 0.0000 175.4428 58 F 4.8599 7.2838 116.9004 58.3090 37.8007 177.5960 59 F 4.1787 8.1648 118.6187 61.1102 38.8759 177.3408 60 T 4.1679 8.0736 113.5761 66.2135 68.5220 175.8740 61 N 4.7069 8.7644 116.9552 53.5855 39.3946 176.5396 62 G 3.9114 8.8671 109.9663 44.8627 0.0000 171.7232 63 L 4.5325 8.2690 118.0718 54.9933 43.5966 174.1760 64 T 5.1043 8.2049 108.0020 59.7370 71.3673 173.4702 65 L 4.7114 8.3239 122.1761 54.0046 44.4982 177.1989 66 G 4.0431 10.0541 111.9384 45.8991 0.0000 173.9709 67 A 3.7616 8.5526 120.3509 51.4938 17.6115 178.6078 68 K 4.3847 7.9452 119.0907 55.2124 33.7874 176.2319 69 K 4.7266 8.6652 127.1142 56.8546 33.3296 175.7747 70 C 5.3201 9.3990 121.3342 58.3218 33.1655 172.9952 71 S 4.9732 9.1473 116.6933 57.0029 65.3243 173.5007 72 V 3.9770 8.0566 123.0597 62.1931 31.5653 175.3709 73 I 4.3178 8.7529 129.5420 63.3418 38.2900 176.5241 74 R 4.8707 7.7372 120.6564 55.0015 33.7320 173.2430 75 D 5.1581 9.1729 125.1864 52.9450 42.9759 175.4334 76 S 4.8044 8.9290 122.7001 58.1546 64.5884 176.1839 77 L 3.6791 8.5492 125.9854 57.5228 41.8380 177.8625 78 Y 4.7024 7.7915 113.9675 57.4466 38.5855 175.3445 79 V 4.0512 7.6850 121.7439 61.4389 31.3800 175.2794 80 D 4.6724 8.5321 128.0505 55.8636 41.1249 177.3051 81 G 4.0325 9.2564 111.1604 45.5585 0.0000 172.5898 82 D 4.7344 7.1777 115.9497 52.0141 43.8360 175.1896 83 C 4.2339 8.2381 113.3171 60.6261 26.0457 172.6716 84 T 5.1876 7.4925 106.2413 60.3245 72.3297 172.6816 85 M 5.1394 8.7156 120.5764 53.6950 36.8084 174.0349 86 D 5.3105 8.9603 121.6340 52.7792 43.6228 175.5980 87 I 5.0699 8.9027 123.4884 59.6498 42.1757 174.3288 88 R 5.1931 8.8720 123.7699 54.7746 33.5902 174.7300 89 T 4.3727 8.7804 116.4002 61.8806 69.7661 173.5879 90 K 4.5064 8.4461 122.5585 55.1543 33.5933 176.4730 91 S 4.5804 8.5327 119.0177 57.7933 63.2818 173.8825 92 Q 4.3176 9.3293 126.5723 57.6964 29.1253 177.5073 93 G 4.0576 8.8900 103.9786 45.8537 0.0000 173.3697 94 G 4.0122 8.3965 107.5685 44.4958 0.0000 174.6280 95 E 4.1216 7.6659 117.0085 55.1600 30.2548 175.0914 96 P 4.1612 0.0000 0.0000 63.0026 31.8932 176.1110 97 T 4.2179 7.7244 110.6936 60.1726 71.2033 173.1883 98 Y 4.9196 8.2800 118.7476 56.2459 42.0371 174.9635 99 N 5.0824 8.8773 120.0737 53.0189 40.5931 174.1209 100 V 5.1306 9.0774 121.8469 61.1253 35.0570 174.0485 101 A 5.2300 9.0199 128.5691 50.0607 22.3704 174.9637 102 V 4.3319 8.5443 120.6150 60.7328 34.7211 174.5703 103 G 4.2412 8.6542 114.4943 44.2170 0.0000 171.6380 104 R 4.6614 8.6078 124.3853 54.5045 31.5995 175.2034 105 A 4.6234 8.5218 133.0038 51.1443 21.1510 176.3804 106 G 3.7973 8.6786 102.7460 48.1433 0.0000 174.7335 107 R 4.2413 8.4444 117.2674 55.6544 33.2551 176.2552 108 V 4.5888 7.6388 110.5139 59.3685 36.4536 174.1722 109 L 4.8747 8.7817 122.4381 53.0606 44.4220 175.6503 110 V 4.5469 8.4131 123.3649 61.3416 33.4499 174.3180 111 F 5.0035 9.0775 126.9210 55.7002 41.8200 175.0565 112 V 5.1682 8.8011 115.2582 59.9300 35.9957 173.9683 113 M 5.2708 9.3002 124.1763 53.6002 34.7320 175.3220 114 G 3.9600 9.0894 113.9413 45.7925 0.0000 173.2849 115 K 4.3408 8.8340 121.7365 55.5107 33.7528 176.1825 116 E 4.2432 8.8258 122.2071 58.2701 29.6982 177.1764 117 G 3.9573 9.0537 114.1840 45.1829 0.0000 173.1415 118 V 3.9625 7.4548 120.2408 62.2092 31.8053 176.1675 119 H 4.6815 8.7370 124.4464 55.4132 30.8093 176.6933 120 G 3.6208 8.6725 109.4634 47.6438 0.0000 176.2962 121 G 3.8035 8.2217 107.8340 47.9597 0.0000 175.9004 122 G 3.6922 8.0660 107.8024 47.1539 0.0000 175.7634 123 L 4.0508 7.5319 121.1581 57.6334 41.6553 178.9180 124 N 4.2680 8.6550 117.4927 56.6174 38.8153 176.7399 125 K 4.0304 8.1136 121.0228 59.2904 32.2361 178.6714 126 K 3.9290 8.0746 119.6695 59.5104 32.1543 178.7231 127 A 3.9530 8.2263 121.1841 55.1586 18.2152 178.6469 128 Y 3.9800 8.4971 118.4864 61.1543 38.7373 178.8265 129 S 4.0586 8.4013 115.8151 61.8751 62.9236 176.4863 130 M 4.0913 8.2364 120.6547 58.5864 32.0088 178.0489 131 A 3.9468 8.1549 121.1232 54.8818 18.4846 179.5255 132 K 3.6932 8.0552 118.4756 59.6523 32.3466 178.1911 133 Y 4.0186 8.1826 119.9630 60.8834 38.6511 178.3052 134 L 4.0890 8.3807 119.8747 57.7453 41.7741 179.3458 135 R 3.9104 8.4461 119.0282 59.7944 29.8394 178.3677 136 D 4.4423 8.3555 117.0505 56.6052 40.8007 177.8382 137 S 4.5869 7.5135 113.4695 58.0956 63.1082 174.8266 138 G 3.9346 8.2193 110.2693 45.2483 0.0000 173.9758 139 F 4.2403 8.8660 124.7808 57.3498 39.3241 175.2994 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 A 8.11 4.33 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 2 G 7.54 3.53 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 0.00 3 W 9.01 4.45 0.00 3.60 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 4 Q 8.38 4.16 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 5 S 8.13 4.13 0.00 3.83 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 6 Y 8.16 3.81 0.00 3.57 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 7 V 8.17 3.71 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 1.20 0.00 0.00 1.10 0.00 0.00 8 D 8.53 4.42 0.00 2.88 2.69 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 9 N 8.10 4.34 0.00 2.69 2.78 0.00 0.00 7.08 7.39 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 10 L 7.85 4.16 0.00 1.87 1.80 1.02 1.01 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 11 M 7.86 4.38 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 12 C 7.62 4.28 0.00 3.10 3.17 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 0.00 0.00 0.00 13 D 8.10 4.54 0.00 2.79 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 14 G 8.07 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 15 C 8.00 4.40 0.00 3.17 3.17 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 0.00 0.00 0.00 *17 Q 8.08 4.34 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 18 E 7.87 4.84 0.00 2.02 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 1.86 1.61 0.00 19 A 9.04 5.53 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 20 A 9.11 5.15 1.18 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 0.00 0.00 0.00 21 I 8.84 4.71 1.84 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 1.27 1.42 0.15 0.00 0.00 22 V 8.33 4.22 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 0.87 0.00 0.00 0.67 0.00 0.00 23 G 7.61 3.59 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 0.00 0.00 0.00 24 Y 8.10 5.16 0.00 3.02 2.83 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 25 C 7.86 4.38 0.00 2.75 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 0.00 0.00 0.00 0.00 26 D 9.56 4.40 0.00 2.67 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 27 A 7.67 4.48 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.82 4.63 0.00 1.95 1.84 0.00 1.85 0.00 0.00 1.39 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.44 7.81 29 Y 6.85 4.66 0.00 3.21 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 30 V 8.63 4.02 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 0.88 0.00 0.00 1.02 0.00 0.00 31 W 8.99 4.93 0.00 3.00 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 32 A 7.88 4.92 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 33 A 8.57 5.06 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 34 T 8.68 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 1.20 0.00 0.00 35 A 8.69 4.15 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 36 G 9.33 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 37 G 7.14 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 0.00 0.00 0.00 38 V 8.67 3.67 1.84 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 0.94 0.00 0.00 0.81 0.00 0.00 39 F 8.52 4.41 0.00 3.03 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 40 Q 8.16 4.02 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 41 S 8.00 4.60 0.00 4.09 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 42 I 7.54 3.95 1.77 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.42 0.75 0.00 0.00 43 T 8.53 4.61 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 1.29 0.00 0.00 44 P 0.00 4.26 0.00 2.23 2.24 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 45 V 7.77 3.79 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 1.10 0.00 0.00 0.96 0.00 0.00 46 E 8.35 4.04 0.00 2.23 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 0.00 2.43 2.37 0.00 47 I 8.04 3.74 2.07 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 1.53 0.98 0.97 0.00 0.00 48 D 8.28 4.45 0.00 2.92 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 49 M 7.76 4.14 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.75 0.00 50 I 7.74 3.88 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 0.73 0.00 0.00 51 V 7.67 4.43 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 0.34 0.00 0.00 1.05 0.00 0.00 52 G 7.51 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 0.00 0.00 0.00 53 K 8.38 3.86 0.00 1.71 1.82 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.37 7.81 54 D 7.91 4.37 0.00 2.56 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 55 R 8.35 4.21 0.00 1.88 2.24 0.00 3.52 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 56 E 7.82 4.73 0.00 1.90 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 2.28 2.19 0.00 57 G 8.27 3.67 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 0.00 0.00 0.00 58 F 7.28 4.86 0.00 3.07 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 59 F 8.16 4.18 0.00 3.36 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 60 T 8.07 4.17 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 1.25 0.00 0.00 61 N 8.76 4.71 0.00 2.79 2.91 0.00 0.00 7.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.87 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 63 L 8.27 4.53 0.00 1.86 1.82 0.90 0.41 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 64 T 8.20 5.10 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 1.23 0.00 0.00 65 L 8.32 4.71 0.00 1.77 1.63 1.16 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 G 10.05 4.04 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 0.00 0.00 0.00 67 A 8.55 3.76 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 68 K 7.95 4.38 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 69 K 8.67 4.73 0.00 1.77 1.73 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.48 7.81 70 C 9.40 5.32 0.00 2.87 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 71 S 9.15 4.97 0.00 3.70 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 72 V 8.06 3.98 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 -0.02 0.00 0.00 0.24 0.00 0.00 73 I 8.75 4.32 1.98 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 1.10 0.97 0.94 0.00 0.00 74 R 7.74 4.87 0.00 1.91 1.91 0.00 3.15 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 75 D 9.17 5.16 0.00 2.79 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 76 S 8.93 4.80 0.00 4.01 3.80 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 0.00 0.00 0.00 0.00 77 L 8.55 3.68 0.00 1.68 1.30 0.65 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.79 4.70 0.00 3.05 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 79 V 7.68 4.05 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 80 D 8.53 4.67 0.00 2.75 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 81 G 9.26 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 0.00 0.00 0.00 82 D 7.18 4.73 0.00 2.63 2.69 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 83 C 8.24 4.23 0.00 3.13 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 84 T 7.49 5.19 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 1.39 0.00 0.00 85 M 8.72 5.14 0.00 1.69 1.68 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 86 D 8.96 5.31 0.00 2.54 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 0.00 0.00 0.00 0.00 87 I 8.90 5.07 1.86 0.00 0.00 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 0.90 0.48 0.97 0.00 0.00 88 R 8.87 5.19 0.00 1.82 1.69 0.00 3.08 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 89 T 8.78 4.37 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 1.33 0.00 0.00 90 K 8.45 4.51 0.00 1.76 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 91 S 8.53 4.58 0.00 3.79 3.72 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 0.00 0.00 0.00 92 Q 9.33 4.32 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 93 G 8.89 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 0.00 0.00 0.00 94 G 8.40 4.01 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 0.00 0.00 0.00 95 E 7.67 4.12 0.00 2.08 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 2.24 2.28 0.00 96 P 0.00 4.16 0.00 1.69 1.82 0.00 3.62 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 2.02 2.10 0.00 97 T 7.72 4.22 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 1.17 0.00 0.00 98 Y 8.28 4.92 0.00 2.90 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 99 N 8.88 5.08 0.00 2.72 2.77 0.00 0.00 6.48 7.68 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 0.00 100 V 9.08 5.13 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 1.28 0.00 0.00 1.18 0.00 0.00 101 A 9.02 5.23 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 0.00 102 V 8.54 4.33 1.66 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 0.17 0.00 0.00 0.35 0.00 0.00 103 G 8.65 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 0.00 0.00 0.00 0.00 104 R 8.61 4.66 0.00 1.36 1.51 0.00 2.72 0.00 0.00 2.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.91 0.00 105 A 8.52 4.62 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 0.00 106 G 8.68 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.44 4.24 0.00 1.85 1.89 0.00 2.76 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 108 V 7.64 4.59 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 -0.41 0.00 0.00 0.83 0.00 0.00 109 L 8.78 4.87 0.00 1.54 1.10 0.83 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.41 4.55 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 1.04 0.00 0.00 0.89 0.00 0.00 111 F 9.08 5.00 0.00 2.24 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 0.00 112 V 8.80 5.17 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 0.77 0.00 0.00 1.03 0.00 0.00 113 M 9.30 5.27 0.00 1.82 1.65 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 114 G 9.09 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 0.00 115 K 8.83 4.34 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.50 7.81 116 E 8.83 4.24 0.00 2.17 1.98 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 2.33 2.32 0.00 117 G 9.05 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 0.00 118 V 7.45 3.96 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 0.84 0.00 0.00 1.00 0.00 0.00 119 H 8.74 4.68 0.00 3.22 3.20 0.00 5.69 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 0.00 120 G 8.67 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.07 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 0.00 0.00 0.00 123 L 7.53 4.05 0.00 1.73 1.77 1.02 0.54 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 0.00 124 N 8.65 4.27 0.00 2.93 2.97 0.00 0.00 6.86 6.67 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 0.00 125 K 8.11 4.03 0.00 1.89 1.99 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.52 7.81 126 K 8.07 3.93 0.00 2.01 2.03 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 127 A 8.23 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 3.98 0.00 3.06 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 0.00 129 S 8.40 4.06 0.00 4.18 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 0.00 130 M 8.24 4.09 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.72 0.00 131 A 8.15 3.95 1.26 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 0.00 0.00 0.00 132 K 8.06 3.69 0.00 1.23 1.75 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.36 7.81 133 Y 8.18 4.02 0.00 3.21 3.20 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 0.00 134 L 8.38 4.09 0.00 1.95 1.87 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.45 3.91 0.00 1.90 2.02 0.00 3.07 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 0.00 136 D 8.36 4.44 0.00 2.70 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 0.00 137 S 7.51 4.59 0.00 4.01 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 0.00 138 G 8.22 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 0.00 139 F 8.87 4.24 0.00 3.31 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 * Residues marked with a * may have inaccurate shift predictions.