NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.4294 8.4201 119.2034 53.3612 40.1116 177.0204 *4 A 4.0787 8.6408 116.6444 52.0066 20.3669 175.4468 5 H 4.9678 8.1342 114.3287 54.6917 32.9351 172.9816 6 T 4.6673 8.2632 113.3412 61.9758 71.0834 172.0333 7 T 5.0486 8.4014 119.5037 62.4922 70.9076 172.4812 8 T 4.7334 8.4229 118.7462 61.2884 70.9460 172.6082 9 S 5.9332 8.5517 123.5752 55.8488 66.7293 172.9921 *11 E 4.3321 8.4767 118.9389 56.5560 30.4672 175.5810 12 I 4.4985 8.6231 123.9237 59.3348 40.4846 175.2991 13 F 5.3965 8.7838 129.6259 55.6557 37.1660 174.3152 14 G 3.8781 7.7256 106.0066 44.6203 0.0000 171.4234 15 S 4.3178 8.2702 117.1920 57.3760 64.0395 173.2665 16 P 4.1348 0.0000 0.0000 66.1609 31.0520 178.7114 17 E 4.0404 8.1007 116.4098 59.5297 28.9429 179.0983 18 Q 4.0593 8.0334 119.3376 59.2098 29.2265 178.3975 19 V 3.4858 8.2890 119.6969 65.6967 31.5081 177.8728 20 W 4.2322 8.7896 128.5311 60.3811 30.2703 178.0465 21 Q 4.0543 8.0856 117.6283 58.5672 28.1508 177.9482 22 L 4.1753 7.5671 120.0512 56.6865 42.1741 177.7399 23 I 4.0656 7.3381 110.6535 60.4295 38.1170 176.9682 24 G 2.0000 7.5382 109.4261 45.7844 0.0000 174.0723 25 G 3.8276 7.1798 110.0664 43.8299 0.0000 175.1009 26 F 3.8684 8.6690 126.3100 60.5538 39.5988 175.1302 27 N 4.6033 8.0241 116.1792 53.5221 38.4352 174.6018 28 S 4.7350 7.7702 111.7746 58.3395 63.3044 175.9508 29 L 3.7931 7.9602 123.5516 57.4501 41.4034 177.7908 30 P 4.2865 0.0000 0.0000 65.2049 31.3763 177.2709 31 D 4.6131 8.0324 117.5566 55.8307 40.9011 176.9786 32 W 5.0301 7.8635 112.2864 55.2641 29.7802 174.7959 33 L 4.1412 7.9316 121.2426 52.4796 41.3507 175.1195 34 P 4.3841 0.0000 0.0000 63.6036 31.0494 176.2689 35 Y 4.5724 7.3349 114.6265 57.9096 38.8784 175.1878 36 I 4.4114 7.2541 121.4124 58.8288 38.7145 173.8301 37 P 4.3813 0.0000 0.0000 64.9366 31.6959 176.7028 38 S 4.7521 7.5264 110.9021 56.9678 66.6468 172.1306 39 S 5.1382 8.4987 114.7179 56.5678 65.3120 173.0886 40 K 4.7119 8.8028 125.0638 54.6267 35.7190 175.1460 41 L 5.2746 8.5157 123.1832 53.8389 43.9239 175.5733 42 T 4.6490 9.0042 118.1983 61.2271 73.6190 173.1782 43 E 3.6556 9.3863 118.6500 58.0314 26.8755 175.8603 44 G 3.9075 9.3186 100.0671 46.9503 0.0000 174.4765 45 G 4.0812 8.1281 105.9598 45.0810 0.0000 175.4747 46 R 4.1597 8.0093 119.1970 56.8224 30.9626 176.1644 47 V 5.2893 7.7737 117.8939 60.8684 34.9919 174.1742 48 R 5.1259 9.0451 123.8689 54.7539 32.3841 174.5162 49 H 4.9669 9.6042 120.6203 54.2767 30.8141 173.2708 50 L 4.7250 8.8349 125.0119 53.6483 43.1262 176.7893 51 A 4.6362 8.4331 127.4273 50.0490 17.1419 175.1473 52 N 4.3099 8.3959 119.4430 52.3837 40.3436 174.5719 53 P 4.5894 0.0000 0.0000 62.0415 30.2880 177.2370 54 D 4.4919 7.9284 111.9132 56.3540 44.2790 175.5234 55 G 4.2070 8.1086 111.1133 45.4770 0.0000 174.3257 56 D 4.6856 7.5532 118.1493 53.4272 40.7684 175.3139 57 T 5.0921 8.1311 113.7196 61.9608 73.6786 173.2667 58 I 4.7828 8.3682 123.1464 59.8288 40.5476 174.5213 59 I 4.8540 9.0931 129.5484 59.6501 38.7479 175.3206 60 E 5.1739 9.0692 125.6328 54.6074 34.2946 174.4135 61 R 5.2783 9.3649 122.6574 54.3808 32.6894 174.7854 62 L 4.0315 8.5023 129.3471 55.4809 41.8530 175.9444 63 E 4.5404 9.4906 126.4856 58.0246 30.8992 176.8181 64 V 4.6970 7.6859 117.1831 61.5319 35.5779 173.5121 65 F 5.1851 8.5871 127.4239 56.9665 42.8387 172.8789 66 N 4.4334 7.7255 124.0780 51.8935 41.5578 174.1311 67 D 4.1240 8.7758 126.2484 57.3465 41.8417 178.3819 68 K 3.8210 7.7710 117.1549 59.2761 32.1646 177.8006 69 E 4.0669 8.4920 116.0217 55.7279 29.8761 177.0863 70 R 2.0000 6.8106 115.8179 55.0290 27.6718 174.0109 71 Y 5.5368 6.6542 116.0482 57.4610 42.5318 173.9643 72 Y 5.5645 8.4159 116.9859 56.5503 41.5719 173.3978 73 T 5.4174 9.4487 120.2117 62.2956 71.6387 172.9625 74 Y 5.7455 8.9805 122.3906 55.9000 42.3579 173.6330 75 S 5.6358 9.6588 114.2011 55.8397 67.0312 173.1886 76 I 4.5991 8.5768 121.3222 60.0354 39.6413 174.8067 *78 N 4.5469 8.4320 120.1700 53.9347 39.7586 172.9856 79 A 4.8803 8.4906 126.8887 50.7480 22.1103 173.7142 80 P 4.4441 0.0000 0.0000 62.9566 31.8585 176.8527 81 F 4.5240 7.1063 118.3642 57.5904 39.9680 173.3088 82 P 4.9123 0.0000 0.0000 61.7363 30.4051 174.3867 83 V 5.0780 7.4730 111.0387 61.8380 36.8858 175.1371 84 T 4.7108 8.7594 116.6875 62.4324 73.5771 173.8779 85 N 4.3505 8.9559 116.2888 54.4712 36.3220 173.4972 86 Y 4.4915 8.0833 119.3944 57.6644 40.3362 174.0386 87 L 4.7269 8.4539 128.5161 53.4845 45.6300 174.7305 88 S 4.8178 8.4889 120.5098 56.5449 66.0907 172.3836 89 T 5.1010 8.4577 119.3568 60.2465 71.2136 172.2041 90 I 4.8213 8.2903 127.2187 59.2546 40.8214 173.7769 91 Q 4.9847 9.2442 130.4554 54.3243 32.8499 174.3698 92 V 4.4555 8.4599 125.1834 61.3759 32.4682 175.3148 93 K 4.3962 8.7750 128.8274 54.6002 34.5931 175.6806 94 E 4.2031 8.5856 122.3667 56.7491 30.1019 177.3236 95 G 4.3525 8.5861 115.0161 44.1080 0.0000 172.9519 96 T 4.1046 8.5399 108.1015 63.2996 69.5108 174.0207 97 E 4.8414 7.7363 120.4360 53.8801 33.2958 176.5981 98 S 4.2454 8.7114 114.5205 60.5621 63.0666 174.7287 99 N 4.9008 8.1626 117.9887 52.6367 37.7225 173.7369 100 T 5.2958 7.8668 114.8074 62.5402 73.1565 172.9171 101 S 5.0147 8.8159 116.8896 56.8070 67.4443 172.6180 102 L 4.9250 8.5793 122.4095 53.3967 44.5075 175.1744 103 V 4.5627 8.3263 126.8168 61.7476 33.5439 173.9174 104 E 5.1910 9.3129 128.6537 54.1208 32.4186 174.2178 105 W 5.2053 9.1691 135.0000 56.1295 33.3099 174.3725 106 S 4.9050 8.6352 124.2012 56.9160 65.8122 173.4254 107 G 4.2776 8.0809 103.4234 46.3746 0.0000 172.8963 108 T 4.4034 7.9396 115.4890 59.7595 71.7894 173.0195 109 F 5.1430 6.9993 115.8691 57.6033 41.5885 173.1974 110 T 4.6208 8.9880 117.0373 61.1854 70.1132 172.6502 111 P 4.8615 0.0000 0.0000 62.7040 32.4576 176.3732 112 V 4.3717 8.3463 123.1285 61.8224 34.6596 175.0586 113 E 3.8761 9.2317 123.3652 56.8165 28.3872 173.8539 114 V 4.3768 7.1154 109.4572 59.3906 36.0866 174.5947 115 S 4.4785 9.4333 118.7808 58.0641 65.0025 175.3424 116 D 4.4498 8.5092 121.2999 57.5805 40.4541 178.8824 117 E 4.0011 8.1410 118.6858 59.4427 29.5449 179.1089 118 E 3.9292 8.5174 118.6453 59.1932 29.6437 179.2013 119 A 3.9747 8.0584 120.8119 54.9912 18.4886 179.7802 120 I 4.0046 8.2541 118.8055 64.6674 37.1960 178.4354 121 N 4.3325 8.4731 117.6680 56.2098 38.3496 176.8209 122 L 3.6033 7.7762 121.6579 58.4617 42.1087 179.2170 123 F 3.4091 7.5943 117.0042 60.1813 38.6832 177.3834 124 H 4.2308 8.1979 118.4205 58.9613 29.6129 177.6040 125 G 3.4315 7.9556 107.6489 47.6745 0.0000 175.8425 126 I 3.4279 7.2158 122.2422 64.0827 36.5713 178.1121 127 Y 3.4149 7.6965 117.7826 60.9955 37.6919 178.5101 128 S 4.2511 8.2436 114.1991 61.7466 62.5360 175.9941 129 D 4.5990 8.2667 121.6335 57.2497 40.5821 179.0093 130 G 4.1396 8.3309 106.3621 48.1956 0.0000 175.8038 131 L 4.5157 8.7485 121.6244 57.0717 41.6925 179.4721 132 K 4.0878 8.6035 119.9607 59.3612 32.1502 178.7688 133 A 4.1405 8.3121 121.1728 55.0899 18.1801 179.4052 134 L 4.2311 8.2129 118.5542 58.3254 41.9909 178.9658 135 Q 4.0946 8.5554 119.8211 59.1384 28.7823 177.9994 136 Q 4.0502 8.0777 119.4168 59.3281 29.2583 177.9474 137 A 4.1689 8.1325 120.3557 54.9331 18.4307 179.1206 138 F 4.0619 8.0816 115.8666 59.2148 39.5424 175.8660 139 L 4.7730 7.7820 118.3676 56.1694 41.3482 176.6983 140 D 4.8145 7.6631 113.4413 54.1475 41.3625 174.5387 141 L 4.1230 7.7886 123.1708 55.1964 41.6067 177.7301 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 N 8.42 4.43 0.00 2.71 2.10 0.00 0.00 6.93 7.08 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 *4 A 8.64 4.08 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 5 H 8.13 4.97 0.00 2.90 3.01 0.00 5.75 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 6 T 8.26 4.67 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 1.51 0.00 0.00 7 T 8.40 5.05 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 8 T 8.42 4.73 4.40 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 1.50 0.00 0.00 9 S 8.55 5.93 0.00 3.79 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 *11 E 8.48 4.33 0.00 2.01 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 2.23 2.30 0.00 12 I 8.62 4.50 1.66 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.94 0.63 0.00 0.00 13 F 8.78 5.40 0.00 2.94 3.09 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 14 G 7.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.27 4.32 0.00 3.99 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 16 P 0.00 4.13 0.00 2.12 2.11 0.00 3.56 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 2.08 2.15 0.00 17 E 8.10 4.04 0.00 2.07 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 0.00 2.41 2.42 0.00 18 Q 8.03 4.06 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 19 V 8.29 3.49 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 0.70 0.00 0.00 0.00 0.00 0.00 20 W 8.79 4.23 0.00 3.35 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 21 Q 8.09 4.05 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.75 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 22 L 7.57 4.18 0.00 1.74 1.93 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.34 4.07 0.87 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 -0.33 0.00 0.00 24 G 7.54 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 3.83 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 26 F 8.67 3.87 0.00 2.54 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 27 N 8.02 4.60 0.00 2.68 2.74 0.00 0.00 6.91 7.63 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 28 S 7.77 4.74 0.00 4.13 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 29 L 7.96 3.79 0.00 1.59 1.51 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.29 0.00 2.01 2.07 0.00 3.69 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 2.04 2.05 0.00 31 D 8.03 4.61 0.00 2.97 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 32 W 7.86 5.03 0.00 3.57 3.13 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 33 L 7.93 4.14 0.00 1.45 1.48 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.38 0.00 1.69 1.89 0.00 3.42 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.59 0.00 35 Y 7.33 4.57 0.00 3.00 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 36 I 7.25 4.41 1.79 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.87 0.00 0.00 37 P 0.00 4.38 0.00 2.02 2.09 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 38 S 7.53 4.75 0.00 3.81 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 39 S 8.50 5.14 0.00 3.77 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 40 K 8.80 4.71 0.00 1.69 1.58 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.35 7.81 41 L 8.52 5.27 0.00 1.53 1.62 0.93 0.90 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 42 T 9.00 4.65 4.39 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 0.00 0.00 0.00 1.27 0.00 0.00 43 E 9.39 3.66 0.00 2.19 2.00 0.00 0.00 0.00 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 2.33 0.00 44 G 9.32 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 45 G 8.13 4.08 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 0.00 0.00 0.00 46 R 8.01 4.16 0.00 1.96 1.98 0.00 3.07 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 47 V 7.77 5.29 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 1.16 0.00 0.00 1.06 0.00 0.00 48 R 9.05 5.13 0.00 1.63 1.57 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.22 0.00 49 H 9.60 4.97 0.00 3.05 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.83 4.72 0.00 1.55 1.56 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.43 4.64 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 52 N 8.40 4.31 0.00 2.65 2.86 0.00 0.00 6.92 7.59 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 53 P 0.00 4.59 0.00 2.23 2.13 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 54 D 7.93 4.49 0.00 3.18 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.11 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 56 D 7.55 4.69 0.00 2.62 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 57 T 8.13 5.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 58 I 8.37 4.78 1.85 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 0.80 0.63 0.97 0.00 0.00 59 I 9.09 4.85 1.84 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 0.99 0.49 0.82 0.00 0.00 60 E 9.07 5.17 0.00 2.04 2.39 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 0.00 2.46 2.33 0.00 61 R 9.36 5.28 0.00 1.95 1.93 0.00 3.17 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 62 L 8.50 4.03 0.00 0.27 1.13 0.72 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.49 4.54 0.00 2.11 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 0.00 2.60 2.48 0.00 64 V 7.69 4.70 2.32 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 1.23 0.00 0.00 1.04 0.00 0.00 65 F 8.59 5.19 0.00 3.05 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 66 N 7.73 4.43 0.00 2.10 1.42 0.00 0.00 6.48 8.22 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 67 D 8.78 4.12 0.00 3.09 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 68 K 7.77 3.82 0.00 1.67 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 69 E 8.49 4.07 0.00 1.92 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 0.00 2.28 2.20 0.00 70 R 6.81 2.00 0.00 1.45 0.97 0.00 3.18 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.20 0.00 71 Y 6.65 5.54 0.00 3.02 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 72 Y 8.42 5.56 0.00 3.44 3.39 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 0.00 0.00 0.00 0.00 73 T 9.45 5.42 4.42 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 0.00 0.00 0.00 1.27 0.00 0.00 74 Y 8.98 5.75 0.00 3.66 3.54 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 75 S 9.66 5.64 0.00 4.07 4.10 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 0.00 0.00 0.00 0.00 76 I 8.58 4.60 2.09 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 1.01 0.00 0.00 *78 N 8.43 4.55 0.00 2.81 2.75 0.00 0.00 6.53 8.15 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 79 A 8.49 4.88 0.89 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 80 P 0.00 4.44 0.00 2.02 2.00 0.00 3.06 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.95 0.00 81 F 7.11 4.52 0.00 3.14 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 82 P 0.00 4.91 0.00 2.27 2.25 0.00 3.90 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 2.05 1.81 0.00 83 V 7.47 5.08 2.32 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 0.74 0.00 0.00 1.03 0.00 0.00 84 T 8.76 4.71 4.32 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 1.28 0.00 0.00 85 N 8.96 4.35 0.00 3.04 2.91 0.00 0.00 6.44 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 86 Y 8.08 4.49 0.00 3.16 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 87 L 8.45 4.73 0.00 1.64 1.25 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.49 4.82 0.00 3.39 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 89 T 8.46 5.10 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 1.13 0.00 0.00 90 I 8.29 4.82 1.20 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.99 0.09 0.00 0.00 91 Q 9.24 4.98 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 92 V 8.46 4.46 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 0.83 0.00 0.00 1.10 0.00 0.00 93 K 8.78 4.40 0.00 1.80 1.69 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.32 7.81 94 E 8.59 4.20 0.00 1.92 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 2.27 2.36 0.00 95 G 8.59 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 0.00 0.00 0.00 0.00 96 T 8.54 4.10 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 1.25 0.00 0.00 97 E 7.74 4.84 0.00 2.09 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 2.31 2.24 0.00 98 S 8.71 4.25 0.00 3.97 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 99 N 8.16 4.90 0.00 2.81 3.04 0.00 0.00 6.04 7.22 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 0.00 100 T 7.87 5.30 4.52 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 1.34 0.00 0.00 101 S 8.82 5.01 0.00 3.89 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 0.00 102 L 8.58 4.93 0.00 1.88 1.61 1.01 0.97 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 0.00 103 V 8.33 4.56 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 0.89 0.00 0.00 0.83 0.00 0.00 104 E 9.31 5.19 0.00 2.00 1.74 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 2.22 2.22 0.00 105 W 9.17 5.21 0.00 3.36 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 0.00 106 S 8.64 4.90 0.00 3.75 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 0.00 107 G 8.08 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 0.00 108 T 7.94 4.40 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 1.15 0.00 0.00 109 F 7.00 5.14 0.00 3.03 3.02 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 0.00 110 T 8.99 4.62 4.42 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 0.00 0.00 0.00 1.26 0.00 0.00 111 P 0.00 4.86 0.00 2.01 2.13 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 112 V 8.35 4.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 113 E 9.23 3.88 0.00 2.36 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 2.28 2.32 0.00 114 V 7.12 4.38 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 0.64 0.00 0.00 1.04 0.00 0.00 115 S 9.43 4.48 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 0.00 116 D 8.51 4.45 0.00 2.82 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 0.00 117 E 8.14 4.00 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 118 E 8.52 3.93 0.00 2.00 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 2.31 2.32 0.00 119 A 8.06 3.97 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 0.00 120 I 8.25 4.00 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.90 0.96 0.00 0.00 121 N 8.47 4.33 0.00 2.95 2.80 0.00 0.00 6.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.78 3.60 0.00 1.56 1.33 0.55 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.59 3.41 0.00 2.78 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 0.00 0.00 0.00 0.00 124 H 8.20 4.23 0.00 3.35 3.32 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 0.00 125 G 7.96 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 0.00 126 I 7.22 3.43 1.46 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.75 0.00 0.00 127 Y 7.70 3.41 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.25 0.00 3.77 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 0.00 129 D 8.27 4.60 0.00 2.71 2.82 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 0.00 0.00 0.00 130 G 8.33 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 0.00 0.00 0.00 131 L 8.75 4.52 0.00 1.95 1.94 1.18 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.60 4.09 0.00 2.13 1.95 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.69 7.81 133 A 8.31 4.14 1.56 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 0.00 0.00 134 L 8.21 4.23 0.00 2.29 2.12 0.98 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.56 4.09 0.00 2.43 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 136 Q 8.08 4.05 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 137 A 8.13 4.17 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 0.00 138 F 8.08 4.06 0.00 3.24 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 0.00 139 L 7.78 4.77 0.00 2.00 2.01 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.66 4.81 0.00 2.76 2.78 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 0.00 141 L 7.79 4.12 0.00 1.68 1.56 1.03 0.89 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 * Residues marked with a * may have inaccurate shift predictions.