NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3438 8.2493 123.5832 52.5095 19.9469 176.4223 2 T 4.5017 8.2316 110.6642 60.9214 70.8140 172.6657 3 K 5.3620 8.3455 122.9377 54.8219 37.2315 176.1716 4 A 5.4168 9.0885 123.9499 50.9752 23.4129 175.1377 5 V 4.9799 8.7939 117.3375 60.9241 35.4415 173.3778 6 C 4.9266 9.1481 122.1044 58.1250 35.5863 172.5962 7 V 4.5685 8.4939 126.1608 61.5598 32.9940 174.1412 8 L 4.9352 8.8364 129.3485 53.6928 43.3321 176.0811 9 K 5.0744 8.7466 122.6234 54.8953 36.5592 175.5358 10 G 4.8293 8.2783 108.2830 46.3360 0.0000 172.4663 11 D 4.8403 8.9579 120.7125 53.2453 41.1734 177.5639 12 G 4.8496 8.0836 122.9380 46.5461 0.0000 170.7223 13 P 4.5105 0.0000 0.0000 61.6359 32.6223 175.0355 14 V 4.4675 8.3626 122.1034 62.0518 33.0080 174.6275 15 Q 5.0341 8.9744 126.4759 54.3207 32.8731 174.5838 16 G 4.4627 8.9621 108.8602 45.1479 0.0000 171.7534 17 I 5.1411 8.6273 121.0568 59.4517 41.1567 174.5235 18 I 4.6744 8.8397 128.0511 59.3947 40.4494 174.3316 19 N 4.9060 8.5328 124.6861 51.2359 41.2106 173.8000 20 F 5.2789 9.0553 120.8685 55.6907 42.7384 174.0008 21 E 5.2304 9.7600 123.5214 54.7473 32.8846 173.6798 22 Q 4.8119 9.6711 128.1998 54.3006 31.2730 175.6823 23 K 4.0323 9.1284 127.3006 59.0207 32.5825 177.2394 24 E 4.8169 7.7449 114.3892 54.2221 32.5377 176.2157 25 S 4.1396 8.7272 114.9880 60.9494 63.2461 174.6457 26 N 4.6734 8.2029 116.5044 52.4008 37.3275 174.2754 27 G 4.1265 7.6839 108.4241 42.9801 0.0000 171.3792 28 P 4.6882 0.0000 0.0000 62.6374 32.6556 175.7896 29 V 4.6214 8.8183 121.1900 61.2943 33.4856 174.7767 30 K 4.8259 9.1605 128.2542 55.9937 33.7621 176.0357 31 V 4.7725 9.2546 125.0300 60.7999 34.1216 174.2566 32 W 5.6147 8.9292 124.4566 54.4471 31.8917 175.6120 33 G 3.8993 7.4560 107.0539 46.3224 0.0000 170.9523 34 S 5.0916 7.8012 114.9808 57.0004 66.6574 174.3371 35 I 5.2244 8.7771 125.8298 59.4174 40.9939 174.5758 36 K 4.8366 9.2398 125.3837 55.6032 36.4610 176.7226 37 G 3.8606 8.7739 105.9426 47.0012 0.0000 173.6194 38 V 4.4056 7.2764 112.0755 58.7429 34.2049 175.6416 39 T 4.2350 8.1580 111.6331 61.1310 69.3159 174.0159 40 E 4.1121 8.6429 124.4065 57.5927 30.4691 175.1539 41 G 3.7780 8.5894 110.8976 43.9976 0.0000 172.1817 42 L 4.8426 8.2171 119.0715 54.5580 43.0981 176.4740 43 H 4.9864 9.1207 119.4404 53.6560 32.6638 173.3897 44 G 4.0740 9.1539 111.4523 46.9373 0.0000 172.5605 45 F 5.4961 8.8186 124.6203 57.1007 42.0353 172.8111 46 H 5.0952 8.9812 122.7432 53.8554 33.7073 172.8616 47 V 4.3604 8.4769 121.6222 62.5951 32.4814 175.0855 48 H 5.0187 9.4034 125.6087 54.5912 30.5624 176.0662 49 E 3.7181 8.9059 122.5241 58.9673 29.4527 177.1890 50 F 4.9873 7.9566 118.2356 55.8572 41.1679 176.4140 51 G 4.2786 8.4364 113.4938 44.5348 0.0000 174.2013 52 D 4.8292 7.9567 117.4877 52.6825 43.0950 174.6266 53 N 5.2356 8.4626 124.9699 53.1668 39.6502 177.0468 54 T 3.8461 8.3754 117.0337 66.5233 68.5183 176.2721 55 A 4.6495 7.9531 122.2873 51.6094 20.1175 177.3792 56 G 3.8407 8.0575 110.1778 46.7500 0.0000 174.2831 57 C 4.3510 8.6464 114.5258 60.0875 35.3530 175.6167 58 T 3.7444 7.9777 114.5258 65.2105 66.6713 175.7147 59 S 4.2859 7.8888 115.1509 60.4787 63.1140 175.7517 60 A 4.4918 7.5253 124.7410 54.0752 18.2779 178.5820 61 G 4.2100 8.1036 106.0417 44.5968 0.0000 170.5625 62 P 4.7130 0.0000 0.0000 62.0790 34.0007 175.2643 63 H 4.4733 8.4143 116.3737 55.6451 29.5546 175.5746 64 F 4.2450 9.1996 125.4072 58.2332 40.2500 174.8983 65 N 4.9721 7.9304 126.0834 51.2730 38.7369 172.9915 66 P 4.1144 0.0000 0.0000 65.0332 31.9234 177.8818 67 L 4.3512 7.5325 116.2847 53.6785 42.0172 176.0190 68 S 3.6251 7.5723 113.6394 59.7209 60.6846 172.1584 69 R 4.4557 8.0036 118.5319 54.6577 32.0956 176.2465 70 K 4.4590 8.8332 118.4581 55.6765 33.8678 176.5232 71 H 3.9046 8.6136 122.7570 57.0143 30.4745 174.8841 72 G 4.0365 7.4117 109.5419 46.1543 0.0000 172.2101 73 G 4.1812 9.1703 109.4159 43.2758 0.0000 173.4062 74 P 4.3842 0.0000 0.0000 65.2169 31.4074 177.5138 75 K 4.2865 7.9378 115.8030 56.7193 32.4617 176.2463 76 D 4.7432 7.6373 119.6901 53.0065 42.0139 176.3980 77 E 3.8907 8.7576 123.8894 59.1406 29.5974 176.7929 78 E 4.2116 7.9901 122.6924 55.4981 28.5868 174.9126 79 R 4.6883 7.5977 119.9788 55.2306 32.5352 174.7850 80 H 4.4113 8.8575 116.4853 55.3753 29.3733 177.0403 81 V 3.4722 8.2968 122.5405 66.4065 31.3607 177.2294 82 G 3.8549 8.3267 104.5103 47.2804 0.0000 173.4317 83 D 4.9397 8.1990 121.4013 53.4601 40.1450 175.6644 84 L 4.5601 8.3678 121.4613 53.1539 42.7090 178.2241 85 G 4.0858 8.5209 109.2129 46.5397 0.0000 174.2581 86 N 5.5875 8.6811 120.5716 51.3942 42.0173 173.5486 87 V 4.3018 8.4781 114.8169 60.2215 34.4001 174.9808 88 T 5.0304 8.2591 118.7227 61.8437 71.5957 172.7334 89 A 4.9544 9.1283 129.1570 50.4396 21.5644 177.0081 90 D 4.7238 8.5849 121.5435 52.1257 41.5698 177.2248 91 K 3.9730 8.5072 117.6057 59.5894 32.0131 177.7931 92 D 4.4709 8.2712 116.3161 53.3497 39.7554 177.0904 93 G 4.1922 8.4310 108.6218 45.1590 0.0000 172.7069 94 V 4.6997 8.0406 119.8954 61.0306 33.5765 174.3935 95 A 5.1203 9.1706 129.9314 49.5769 21.1654 174.8530 96 D 4.9100 8.6633 123.1113 53.1365 42.4362 176.1368 97 V 4.1603 8.6861 124.6695 61.3797 33.6121 174.9530 98 S 4.6406 8.4959 122.7918 57.6433 64.1299 172.7299 99 I 4.8134 9.2331 128.3207 59.2794 41.2607 174.1999 100 E 5.2195 8.8832 125.5375 54.5018 32.1497 174.4426 101 D 5.0055 9.2439 125.6729 52.8899 44.5174 176.0188 102 S 4.6538 9.0154 119.6376 58.8196 63.9984 174.8862 103 V 4.1408 7.9201 119.3711 64.1929 32.4499 176.2084 104 I 3.9980 7.8665 111.5633 61.2996 37.8219 174.5915 105 S 4.6569 8.2433 114.6529 57.4863 65.4618 173.6244 106 L 4.5725 8.8966 122.2395 54.2493 41.5967 176.2115 107 S 4.4817 7.7908 112.6529 57.8514 65.2182 174.7765 108 G 3.8682 8.5150 108.6188 44.8588 0.0000 173.4705 109 D 4.4396 8.7461 116.9406 56.6180 41.5243 176.5556 110 H 4.8141 7.7613 117.5247 54.3225 29.0309 175.4984 *112 I 3.7659 8.0836 117.8738 59.6926 39.2177 175.6632 113 I 3.6844 7.3271 122.9045 62.9652 37.4144 176.2720 114 G 3.8110 9.4368 113.8400 45.1548 0.0000 172.8630 115 R 4.7360 7.4204 118.9182 54.8804 33.5880 174.6238 116 T 4.9664 7.9351 116.2316 62.0353 70.8670 173.9595 117 L 4.6832 8.5928 128.9771 54.1874 43.9907 175.3929 118 V 4.9696 8.8139 125.9253 61.0177 34.9757 174.1563 119 V 5.0451 8.6020 127.3462 60.6174 33.4838 175.0148 120 H 5.1788 9.0912 122.0659 54.2386 30.2128 174.8135 121 E 4.1987 9.4642 121.8687 59.2596 30.3143 176.6886 122 K 4.7190 8.3679 116.6537 53.7475 36.1969 175.5434 123 A 4.4291 8.3396 123.5407 52.2335 18.9117 176.1992 124 D 5.0227 9.5170 122.2971 53.6169 42.1050 176.1597 125 D 4.5896 9.2182 125.6026 53.1020 39.6861 176.6819 126 L 3.7090 9.9452 118.6263 56.0958 39.6851 175.4198 127 G 4.2402 8.7956 104.6163 45.7488 0.0000 174.7572 128 K 4.5238 8.0614 116.9800 56.0215 32.3256 177.2312 129 G 4.1541 7.8318 107.2925 44.9973 0.0000 175.3983 130 G 3.9187 9.4345 107.9333 45.2049 0.0000 172.2811 131 N 5.0081 7.4804 115.3367 50.8397 40.6264 173.8080 132 E 4.0525 8.7071 117.9441 59.1247 30.0207 178.2017 133 E 3.9205 8.1828 118.7236 58.9698 29.6106 178.3134 134 S 4.1468 8.2004 113.7558 61.2163 62.2041 175.2634 135 T 4.5149 7.5601 110.4171 61.4423 68.5603 175.6422 136 K 4.2771 7.7500 120.5587 58.0367 33.9660 177.1118 137 T 4.1001 7.9386 105.3425 60.0823 70.3918 174.9976 138 G 3.7882 8.1374 109.7385 45.2389 0.0000 173.1490 139 N 4.3010 7.7977 113.8599 54.0480 36.6679 175.1266 140 A 4.4243 7.4259 119.1551 51.6569 19.9754 179.5645 141 G 4.0911 8.2228 102.6422 45.9394 0.0000 173.1183 142 S 4.4966 8.8030 116.0526 58.2612 65.3020 174.0210 143 R 4.5613 8.2905 119.4052 54.8602 29.9872 176.6388 144 L 4.2669 8.7704 125.8895 57.5594 42.8720 177.3821 145 A 5.1820 7.7592 117.9104 51.3338 22.8130 173.9745 146 C 5.5707 8.3358 113.5387 55.8154 46.7367 172.7024 147 G 4.8408 8.1490 104.1871 46.3193 0.0000 172.4197 148 V 4.5557 8.2591 120.7480 62.0065 32.9833 175.4255 149 I 4.2176 8.8853 129.1883 60.8491 38.0849 175.2998 150 G 4.4262 8.9135 114.5478 43.8321 0.0000 172.2830 151 I 4.2243 8.3460 121.6060 61.2655 37.5618 175.4942 152 A 4.8309 8.4964 128.1288 49.6513 22.0746 176.1898 153 Q 4.0702 8.5272 118.9118 56.4343 29.2070 176.0576 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 8.25 4.34 1.27 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 0.00 0.00 2 T 8.23 4.50 4.35 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 1.25 0.00 0.00 3 K 8.35 5.36 0.00 1.88 1.75 0.00 1.88 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.55 1.50 7.81 4 A 9.09 5.42 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.79 4.98 2.07 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 0.80 0.00 0.00 0.94 0.00 0.00 6 C 9.15 4.93 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.49 4.57 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 0.94 0.00 0.00 0.93 0.00 0.00 8 L 8.84 4.94 0.00 1.70 1.59 1.04 0.58 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 9 K 8.75 5.07 0.00 1.66 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 G 8.28 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 0.00 0.00 0.00 0.00 11 D 8.96 4.84 0.00 2.66 2.62 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 12 G 8.08 4.85 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 0.00 0.00 0.00 13 P 0.00 4.51 0.00 2.22 2.18 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 14 V 8.36 4.47 2.07 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 0.96 0.00 0.00 1.04 0.00 0.00 15 Q 8.97 5.03 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 16 G 8.96 4.46 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 0.00 17 I 8.63 5.14 1.82 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 1.20 1.13 0.84 0.00 0.00 18 I 8.84 4.67 1.83 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 1.24 1.17 0.43 0.00 0.00 19 N 8.53 4.91 0.00 1.44 1.45 0.00 0.00 6.40 6.61 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 20 F 9.06 5.28 0.00 2.85 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 21 E 9.76 5.23 0.00 2.57 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 0.00 2.34 2.42 0.00 22 Q 9.67 4.81 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 23 K 9.13 4.03 0.00 1.81 1.90 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.48 7.81 24 E 7.74 4.82 0.00 2.24 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 2.27 2.41 0.00 25 S 8.73 4.14 0.00 4.01 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 26 N 8.20 4.67 0.00 2.85 2.95 0.00 0.00 5.83 7.00 0.00 0.00 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 G 7.68 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.69 0.00 2.14 2.11 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.82 4.62 2.24 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 1.31 0.00 0.00 1.04 0.00 0.00 30 K 9.16 4.83 0.00 2.02 1.90 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.44 7.81 31 V 9.25 4.77 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 0.80 0.00 0.00 1.11 0.00 0.00 32 W 8.93 5.61 0.00 3.45 3.18 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 33 G 7.46 3.90 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 0.00 0.00 0.00 34 S 7.80 5.09 0.00 3.88 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 35 I 8.78 5.22 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.90 0.00 0.00 36 K 9.24 4.84 0.00 1.70 1.85 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.34 7.81 37 G 8.77 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 38 V 7.28 4.41 1.76 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 0.82 0.00 0.00 0.85 0.00 0.00 39 T 8.16 4.23 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 1.24 0.00 0.00 40 E 8.64 4.11 0.00 2.08 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 2.30 2.33 0.00 41 G 8.59 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 0.00 0.00 0.00 42 L 8.22 4.84 0.00 1.49 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.12 4.99 0.00 3.03 3.31 0.00 5.63 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 44 G 9.15 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 0.00 0.00 0.00 45 F 8.82 5.50 0.00 3.03 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 46 H 8.98 5.10 0.00 3.11 2.90 0.00 5.68 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 47 V 8.48 4.36 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 0.80 0.00 0.00 0.85 0.00 0.00 48 H 9.40 5.02 0.00 3.07 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.91 3.72 0.00 1.69 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.12 0.00 50 F 7.96 4.99 0.00 3.17 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 51 G 8.44 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 0.00 0.00 0.00 0.00 52 D 7.96 4.83 0.00 2.62 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 53 N 8.46 5.24 0.00 2.75 2.75 0.00 0.00 7.05 7.05 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 54 T 8.38 3.85 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 1.19 0.00 0.00 55 A 7.95 4.65 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 56 G 8.06 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 0.00 0.00 0.00 57 C 8.65 4.35 0.00 2.96 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 58 T 7.98 3.74 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 1.27 0.00 0.00 59 S 7.89 4.29 0.00 4.22 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 60 A 7.53 4.49 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 0.00 0.00 61 G 8.10 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 62 P 0.00 4.71 0.00 2.04 2.21 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 63 H 8.41 4.47 0.00 2.79 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.20 4.24 0.00 2.84 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 65 N 7.93 4.97 0.00 2.58 2.43 0.00 0.00 6.91 7.71 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 66 P 0.00 4.11 0.00 2.00 1.87 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 0.00 67 L 7.53 4.35 0.00 1.53 1.66 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.57 3.63 0.00 4.00 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 69 R 8.00 4.46 0.00 1.90 2.00 0.00 3.24 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 70 K 8.83 4.46 0.00 1.64 1.68 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.36 7.81 71 H 8.61 3.90 0.00 3.14 3.14 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.41 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 73 G 9.17 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.38 0.00 2.23 2.37 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 75 K 7.94 4.29 0.00 1.77 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.41 7.81 76 D 7.64 4.74 0.00 2.83 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 77 E 8.76 3.89 0.00 1.90 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 2.28 2.34 0.00 78 E 7.99 4.21 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 79 R 7.60 4.69 0.00 1.83 1.88 0.00 2.88 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 80 H 8.86 4.41 0.00 3.50 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.30 3.47 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 0.83 0.00 0.00 0.48 0.00 0.00 82 G 8.33 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 0.00 0.00 0.00 83 D 8.20 4.94 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 84 L 8.37 4.56 0.00 1.75 1.86 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.52 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 86 N 8.68 5.59 0.00 2.60 2.71 0.00 0.00 6.68 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 87 V 8.48 4.30 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 88 T 8.26 5.03 4.22 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 1.20 0.00 0.00 89 A 9.13 4.95 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 90 D 8.58 4.72 0.00 2.92 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 91 K 8.51 3.97 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.37 7.81 92 D 8.27 4.47 0.00 2.80 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 93 G 8.43 4.19 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 0.00 0.00 0.00 94 V 8.04 4.70 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 0.91 0.00 0.00 1.00 0.00 0.00 95 A 9.17 5.12 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 96 D 8.66 4.91 0.00 2.55 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 97 V 8.69 4.16 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 0.75 0.00 0.00 0.58 0.00 0.00 98 S 8.50 4.64 0.00 3.90 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 99 I 9.23 4.81 2.00 0.00 0.00 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 1.20 0.61 1.03 0.00 0.00 100 E 8.88 5.22 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 101 D 9.24 5.01 0.00 2.87 2.53 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 0.00 102 S 9.02 4.65 0.00 3.92 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 0.00 103 V 7.92 4.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 104 I 7.87 4.00 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 1.03 0.00 0.00 105 S 8.24 4.66 0.00 3.80 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.90 4.57 0.00 1.89 1.63 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.79 4.48 0.00 3.91 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 0.00 108 G 8.52 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.44 0.00 2.66 2.80 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 0.00 110 H 7.76 4.81 0.00 3.42 3.38 0.00 5.72 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 *112 I 8.08 3.77 1.58 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.17 0.96 0.00 0.00 113 I 7.33 3.68 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.36 0.83 0.00 0.00 114 G 9.44 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 0.00 0.00 0.00 115 R 7.42 4.74 0.00 1.60 1.82 0.00 2.21 0.00 0.00 2.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.20 0.00 116 T 7.94 4.97 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 117 L 8.59 4.68 0.00 1.80 1.56 0.53 0.71 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 0.00 118 V 8.81 4.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.75 0.00 0.00 119 V 8.60 5.05 2.24 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 0.71 0.00 0.00 1.01 0.00 0.00 120 H 9.09 5.18 0.00 3.28 3.57 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.46 4.20 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 122 K 8.37 4.72 0.00 1.72 1.68 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 123 A 8.34 4.43 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 0.00 124 D 9.52 5.02 0.00 2.71 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 0.00 125 D 9.22 4.59 0.00 2.94 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 0.00 126 L 9.95 3.71 0.00 1.77 1.79 0.94 1.14 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 0.00 127 G 8.80 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 0.00 128 K 8.06 4.52 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 129 G 7.83 4.15 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 0.00 130 G 9.43 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 0.00 131 N 7.48 5.01 0.00 2.76 2.78 0.00 0.00 6.16 7.66 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 0.00 132 E 8.71 4.05 0.00 2.02 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 2.37 2.29 0.00 133 E 8.18 3.92 0.00 2.11 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 2.36 2.40 0.00 134 S 8.20 4.15 0.00 4.09 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 0.00 135 T 7.56 4.51 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 136 K 7.75 4.28 0.00 1.79 1.80 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.43 7.81 137 T 7.94 4.10 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 138 G 8.14 3.79 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 0.00 0.00 0.00 139 N 7.80 4.30 0.00 3.03 2.90 0.00 0.00 6.83 7.03 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 0.00 140 A 7.43 4.42 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 0.00 141 G 8.22 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 0.00 142 S 8.80 4.50 0.00 3.94 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.29 4.56 0.00 1.68 1.85 0.00 3.20 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 144 L 8.77 4.27 0.00 1.76 1.70 0.96 0.52 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 0.00 145 A 7.76 5.18 1.20 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 0.00 0.00 146 C 8.34 5.57 0.00 3.07 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 0.00 147 G 8.15 4.84 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 0.00 0.00 0.00 148 V 8.26 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 149 I 8.89 4.22 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.39 0.49 0.00 0.00 150 G 8.91 4.43 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 0.00 151 I 8.35 4.22 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.50 4.83 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 0.00 153 Q 8.53 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.