NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 I 4.2077 8.0244 118.5507 59.7005 37.0922 174.4261 3 E 4.6938 8.4489 125.1744 53.6627 32.7872 172.2939 4 T 4.8557 8.6648 121.3998 61.6979 73.6772 172.1362 5 A 4.4389 8.6818 127.5767 50.8636 19.8277 177.0627 6 I 3.8050 8.1550 125.0225 60.3282 38.0950 174.8064 7 P 4.2520 0.0000 0.0000 62.8451 31.8554 177.5980 8 Q 4.0711 8.6939 122.1318 58.5762 28.9746 178.6279 9 S 4.1417 7.9772 111.5413 60.7247 63.1491 174.7315 10 E 4.2461 7.7833 118.4259 57.1632 29.6083 175.9794 11 M 5.2101 7.9388 118.9037 53.4198 34.3103 175.5912 12 T 4.7997 8.2254 109.2482 60.0216 72.5323 172.4655 13 A 5.2558 8.5198 124.1477 50.5627 22.5173 175.2120 14 S 4.6673 8.7427 112.7651 57.0534 66.2907 172.8906 15 A 5.0543 8.2606 126.0354 50.5387 21.7520 176.2418 16 T 4.2300 8.5667 109.4075 63.6320 69.8333 175.2282 17 S 4.7595 8.2132 116.2771 56.6325 65.4711 172.6716 18 E 5.0474 8.6102 124.4806 54.7785 32.4285 174.5047 19 E 3.9083 9.1945 124.9345 55.6461 30.3960 177.5201 20 G 3.6876 8.6331 114.9107 48.8994 0.0000 174.6041 21 Q 3.9799 7.6751 119.4938 57.8328 29.7404 175.7227 22 D 5.2066 8.0422 117.5114 51.0527 40.8179 173.4490 23 P 4.8952 0.0000 0.0000 61.7280 33.2293 177.9485 24 A 3.9406 9.7619 121.9027 55.7390 18.1523 180.3705 25 S 4.1906 8.1001 111.6750 61.3239 62.9169 176.1465 26 S 4.4148 8.0633 116.9715 60.0232 62.9383 175.4143 27 A 4.5632 8.1839 124.1052 53.2999 18.1702 177.7448 28 I 4.7790 7.6328 110.8530 60.9150 38.0070 175.6922 29 D 4.6916 8.5697 117.9349 53.7585 39.7872 176.5434 30 G 3.8688 8.3125 107.1825 45.8463 0.0000 172.9264 31 N 4.9099 8.1754 119.0262 51.3255 40.5264 175.0347 32 I 4.0589 8.4160 118.6501 62.3041 38.1996 176.3127 33 N 4.6114 8.9616 118.8359 54.4880 38.9299 174.8488 34 T 4.8717 7.6466 109.5825 59.9349 70.9091 173.5531 35 M 5.1837 8.4672 120.6379 53.1302 35.4872 173.8931 36 W 5.0621 9.4357 130.6361 57.6206 32.4186 174.5621 37 H 4.6687 8.2339 125.3670 54.5633 33.1971 172.9943 38 T 4.7387 7.8310 116.1529 60.9303 70.1212 174.0678 39 K 4.3186 8.6077 121.4947 56.4414 33.0103 178.2852 40 W 4.1874 9.2572 124.5948 59.7325 28.7903 176.8547 41 N 4.6309 8.4801 113.6057 52.9784 37.0013 175.8769 42 G 3.9610 8.5991 107.0324 46.7159 0.0000 175.2814 43 S 4.3023 7.6676 113.3394 60.0285 63.4149 174.4728 44 D 4.6792 7.7618 121.1442 51.9324 39.3990 175.3540 45 A 4.1018 7.9871 125.1208 51.6512 19.3191 177.9993 46 L 4.3606 8.1650 120.8672 53.7707 42.4536 175.4269 47 P 5.3964 0.0000 0.0000 62.8869 32.1048 175.4258 48 Q 5.0258 8.7980 120.0941 54.4028 33.8098 173.9248 49 S 5.2563 9.1155 114.1988 56.8419 67.4044 172.4350 50 L 4.5600 8.7764 122.6662 53.2392 44.5336 175.0480 51 S 5.1152 9.0400 122.8252 56.7995 65.5548 173.3439 52 V 4.6131 8.9031 124.2757 60.9716 34.1347 173.9485 53 N 4.8708 8.9416 127.8038 53.5453 39.7290 175.3272 54 L 4.2531 9.2983 125.1745 55.1062 42.1120 176.1106 55 G 4.2291 9.8879 108.3147 45.3039 0.0000 173.1913 56 K 4.4366 7.3213 115.9794 54.8501 35.5226 174.0081 57 A 4.2197 8.4715 121.0125 52.3005 18.5454 177.3759 58 R 4.7051 8.8891 121.2069 54.4801 34.4827 175.3672 59 K 4.8696 9.4276 121.2570 54.9607 33.3137 174.7085 60 V 4.5197 9.1802 119.3198 60.4659 32.6463 176.9341 61 S 4.7949 9.2591 120.4417 59.6562 64.9757 173.8611 62 S 5.2033 7.9294 113.2115 57.6496 66.2921 173.5942 63 I 5.2405 9.0388 120.9622 59.7080 41.3809 174.1397 64 A 4.9414 9.0747 128.8496 50.4053 21.2500 175.5027 65 I 4.1340 8.7579 125.0472 60.1974 38.8998 175.3534 66 T 4.4422 8.7163 126.1350 61.7546 69.3859 173.6175 67 P 5.0121 0.0000 0.0000 61.4507 32.4456 176.5443 68 R 4.0184 8.7691 117.1320 56.9006 29.4938 177.8095 69 T 3.6761 8.5012 115.7796 64.3612 67.7714 173.7448 70 S 4.4746 7.5480 113.7286 58.0275 65.5337 174.2825 71 G 3.9507 8.6844 112.0562 45.4626 0.0000 172.8350 72 N 3.1400 7.7760 113.2878 51.5236 38.9670 174.3003 73 N 4.4625 7.7049 116.8356 55.3267 38.8208 174.9981 74 G 4.2958 9.4564 111.9374 45.7245 0.0000 172.2209 75 F 4.7742 8.0017 119.2472 58.2138 39.9734 174.7903 76 I 4.6742 8.8151 125.8141 61.6928 37.1996 176.0007 77 T 5.0268 9.2333 117.2081 61.3857 71.3817 174.4480 78 K 5.0310 8.0262 123.0229 54.6043 35.6506 174.6854 79 Y 5.4366 8.1253 124.0227 55.5821 42.1766 173.6314 80 E 4.9845 9.0609 118.1016 54.7052 34.5307 174.8064 81 I 5.1569 9.2738 123.4109 60.0222 40.6009 174.2749 82 H 5.4342 9.1834 123.5496 53.9013 32.2052 172.8872 83 A 5.1526 8.9591 123.0773 50.2414 22.3738 175.3797 84 I 4.7925 8.6282 121.7242 59.5531 40.0254 174.6510 85 N 5.0100 9.3522 126.9090 51.8588 41.8701 173.8520 86 N 4.2501 9.5000 127.9497 55.1986 38.2592 175.2907 87 G 4.0698 7.7446 103.6276 44.1420 0.0000 173.3442 88 V 3.9336 8.2785 120.8954 62.5411 33.4628 175.0214 89 E 5.0889 8.6724 128.5594 55.1433 31.2092 174.9013 90 T 4.6740 8.7960 120.8239 60.2069 71.3405 172.4384 91 L 4.3878 8.7398 131.5366 55.4772 42.1039 176.5850 92 V 4.6292 9.0770 124.1480 61.2790 33.1979 175.3577 93 A 4.9278 7.7902 121.7881 51.2472 22.4556 174.9839 94 E 4.4922 7.6578 115.6617 54.9043 32.6653 176.8164 95 G 3.6610 5.3800 106.4023 46.4924 0.0000 171.2692 96 T 5.0672 8.1302 117.9699 61.5640 72.0380 173.6750 97 W 5.2922 9.3225 124.8955 54.7452 32.4213 175.4466 98 E 4.2037 8.9428 122.0552 56.4016 29.8764 177.6524 99 E 4.4296 8.5126 122.8222 54.5542 28.0148 174.7733 100 N 4.7644 7.0434 118.1032 51.9306 40.5669 174.7131 101 N 4.3571 8.2155 113.0002 52.3709 37.5688 175.0931 102 L 4.0156 7.5049 119.2065 54.4633 42.2212 177.0593 103 V 3.5816 8.1539 122.1773 63.7926 32.2007 175.0267 104 K 4.3048 8.5708 127.2097 54.7440 33.7594 175.3762 105 T 4.9670 8.3085 115.2329 60.0180 71.3707 174.1296 106 V 4.3740 8.6519 122.9292 61.5542 34.5319 174.1837 107 T 4.8519 8.3769 123.8402 61.6815 71.4122 173.8464 108 F 4.7206 9.2188 125.3573 55.9712 39.7430 175.1656 109 D 4.4770 9.1449 124.5001 57.2581 40.7780 177.8716 110 S 4.5685 7.9275 115.5370 56.4970 63.1095 172.2825 111 P 4.7374 0.0000 0.0000 62.6471 31.8511 176.0027 112 I 4.2518 8.4486 118.3212 59.5314 39.7604 174.6114 113 D 5.0500 8.5664 125.2773 54.2376 41.6557 175.6766 114 A 4.6593 8.9222 123.7538 51.2618 22.7761 176.4771 115 E 4.6167 9.4402 121.3437 56.6272 31.3422 175.6469 116 E 5.1350 7.7957 119.1227 54.8838 33.5432 173.6644 117 I 5.1012 8.9822 125.5827 59.3421 41.7113 174.2839 118 K 4.9131 9.0684 126.5979 54.8073 35.1210 174.6834 119 I 4.7690 8.8050 129.3990 60.3883 39.0670 174.7552 120 T 5.0052 8.9261 124.5834 61.8623 70.8636 173.7782 121 A 4.4953 9.2664 129.6849 51.0700 19.3908 177.6759 122 I 3.8930 8.8041 124.0109 64.6905 37.9283 177.1872 123 Q 4.6678 7.8927 118.9932 54.4330 33.3905 174.4619 124 G 4.6046 8.2890 106.8528 45.1691 0.0000 173.0672 125 V 3.9919 8.5711 122.0924 62.5391 31.9483 177.7782 126 G 3.8838 9.0420 110.7441 45.3078 0.0000 174.0139 127 G 3.5512 7.9558 106.9725 45.7967 0.0000 173.1636 128 F 4.8830 7.6655 117.3590 55.1014 42.1670 173.8597 129 A 5.2766 8.2717 122.4951 50.4064 21.8839 175.5039 130 S 4.8964 8.9851 116.4896 56.6954 66.7659 173.9444 131 I 4.6779 8.9523 122.1267 60.2926 40.6023 175.7590 132 A 4.4804 9.0054 129.8606 53.7004 19.0804 177.5299 133 E 5.0080 7.9997 113.0031 54.8399 34.4409 174.4594 134 L 5.1443 8.8773 124.9547 53.4928 44.8785 175.3011 135 N 5.0793 9.0546 122.9342 51.3374 42.8024 173.5191 136 V 4.8600 7.7953 120.4411 61.3456 35.0204 173.6047 137 Y 5.1055 9.1846 125.0490 56.2166 41.2557 175.7294 138 E 4.8409 9.3816 121.7823 55.7543 29.5555 175.9413 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 I 8.02 4.21 1.87 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 1.30 1.21 0.91 0.00 0.00 3 E 8.45 4.69 0.00 1.95 1.79 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 2.32 2.46 0.00 4 T 8.66 4.86 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 5 A 8.68 4.44 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 6 I 8.16 3.81 1.76 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 1.19 0.52 0.86 0.00 0.00 7 P 0.00 4.25 0.00 2.15 1.97 0.00 3.56 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 2.24 2.09 0.00 8 Q 8.69 4.07 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 9 S 7.98 4.14 0.00 3.97 3.99 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 10 E 7.78 4.25 0.00 2.20 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 0.00 2.30 2.26 0.00 11 M 7.94 5.21 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.27 0.00 12 T 8.23 4.80 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 13 A 8.52 5.26 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 14 S 8.74 4.67 0.00 3.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.26 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.57 4.23 4.31 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 1.24 0.00 0.00 17 S 8.21 4.76 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.61 5.05 0.00 2.49 2.30 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 2.30 2.39 0.00 19 E 9.19 3.91 0.00 2.01 1.67 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 1.47 1.60 0.00 20 G 8.63 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 21 Q 7.68 3.98 0.00 1.75 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.27 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 22 D 8.04 5.21 0.00 2.76 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 23 P 0.00 4.90 0.00 2.28 2.23 0.00 3.81 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 24 A 9.76 3.94 1.23 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 0.00 0.00 25 S 8.10 4.19 0.00 4.07 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 26 S 8.06 4.41 0.00 4.27 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 27 A 8.18 4.56 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.63 4.78 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 1.35 0.91 0.95 0.00 0.00 29 D 8.57 4.69 0.00 2.79 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 30 G 8.31 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 31 N 8.18 4.91 0.00 2.65 2.79 0.00 0.00 6.98 7.70 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 32 I 8.42 4.06 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.92 0.00 0.00 33 N 8.96 4.61 0.00 2.87 2.93 0.00 0.00 6.80 7.51 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 34 T 7.65 4.87 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 35 M 8.47 5.18 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 36 W 9.44 5.06 0.00 3.43 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.23 4.67 0.00 3.09 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.83 4.74 4.36 0.00 0.00 0.00 0.00 0.00 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 39 K 8.61 4.32 0.00 2.01 2.02 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.63 1.52 7.81 40 W 9.26 4.19 0.00 3.17 3.10 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 41 N 8.48 4.63 0.00 2.98 3.14 0.00 0.00 6.21 7.30 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 42 G 8.60 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 43 S 7.67 4.30 0.00 4.09 4.05 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 44 D 7.76 4.68 0.00 2.77 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 45 A 7.99 4.10 1.23 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 0.00 0.00 46 L 8.16 4.36 0.00 1.66 1.88 1.03 1.18 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 47 P 0.00 5.40 0.00 2.12 2.09 0.00 3.33 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 48 Q 8.80 5.03 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 49 S 9.12 5.26 0.00 3.94 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 50 L 8.78 4.56 0.00 0.27 0.89 0.31 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.04 5.12 0.00 3.67 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 52 V 8.90 4.61 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 0.98 0.00 0.00 0.86 0.00 0.00 53 N 8.94 4.87 0.00 2.90 2.63 0.00 0.00 6.73 6.28 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 54 L 9.30 4.25 0.00 1.57 1.67 0.94 1.17 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 55 G 9.89 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 0.00 0.00 0.00 0.00 56 K 7.32 4.44 0.00 1.88 1.89 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 A 8.47 4.22 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 58 R 8.89 4.71 0.00 1.80 1.92 0.00 3.38 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 59 K 9.43 4.87 0.00 1.65 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.37 7.81 60 V 9.18 4.52 2.25 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 0.78 0.00 0.00 0.99 0.00 0.00 61 S 9.26 4.79 0.00 3.98 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 0.00 62 S 7.93 5.20 0.00 3.97 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 63 I 9.04 5.24 2.01 0.00 0.00 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 1.32 0.93 1.07 0.00 0.00 64 A 9.07 4.94 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 65 I 8.76 4.13 1.24 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.77 0.00 0.00 66 T 8.72 4.44 4.41 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 1.19 0.00 0.00 67 P 0.00 5.01 0.00 1.84 1.88 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 68 R 8.77 4.02 0.00 2.09 2.13 0.00 2.96 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 69 T 8.50 3.68 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 1.23 0.00 0.00 70 S 7.55 4.47 0.00 3.68 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.68 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 0.00 0.00 0.00 72 N 7.78 3.14 0.00 2.14 2.64 0.00 0.00 5.91 6.96 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 73 N 7.70 4.46 0.00 2.44 2.59 0.00 0.00 7.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.46 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 0.00 0.00 0.00 0.00 75 F 8.00 4.77 0.00 3.01 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 76 I 8.82 4.67 2.40 0.00 0.00 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 1.63 0.89 1.17 0.00 0.00 77 T 9.23 5.03 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 1.35 0.00 0.00 78 K 8.03 5.03 0.00 1.79 1.62 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.29 7.81 79 Y 8.13 5.44 0.00 2.81 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.06 4.98 0.00 1.97 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 2.12 2.18 0.00 81 I 9.27 5.16 2.09 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 1.41 0.96 1.10 0.00 0.00 82 H 9.18 5.43 0.00 3.13 3.18 0.00 5.76 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 83 A 8.96 5.15 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 84 I 8.63 4.79 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 1.10 0.52 0.90 0.00 0.00 85 N 9.35 5.01 0.00 2.83 2.60 0.00 0.00 6.38 5.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 9.50 4.25 0.00 2.79 2.82 0.00 0.00 7.04 7.94 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 87 G 7.74 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 88 V 8.28 3.93 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 0.89 0.00 0.00 0.92 0.00 0.00 89 E 8.67 5.09 0.00 2.01 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 2.24 2.31 0.00 90 T 8.80 4.67 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 1.24 0.00 0.00 91 L 8.74 4.39 0.00 1.59 1.53 0.74 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.08 4.63 2.02 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 0.90 0.00 0.00 0.74 0.00 0.00 93 A 7.79 4.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.66 4.49 0.00 1.70 1.68 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 2.04 2.21 0.00 95 G 5.38 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.13 5.07 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 1.27 0.00 0.00 97 W 9.32 5.29 0.00 3.55 2.87 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 98 E 8.94 4.20 0.00 1.87 1.88 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 2.35 2.40 0.00 99 E 8.51 4.43 0.00 2.04 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 2.50 2.41 0.00 100 N 7.04 4.76 0.00 2.65 2.71 0.00 0.00 6.31 8.04 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 0.00 101 N 8.22 4.36 0.00 2.96 3.11 0.00 0.00 6.02 7.79 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 0.00 102 L 7.50 4.02 0.00 1.60 1.51 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.15 3.58 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 0.66 0.00 0.00 0.86 0.00 0.00 104 K 8.57 4.30 0.00 0.79 0.74 0.00 0.98 0.00 0.00 1.13 0.00 0.00 2.68 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.84 0.21 7.81 105 T 8.31 4.97 4.17 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 1.11 0.00 0.00 106 V 8.65 4.37 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 0.66 0.00 0.00 1.11 0.00 0.00 107 T 8.38 4.85 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 1.23 0.00 0.00 108 F 9.22 4.72 0.00 2.89 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 0.00 109 D 9.14 4.48 0.00 2.71 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 0.00 110 S 7.93 4.57 0.00 3.91 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 0.00 111 P 0.00 4.74 0.00 1.96 2.04 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 112 I 8.45 4.25 1.59 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.55 0.64 0.00 0.00 113 D 8.57 5.05 0.00 2.55 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 0.00 114 A 8.92 4.66 1.19 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 0.00 115 E 9.44 4.62 0.00 1.87 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 2.25 2.29 0.00 116 E 7.80 5.13 0.00 1.98 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 2.26 2.47 0.00 117 I 8.98 5.10 1.89 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 1.13 0.62 0.99 0.00 0.00 118 K 9.07 4.91 0.00 1.78 1.66 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.35 7.81 119 I 8.80 4.77 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.94 1.14 0.00 0.00 120 T 8.93 5.01 4.33 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 1.28 0.00 0.00 121 A 9.27 4.50 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.80 3.89 1.96 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 1.23 0.59 0.90 0.00 0.00 123 Q 7.89 4.67 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 124 G 8.29 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.57 3.99 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 1.13 0.00 0.00 0.89 0.00 0.00 126 G 9.04 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 0.00 127 G 7.96 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 7.67 4.88 0.00 3.13 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 0.00 129 A 8.27 5.28 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 0.00 130 S 8.99 4.90 0.00 3.81 3.46 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 0.00 131 I 8.95 4.68 2.31 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 1.10 0.00 0.00 132 A 9.01 4.48 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 0.00 133 E 8.00 5.01 0.00 1.86 1.80 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 2.32 2.27 0.00 134 L 8.88 5.14 0.00 1.63 1.50 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 135 N 9.05 5.08 0.00 2.74 2.24 0.00 0.00 5.96 7.78 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 0.00 136 V 7.80 4.86 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 1.13 0.00 0.00 0.92 0.00 0.00 137 Y 9.18 5.11 0.00 3.02 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 0.00 138 E 9.38 4.84 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.