NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2940 8.1693 120.6223 54.3623 43.2684 176.7468 3 D 4.3762 8.1799 121.0968 52.0533 41.3969 175.3883 4 Q 3.8880 8.8878 123.1728 59.7925 28.8972 180.1313 5 Q 3.9797 8.0993 119.6154 59.6347 29.0141 178.3275 6 T 3.7848 7.3787 116.1902 66.6722 68.4654 176.3798 7 I 3.5552 8.0072 121.8489 64.6194 37.1419 178.1651 8 N 4.2607 10.1265 116.4208 56.4871 38.4613 177.3411 9 I 3.6692 8.8762 120.4991 63.9206 37.7859 177.9118 10 I 3.1574 8.0445 121.0503 64.2630 36.6827 178.5516 11 K 3.9961 7.9772 117.6955 59.3947 31.9147 178.9913 12 A 4.1786 8.1655 120.6673 54.8575 18.5635 178.9845 13 T 4.3713 8.2345 107.0040 62.7879 69.0508 177.0056 14 V 3.7528 7.7419 122.0197 65.9816 31.4307 176.0678 15 P 4.3960 0.0000 0.0000 65.5675 31.0651 178.6553 16 V 3.5835 7.7471 115.0660 65.9689 31.6786 177.4556 17 L 4.0010 8.1941 118.9498 57.8827 41.3874 179.4011 18 K 3.8182 9.2324 119.8848 59.6172 31.8463 178.3011 19 E 3.9804 8.5367 118.8981 58.4473 29.7074 176.9718 20 H 4.8436 8.1511 114.9818 55.3687 29.5911 175.8832 21 G 3.8279 7.8471 108.7973 48.2389 0.0000 175.8702 22 V 3.7688 7.8960 120.6522 65.9772 31.1271 178.1110 23 T 4.0332 7.8337 114.2850 66.7016 68.3559 176.2432 24 I 4.0400 7.7080 121.6011 64.9531 37.1948 178.4489 25 T 4.1286 8.6774 117.0242 67.0808 68.2265 176.8387 26 T 3.9673 8.6799 118.5009 67.1281 68.6553 176.9809 27 T 3.8763 9.0186 118.6491 66.3470 68.4173 176.3821 28 F 3.9845 8.9728 123.8635 61.7712 39.3733 176.9622 29 Y 3.2754 8.1023 116.0630 60.3850 37.4872 178.2707 30 K 3.9802 7.7575 120.8779 59.6617 32.3721 178.7546 31 N 4.2407 7.8186 116.3995 55.8411 38.4913 177.2037 32 L 3.5410 7.2676 121.7666 58.0848 41.8636 179.0486 33 F 4.4905 7.3113 116.2598 60.7094 38.9057 177.1366 34 A 4.0970 8.1157 119.7171 55.3177 18.3562 179.3498 35 K 4.1137 8.0645 114.9770 57.5516 33.8578 177.2440 36 H 4.9318 7.9736 115.9213 52.5671 29.8685 172.3045 37 P 4.3058 0.0000 0.0000 65.9999 31.4411 178.1745 38 E 4.1072 8.2694 114.6725 58.8833 29.6997 178.6017 39 V 4.1415 7.9386 112.4636 62.4854 32.2207 178.0478 40 R 4.1214 7.8868 118.1970 59.1393 29.6661 177.0444 41 P 4.3536 0.0000 0.0000 65.3806 31.4033 178.3322 42 L 4.0678 8.0482 117.5724 59.0181 41.9175 177.5577 43 F 4.4300 8.0809 118.4874 56.8459 40.7701 174.5284 *53 Q 3.9419 8.6924 121.6123 56.6492 30.6451 173.4742 54 P 4.2682 0.0000 0.0000 62.0636 30.2557 176.2283 55 K 4.0444 8.5915 124.7444 59.3704 32.4442 178.0720 56 A 4.4850 7.9930 120.0071 52.1624 19.0533 178.3399 57 L 3.9047 7.9149 119.8839 59.1336 42.0132 179.3075 58 A 3.8358 7.8318 120.2502 55.0411 18.3082 179.3461 59 M 4.0034 7.9120 115.1655 58.7940 31.3841 178.5793 60 T 4.0050 8.3864 117.5050 66.3766 68.6181 176.5217 61 V 3.7084 7.8846 119.8046 66.1223 31.6774 177.9563 62 L 4.1393 8.4368 118.8248 57.9410 41.2657 179.4144 63 A 4.0754 8.6944 120.2462 55.1064 18.5663 179.2457 64 A 4.1368 8.4250 119.4195 55.1028 18.2966 179.6067 65 A 4.0002 8.2144 118.9598 55.4762 18.5174 179.4003 66 Q 4.1412 8.0671 116.8369 58.2353 29.3700 176.8408 67 N 4.9882 7.8560 117.3489 52.8535 39.8877 176.4156 68 I 3.8144 7.8599 121.1976 62.9412 38.2925 175.8627 69 E 4.4279 7.9454 117.3201 57.1264 30.9214 175.4684 70 N 5.0146 8.0447 117.7737 50.9764 39.2726 174.9831 71 L 3.9852 7.8653 121.1221 57.5708 42.1511 177.4743 72 P 4.1379 0.0000 0.0000 65.5593 30.9737 177.9835 73 A 4.0118 7.9433 119.0325 54.8585 18.4220 178.7793 74 I 4.0603 7.8542 109.7776 61.5366 38.1704 177.5655 75 L 3.8222 7.8754 122.0579 57.9362 41.2126 177.5460 76 P 4.2865 0.0000 0.0000 65.2823 31.5698 178.1852 77 A 4.1504 7.8015 119.1674 54.9311 18.6253 179.4082 78 V 3.2198 7.9258 117.1699 66.2488 31.2359 178.4505 79 K 4.0307 8.1276 116.8818 58.7093 31.8208 178.9269 80 K 4.1257 7.9690 120.4739 59.1032 32.1030 178.9304 81 I 3.7005 7.7397 119.4426 64.3893 37.2077 177.7041 82 A 4.3165 7.8978 122.9693 54.7824 18.0040 179.8766 83 V 3.5305 7.3242 116.5066 65.9404 31.5747 178.4838 84 K 3.9621 7.8564 117.7149 59.7496 31.9458 178.6945 85 H 4.2427 8.3502 116.5080 59.4279 28.6580 177.7257 86 C 4.0956 8.5274 119.8945 62.2994 27.6303 176.2344 87 Q 4.1100 8.2198 118.7664 58.0733 28.3380 177.5109 88 A 4.5453 7.8302 119.4967 51.2233 19.2908 177.2178 89 G 3.8919 7.8766 105.1894 46.2188 0.0000 174.4188 90 V 3.7974 8.1612 119.4703 62.3517 32.2940 175.2147 91 A 4.9151 8.7004 128.1425 49.8684 22.0746 176.5678 92 A 4.3847 9.0105 123.6944 55.4734 18.4793 179.9087 93 A 4.2349 7.9396 117.0299 55.0002 18.8266 178.9556 94 H 4.4626 8.6693 113.8934 58.6019 28.5577 177.1485 95 Y 3.9983 7.8742 118.7436 60.8727 37.6814 177.0707 96 P 4.4103 0.0000 0.0000 65.5695 31.4698 178.6877 97 I 3.7107 7.7070 111.5555 63.6358 37.5839 178.3665 98 V 3.6811 7.5855 120.1813 65.7369 31.3095 178.1772 99 G 2.5450 8.0163 105.5106 47.4291 0.0000 175.3002 100 Q 3.9082 8.2508 122.5334 59.0352 29.0810 178.3888 101 E 3.9615 8.2835 119.5891 59.0229 29.3546 179.0219 102 L 3.8253 8.2960 120.8481 58.2831 42.2399 179.0442 103 L 4.0845 8.1151 119.1930 57.6185 41.4746 180.0499 104 G 3.5196 7.8649 105.1995 47.5149 0.0000 175.6938 105 A 3.9282 7.9894 123.4266 54.9720 18.3791 179.4326 106 I 3.4522 7.8869 118.7500 64.6482 36.6485 178.5393 107 K 3.9016 7.9407 119.9717 59.5477 31.8433 178.7022 108 E 3.9707 8.3312 118.1327 59.3366 29.4292 179.1970 109 V 3.8601 7.8683 111.3777 63.1776 32.0063 178.1497 110 L 4.0465 7.7304 118.7792 55.7169 41.6321 178.2537 111 G 3.9992 8.3390 105.1431 45.0836 0.0000 175.4444 112 D 4.3468 9.0679 122.0172 56.9014 40.9549 177.3662 113 A 4.0329 7.9605 120.3514 54.6220 19.1422 177.7663 114 A 4.3410 7.1681 119.6994 52.6344 16.8055 177.6671 115 T 4.2289 7.4011 114.3000 60.6999 71.7219 174.9823 116 D 4.3928 8.6730 121.5404 58.1313 40.9040 179.1409 117 D 4.6787 8.0647 117.4509 56.4795 41.0388 178.6229 118 I 3.9515 7.2699 120.8025 63.9560 37.2092 178.1562 119 L 4.1353 8.0222 119.8394 57.9375 41.4992 178.9739 120 D 4.4107 8.1531 118.5870 57.7119 40.8751 179.0688 121 A 4.0016 7.8364 120.4007 54.9771 18.2725 179.7208 122 W 3.7645 8.1263 117.3310 59.2869 28.9792 179.1480 123 G 3.6982 8.5339 106.4254 47.8037 0.0000 175.9696 124 K 3.9966 8.4361 121.6665 58.9349 31.9836 179.2018 125 A 3.9269 7.9881 121.0138 55.3739 18.0296 179.0463 126 Y 4.1297 8.4604 118.0881 60.7912 38.8550 177.9855 127 G 3.9027 8.0321 106.4436 48.3195 0.0000 175.5071 128 V 3.5580 7.6458 120.0816 65.4052 31.9729 177.9559 129 I 3.8469 7.9717 119.5192 64.3741 36.9037 178.1710 130 A 3.8505 9.0915 121.5726 55.3046 17.9934 179.3493 131 D 4.0012 8.2022 117.1698 57.0403 40.7630 179.4222 132 V 3.4938 7.6079 118.7238 65.8511 31.5528 178.0795 133 F 3.9998 8.1082 116.9494 60.7195 38.9197 177.5773 134 I 3.4912 8.2498 119.7505 63.8155 36.6539 177.9469 135 Q 4.0665 7.6131 120.0534 58.2694 29.2826 177.7043 136 V 3.5244 7.6801 119.2099 66.1492 31.0572 177.9159 137 E 3.8380 8.5988 118.4315 59.0757 29.1795 178.7652 138 A 4.2408 7.6065 120.3108 55.7904 18.4273 179.3615 139 D 4.2292 8.3066 116.8062 57.4791 40.6744 179.1991 140 L 3.9238 7.9201 118.7215 57.9768 41.5559 178.9745 141 Y 4.3177 9.3135 116.4012 61.1353 37.6418 178.0991 142 A 4.0611 8.6660 121.3830 55.5643 18.5463 179.0548 143 Q 4.1406 8.5961 115.4167 57.5265 29.5299 177.4644 144 A 4.4380 7.8498 122.7082 51.6607 18.5674 177.3613 145 V 3.9370 7.5656 126.8313 64.7056 31.5748 173.2918 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 L 8.17 4.29 0.00 1.60 1.61 0.84 0.70 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 3 D 8.18 4.38 0.00 2.93 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 4 Q 8.89 3.89 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 5 Q 8.10 3.98 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 6 T 7.38 3.78 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 7 I 8.01 3.56 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.90 0.00 0.00 8 N 10.13 4.26 0.00 2.88 2.85 0.00 0.00 6.71 7.19 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 9 I 8.88 3.67 1.88 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.96 0.00 0.00 10 I 8.04 3.16 1.69 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.35 0.23 0.00 0.00 11 K 7.98 4.00 0.00 1.70 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 12 A 8.17 4.18 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 13 T 8.23 4.37 4.54 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 1.36 0.00 0.00 14 V 7.74 3.75 2.22 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 1.13 0.00 0.00 1.41 0.00 0.00 15 P 0.00 4.40 0.00 2.23 2.10 0.00 3.83 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 2.16 2.18 0.00 16 V 7.75 3.58 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 0.92 0.00 0.00 1.00 0.00 0.00 17 L 8.19 4.00 0.00 1.72 1.40 -0.64 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 K 9.23 3.82 0.00 1.87 2.09 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 19 E 8.54 3.98 0.00 1.89 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 1.98 2.20 0.00 20 H 8.15 4.84 0.00 3.32 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.85 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 22 V 7.90 3.77 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 1.07 0.00 0.00 0.94 0.00 0.00 23 T 7.83 4.03 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 1.21 0.00 0.00 24 I 7.71 4.04 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.79 0.00 0.00 25 T 8.68 4.13 4.56 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 1.47 0.00 0.00 26 T 8.68 3.97 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 1.24 0.00 0.00 27 T 9.02 3.88 4.44 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 1.23 0.00 0.00 28 F 8.97 3.98 0.00 2.96 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 29 Y 8.10 3.28 0.00 2.98 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 30 K 7.76 3.98 0.00 1.91 1.90 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 31 N 7.82 4.24 0.00 2.85 2.91 0.00 0.00 6.70 6.02 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 32 L 7.27 3.54 0.00 0.55 0.71 0.58 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.31 4.49 0.00 3.09 2.89 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 34 A 8.12 4.10 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 35 K 8.06 4.11 0.00 1.50 1.71 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.67 7.81 36 H 7.97 4.93 0.00 3.26 3.19 0.00 5.66 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 37 P 0.00 4.31 0.00 2.17 2.16 0.00 3.60 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 2.13 2.18 0.00 38 E 8.27 4.11 0.00 2.17 2.14 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 2.36 2.42 0.00 39 V 7.94 4.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.23 0.00 0.00 40 R 7.89 4.12 0.00 1.95 1.86 0.00 3.22 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.99 0.00 41 P 0.00 4.35 0.00 2.05 2.13 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 42 L 8.05 4.07 0.00 1.41 1.51 0.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.08 4.43 0.00 3.27 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 *53 Q 8.69 3.94 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 54 P 0.00 4.27 0.00 2.59 2.41 0.00 3.46 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 55 K 8.59 4.04 0.00 1.79 1.95 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 56 A 7.99 4.49 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 57 L 7.91 3.90 0.00 1.87 1.69 -0.16 0.84 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 58 A 7.83 3.84 1.17 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 0.00 0.00 59 M 7.91 4.00 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.75 0.00 60 T 8.39 4.00 4.49 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 1.38 0.00 0.00 61 V 7.88 3.71 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 1.35 0.00 0.00 1.09 0.00 0.00 62 L 8.44 4.14 0.00 1.91 1.77 0.90 0.77 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 63 A 8.69 4.08 1.42 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 0.00 0.00 0.00 64 A 8.42 4.14 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 65 A 8.21 4.00 1.63 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 66 Q 8.07 4.14 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.38 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 67 N 7.86 4.99 0.00 2.99 2.77 0.00 0.00 6.52 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.86 3.81 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.89 0.00 0.00 69 E 7.95 4.43 0.00 1.97 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 0.00 2.21 2.24 0.00 70 N 8.04 5.01 0.00 2.68 2.62 0.00 0.00 7.07 6.25 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 71 L 7.87 3.99 0.00 1.69 1.67 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.14 0.00 2.12 2.08 0.00 3.56 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 2.09 2.13 0.00 73 A 7.94 4.01 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 74 I 7.85 4.06 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.09 0.91 0.00 0.00 75 L 7.88 3.82 0.00 1.79 1.71 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.29 0.00 2.00 2.09 0.00 3.73 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 2.00 2.12 0.00 77 A 7.80 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.93 3.22 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.28 0.00 0.00 79 K 8.13 4.03 0.00 1.83 1.81 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.56 7.81 80 K 7.97 4.13 0.00 2.04 1.92 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 81 I 7.74 3.70 2.23 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.66 0.94 0.00 0.00 82 A 7.90 4.32 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 83 V 7.32 3.53 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 1.08 0.00 0.00 0.95 0.00 0.00 84 K 7.86 3.96 0.00 2.05 1.86 0.00 1.92 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.54 7.81 85 H 8.35 4.24 0.00 3.41 3.41 0.00 5.64 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 86 C 8.53 4.10 0.00 2.78 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 87 Q 8.22 4.11 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 88 A 7.83 4.55 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 89 G 7.88 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 90 V 8.16 3.80 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 0.73 0.00 0.00 0.82 0.00 0.00 91 A 8.70 4.92 1.17 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 0.00 0.00 92 A 9.01 4.38 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 93 A 7.94 4.23 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 94 H 8.67 4.46 0.00 3.21 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.87 4.00 0.00 3.37 3.19 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 96 P 0.00 4.41 0.00 2.22 2.17 0.00 3.83 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 97 I 7.71 3.71 1.46 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.87 0.00 0.00 98 V 7.59 3.68 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 1.07 0.00 0.00 0.90 0.00 0.00 99 G 8.02 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 0.00 0.00 0.00 100 Q 8.25 3.91 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 101 E 8.28 3.96 0.00 1.95 1.70 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 2.36 2.14 0.00 102 L 8.30 3.83 0.00 1.27 1.47 0.52 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.12 4.08 0.00 1.77 1.71 1.09 1.23 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 0.00 104 G 7.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.99 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.89 3.45 1.87 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.49 0.69 0.00 0.00 107 K 7.94 3.90 0.00 1.86 2.06 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 108 E 8.33 3.97 0.00 2.17 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 2.32 2.50 0.00 109 V 7.87 3.86 1.93 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 0.73 0.00 0.00 0.70 0.00 0.00 110 L 7.73 4.05 0.00 1.55 1.81 0.94 1.17 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 0.00 111 G 8.34 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 0.00 112 D 9.07 4.35 0.00 2.68 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 0.00 113 A 7.96 4.03 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 0.00 114 A 7.17 4.34 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 0.00 115 T 7.40 4.23 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 1.30 0.00 0.00 116 D 8.67 4.39 0.00 2.80 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 D 8.06 4.68 0.00 2.78 2.72 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 0.00 118 I 7.27 3.95 2.13 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 1.60 1.21 1.13 0.00 0.00 119 L 8.02 4.14 0.00 1.91 1.77 0.94 1.16 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 0.00 120 D 8.15 4.41 0.00 2.72 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 0.00 121 A 7.84 4.00 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 0.00 122 W 8.13 3.76 0.00 3.76 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 0.00 123 G 8.53 3.70 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 0.00 0.00 0.00 124 K 8.44 4.00 0.00 1.82 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.59 7.81 125 A 7.99 3.93 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 0.00 126 Y 8.46 4.13 0.00 3.28 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 0.00 127 G 8.03 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 0.00 128 V 7.65 3.56 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 129 I 7.97 3.85 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.14 1.05 0.00 0.00 130 A 9.09 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.20 4.00 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 132 V 7.61 3.49 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 0.80 0.00 0.00 0.91 0.00 0.00 133 F 8.11 4.00 0.00 3.12 3.32 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 0.00 134 I 8.25 3.49 1.68 0.00 0.00 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 0.91 -0.36 0.83 0.00 0.00 135 Q 7.61 4.07 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 136 V 7.68 3.52 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 0.85 0.00 0.00 0.85 0.00 0.00 137 E 8.60 3.84 0.00 2.22 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 2.30 2.36 0.00 138 A 7.61 4.24 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 0.00 139 D 8.31 4.23 0.00 2.84 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 0.00 140 L 7.92 3.92 0.00 1.57 1.47 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 9.31 4.32 0.00 3.17 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 0.00 142 A 8.67 4.06 1.39 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 0.00 0.00 143 Q 8.60 4.14 0.00 2.02 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.61 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 144 A 7.85 4.44 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 0.00 145 V 7.57 3.94 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 0.74 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.