NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9494 8.0549 120.3751 62.8060 32.6289 174.6642 4 M 4.3215 8.0894 125.6709 53.5341 35.4683 174.6506 5 Y 4.7142 8.8826 124.8922 57.1163 37.7992 174.5952 6 K 4.5779 8.1967 122.6279 57.6496 34.6415 176.8260 7 K 5.0221 9.0323 121.7569 54.6348 35.2802 175.1170 8 I 4.8766 8.8025 128.4478 59.4324 40.2105 174.2592 9 L 4.7998 8.8536 128.9856 53.8726 43.9230 174.4480 10 Y 5.1773 9.0887 129.3147 55.2164 39.9782 171.5099 11 P 4.8173 0.0000 0.0000 61.9215 32.4751 175.3671 12 T 4.2878 8.2984 119.8685 59.6916 69.8428 173.1731 13 D 4.3233 8.2259 125.3686 52.4344 39.8608 176.6538 14 F 4.0663 7.8103 116.7985 59.0702 37.0540 176.0032 15 S 4.6225 7.9943 116.7101 57.5601 65.3470 174.4618 16 E 4.0620 8.5582 120.8832 59.7725 29.1197 179.7137 17 T 3.9979 7.9229 115.2864 66.3089 68.6369 176.5794 18 A 4.0912 8.1003 122.9084 55.1236 18.1042 179.2972 19 E 4.0509 8.0548 117.3036 59.2977 30.0216 178.8123 20 I 3.8771 7.7218 119.8482 64.3407 37.1936 178.2416 21 A 4.0492 8.2161 121.6063 54.9477 18.1594 179.3600 22 L 3.3099 7.8874 119.0325 58.0089 42.0411 179.3862 23 K 4.0061 8.0052 118.5056 59.6663 31.6992 179.0339 24 H 4.2331 7.9808 115.3806 58.5665 28.9896 177.3193 25 V 3.5201 7.5436 120.1884 66.1224 31.2841 178.3637 26 K 4.3524 8.2032 117.7505 59.3503 31.6521 179.0921 27 A 4.1842 7.8691 119.9707 54.4006 18.3901 178.8153 28 F 4.1669 8.2347 114.7958 57.6073 39.5386 175.7580 29 K 4.1338 7.7281 121.3159 56.2578 32.9411 176.2995 30 T 4.8279 7.4298 116.0490 60.7073 70.6198 173.4426 31 L 4.1910 8.4653 118.6609 56.4329 42.2897 177.0514 32 K 4.2951 7.4490 117.3496 54.7623 33.1242 176.3056 33 A 4.1667 8.3539 123.8100 52.4306 18.9098 176.9044 34 E 5.1890 8.6646 121.4736 54.5851 34.3252 174.4028 35 E 5.3330 9.3960 121.9485 54.5632 33.6498 174.2764 36 V 4.5962 8.7173 126.0496 61.0898 34.5163 174.2762 37 I 4.6091 8.9756 129.6311 60.4202 38.3607 174.6150 38 L 4.9633 8.8311 131.2296 53.4747 43.4963 174.8595 39 L 5.2099 8.5868 128.5362 53.3953 45.6858 174.4094 40 H 5.0523 9.0555 125.2472 54.3306 32.7205 171.9680 41 V 4.5594 7.9232 125.6540 61.2889 33.1742 174.8864 42 I 4.0727 8.8612 129.8079 60.2694 38.4484 174.9502 43 D 4.8930 8.6603 128.1382 53.6190 41.4664 176.6683 44 E 4.0646 9.0776 127.0987 59.3353 29.3331 179.1348 45 R 4.0838 8.3099 118.0362 58.0572 30.2172 177.4725 46 E 4.4557 7.8997 116.5156 56.5349 29.9940 177.1426 47 I 4.3730 7.2943 119.6119 62.1977 38.4582 174.6414 48 K 3.7310 7.4259 120.8664 56.8512 31.9598 176.4032 *66 V 4.2049 8.2679 123.4455 62.7122 33.3917 177.2523 67 E 4.4574 7.9026 120.3894 58.1371 29.5936 177.9213 68 E 4.1547 8.1601 117.9764 58.5552 29.6660 178.6348 69 F 4.2524 8.0908 120.8803 61.0668 39.3507 176.8844 70 E 3.8126 8.1731 117.8368 59.5330 29.3033 179.0280 71 N 4.2928 7.9212 115.9392 56.2281 38.5993 177.0161 72 E 3.8429 8.0072 120.5643 59.1577 29.6414 178.6926 73 L 3.7126 7.6357 120.2058 57.9417 42.0442 178.7726 74 K 3.8320 8.5700 119.0074 59.7712 31.9590 178.9583 75 N 4.2873 8.4577 116.8026 56.1868 38.3811 177.4498 76 K 3.9111 7.9449 120.9598 59.4571 32.3069 178.8859 77 L 3.9963 8.2339 119.6670 58.0553 41.4903 179.6698 78 T 3.8854 8.2055 115.9959 66.4964 68.5290 176.2822 79 E 3.8914 8.4495 121.5609 59.4712 29.6628 178.8138 80 E 3.8803 8.5124 118.6655 59.1760 29.3964 179.1579 81 A 3.7839 8.4650 121.2188 55.1491 18.5142 179.8222 82 K 3.9036 8.1958 117.0104 59.6332 32.1088 179.4205 83 N 4.3028 7.9712 116.3590 56.2607 38.3890 177.7251 84 K 3.8334 7.7047 119.9050 59.5663 31.8963 179.4501 85 M 4.2181 8.2851 119.4161 58.1176 31.8876 178.2785 86 E 3.9401 8.2391 119.6578 59.5101 29.7884 178.7787 87 N 4.3997 7.7874 115.7335 56.2534 38.5121 177.5909 88 I 3.7891 7.6715 121.0914 64.1452 37.1293 178.1998 89 K 3.9011 8.4494 120.9514 59.6080 32.0113 178.7390 90 K 3.9713 8.0789 119.6915 59.4171 31.8349 178.4413 91 E 4.0851 8.3373 119.7506 59.1870 29.5310 178.8773 92 L 4.2444 8.3424 119.4218 57.8910 41.6742 179.2813 93 E 4.4050 8.5392 120.2044 58.9942 29.1827 179.0363 94 D 4.5137 8.6142 118.2774 56.4757 40.8917 178.1003 95 V 4.2464 7.1002 110.8103 60.7444 32.0223 176.3638 96 G 3.9467 8.1794 107.8247 45.0831 0.0000 173.9358 97 F 4.7578 8.1314 118.3625 56.6829 40.6779 174.6034 98 K 4.4568 8.9721 123.2215 55.9751 33.4025 175.5958 99 V 4.7502 8.4769 126.8428 60.9838 34.0629 174.4680 100 K 4.5334 9.1974 130.3953 54.7697 33.4192 174.1617 101 D 5.2056 8.5599 127.7909 52.6341 40.8957 175.9799 102 I 4.7126 8.9752 123.3833 59.4648 41.3369 174.2493 103 I 5.0982 8.4687 126.4628 59.6744 40.0021 175.2708 104 V 4.5411 8.4511 118.5003 59.6063 36.4143 174.3988 105 V 4.4524 8.1464 123.0827 61.4478 32.5758 175.5441 106 G 4.2608 8.1586 116.6822 46.3122 0.0000 171.5363 107 I 4.4847 7.5821 123.2318 59.0764 38.8743 173.8849 108 P 4.1697 0.0000 0.0000 66.1755 31.2993 178.3486 109 H 4.2231 8.1205 113.0305 58.6356 28.3835 177.3361 110 E 3.8471 7.6492 120.7912 59.3073 29.3514 178.9433 111 E 3.9352 8.2314 118.6214 59.3290 29.4537 179.5873 112 I 3.6847 7.8158 120.0407 64.1114 37.2479 178.5817 113 V 3.5526 7.7008 119.1319 65.8578 31.3283 177.9966 114 K 3.9173 8.1297 119.3760 59.7304 32.0024 178.8352 115 I 3.8001 8.1919 119.9996 63.7871 37.1291 178.2438 116 A 3.9612 8.0606 122.1102 54.9590 18.1663 179.3312 117 E 3.8598 8.0329 117.2888 59.7072 29.6082 178.8976 118 D 4.4329 8.2647 117.7430 56.7907 40.9424 177.6501 119 E 4.3545 8.4480 117.1275 55.1813 30.5049 176.0823 120 G 3.9418 7.8580 107.2698 46.5836 0.0000 174.3309 121 V 3.9668 7.5226 110.3801 61.2358 32.5795 176.5771 122 D 4.8111 8.8591 121.0165 55.9076 41.8794 176.8288 123 I 4.5647 7.5077 116.1713 60.0557 41.7396 172.8077 124 I 4.8737 8.4563 128.4272 59.6096 39.5149 174.5052 125 I 4.9201 8.4732 128.5421 59.6402 39.0865 174.8880 126 M 4.8567 8.8629 123.5491 53.7889 35.1395 174.4732 127 G 4.2650 8.5387 107.0457 45.8737 0.0000 174.0535 128 S 4.4757 9.1774 115.4428 60.6377 64.3843 173.6600 129 H 5.4160 8.0807 115.3065 54.2830 33.6789 173.0434 130 G 4.1604 7.8099 112.0013 44.6055 0.0000 175.6654 131 K 4.1615 8.8812 122.6778 59.1059 32.4520 178.6200 132 T 3.8954 8.0786 114.9660 66.5402 69.1814 174.5516 133 N 4.0896 8.0442 116.0699 54.3388 37.4423 173.6772 134 L 4.2175 7.3536 120.7773 54.2462 43.6803 176.5103 135 K 3.7768 9.0052 127.8080 59.7314 32.0239 177.4294 136 E 4.0455 8.1022 117.0420 58.5345 29.8392 176.6349 137 I 4.0782 7.4850 120.0494 60.9076 37.5654 175.6947 138 L 4.5759 8.3785 124.0142 54.7544 42.5503 176.3561 139 L 4.2107 7.4384 119.6853 53.4000 45.1549 174.9503 140 G 3.7752 8.6546 115.9996 45.4797 0.0000 174.5029 141 S 4.1877 8.4409 115.2601 60.5769 63.1325 177.0144 142 V 3.5272 7.5996 121.8997 66.3646 31.3594 177.9571 143 T 3.8311 7.7575 115.0333 66.3957 68.3075 176.1148 144 E 3.8741 8.1978 121.2596 59.3769 29.6710 178.7129 145 N 4.2444 8.2011 116.4509 56.2651 38.5272 177.5908 146 V 3.5810 8.0650 119.9513 66.0841 31.4015 177.9590 147 I 3.6855 7.7099 118.5172 64.5452 37.0374 178.2416 148 K 4.1536 7.9857 117.8819 58.3717 32.0150 178.6537 149 K 4.3116 7.9597 117.3441 56.5557 33.4399 177.0733 150 S 4.3938 7.8080 113.5052 57.8826 62.9631 173.1608 151 N 4.7938 8.5529 122.3416 52.5934 37.5473 175.0487 152 K 4.3789 7.7825 118.5270 55.1193 33.3920 174.9953 153 P 4.4550 0.0000 0.0000 63.0188 32.5950 175.3316 154 V 4.7843 8.2606 122.7140 61.0203 34.3160 174.2228 155 L 4.4063 8.9991 131.0884 53.8122 43.2196 175.2223 156 V 4.4557 8.3130 127.3712 61.9595 32.6121 174.9619 157 V 4.2641 8.4949 128.6719 61.0352 33.1198 175.3363 158 K 5.0106 8.8899 127.3403 55.2169 33.0690 176.8196 159 R 4.2373 8.4812 119.2522 55.7659 30.3533 176.3591 160 K 4.1715 8.4555 118.5382 56.6713 32.4778 177.4566 161 N 4.5310 8.5393 117.9875 55.4351 39.0822 175.7518 162 S 4.2968 8.0033 118.4141 58.7930 62.8642 173.9192 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 3 V 8.05 3.95 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 0.51 0.00 0.00 0.89 0.00 0.00 4 M 8.09 4.32 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 5 Y 8.88 4.71 0.00 3.23 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 6 K 8.20 4.58 0.00 1.90 1.91 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.46 7.81 7 K 9.03 5.02 0.00 1.82 1.65 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 8 I 8.80 4.88 1.69 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 0.96 0.60 0.69 0.00 0.00 9 L 8.85 4.80 0.00 1.71 1.50 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 9.09 5.18 0.00 2.83 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 11 P 0.00 4.82 0.00 1.94 1.91 0.00 3.94 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 1.84 1.87 0.00 12 T 8.30 4.29 3.38 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 0.88 0.00 0.00 13 D 8.23 4.32 0.00 2.82 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 14 F 7.81 4.07 0.00 3.21 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 15 S 7.99 4.62 0.00 4.19 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.56 4.06 0.00 2.02 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 2.43 2.36 0.00 17 T 7.92 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 1.27 0.00 0.00 18 A 8.10 4.09 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 19 E 8.05 4.05 0.00 2.15 2.31 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 2.36 2.40 0.00 20 I 7.72 3.88 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.10 0.97 0.00 0.00 21 A 8.22 4.05 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 22 L 7.89 3.31 0.00 1.71 1.86 0.66 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.01 4.01 0.00 1.94 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.63 7.81 24 H 7.98 4.23 0.00 3.22 3.38 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.54 3.52 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.29 0.00 0.00 26 K 8.20 4.35 0.00 2.04 1.92 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.64 7.81 27 A 7.87 4.18 1.43 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 28 F 8.23 4.17 0.00 3.25 3.29 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 0.00 29 K 7.73 4.13 0.00 1.34 1.67 0.00 0.72 0.00 0.00 0.85 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.19 7.81 30 T 7.43 4.83 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 1.25 0.00 0.00 31 L 8.47 4.19 0.00 1.64 1.74 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.45 4.30 0.00 1.77 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 33 A 8.35 4.17 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 34 E 8.66 5.19 0.00 2.31 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 0.00 2.46 2.24 0.00 35 E 9.40 5.33 0.00 2.06 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 2.22 2.43 0.00 36 V 8.72 4.60 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 0.86 0.00 0.00 -0.13 0.00 0.00 37 I 8.98 4.61 1.85 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 0.68 0.94 0.00 0.00 38 L 8.83 4.96 0.00 1.80 1.57 1.01 0.66 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 39 L 8.59 5.21 0.00 1.71 1.32 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 40 H 9.06 5.05 0.00 3.06 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.92 4.56 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 0.80 0.00 0.00 0.82 0.00 0.00 42 I 8.86 4.07 1.85 0.00 0.00 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 1.20 0.54 0.91 0.00 0.00 43 D 8.66 4.89 0.00 2.63 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 44 E 9.08 4.06 0.00 2.19 2.18 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 2.36 2.33 0.00 45 R 8.31 4.08 0.00 1.90 2.03 0.00 3.15 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 46 E 7.90 4.46 0.00 2.07 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 2.28 2.48 0.00 47 I 7.29 4.37 2.01 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 1.82 0.77 0.89 0.00 0.00 48 K 7.43 3.73 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.60 7.81 *66 V 8.27 4.20 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 1.00 0.00 0.00 0.90 0.00 0.00 67 E 7.90 4.46 0.00 2.10 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 2.38 2.27 0.00 68 E 8.16 4.15 0.00 2.11 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 2.42 2.39 0.00 69 F 8.09 4.25 0.00 3.10 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 70 E 8.17 3.81 0.00 2.31 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 2.42 2.42 0.00 71 N 7.92 4.29 0.00 2.74 2.85 0.00 0.00 6.73 7.74 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 72 E 8.01 3.84 0.00 2.16 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 2.22 2.28 0.00 73 L 7.64 3.71 0.00 1.31 1.50 0.82 0.44 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 74 K 8.57 3.83 0.00 1.88 1.83 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.61 7.81 75 N 8.46 4.29 0.00 2.80 2.84 0.00 0.00 6.72 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 76 K 7.94 3.91 0.00 1.80 1.87 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 77 L 8.23 4.00 0.00 1.83 1.73 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.21 3.89 4.37 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 1.21 0.00 0.00 79 E 8.45 3.89 0.00 1.99 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 2.27 2.33 0.00 80 E 8.51 3.88 0.00 2.12 1.87 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 2.27 2.47 0.00 81 A 8.46 3.78 1.47 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 0.00 0.00 0.00 82 K 8.20 3.90 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 83 N 7.97 4.30 0.00 2.80 2.77 0.00 0.00 7.01 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 84 K 7.70 3.83 0.00 0.79 1.01 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.08 7.81 85 M 8.29 4.22 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.05 0.00 86 E 8.24 3.94 0.00 2.18 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 0.00 2.30 2.40 0.00 87 N 7.79 4.40 0.00 3.02 2.85 0.00 0.00 7.06 7.36 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 88 I 7.67 3.79 1.99 0.00 0.00 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 1.55 0.86 1.10 0.00 0.00 89 K 8.45 3.90 0.00 1.90 2.01 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.14 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.50 7.81 90 K 8.08 3.97 0.00 1.96 1.95 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 91 E 8.34 4.09 0.00 2.21 2.20 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 2.34 2.38 0.00 92 L 8.34 4.24 0.00 1.96 1.84 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.54 4.40 0.00 2.17 2.04 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 2.51 2.38 0.00 94 D 8.61 4.51 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.10 4.25 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 0.82 0.00 0.00 1.01 0.00 0.00 96 G 8.18 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.13 4.76 0.00 3.17 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 98 K 8.97 4.46 0.00 1.92 1.76 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 99 V 8.48 4.75 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 0.87 0.00 0.00 1.00 0.00 0.00 100 K 9.20 4.53 0.00 1.83 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 101 D 8.56 5.21 0.00 2.74 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 0.00 102 I 8.98 4.71 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.89 0.00 0.00 103 I 8.47 5.10 1.89 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 1.43 0.65 0.95 0.00 0.00 104 V 8.45 4.54 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 0.94 0.00 0.00 105 V 8.15 4.45 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 0.92 0.00 0.00 106 G 8.16 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 0.00 0.00 0.00 0.00 107 I 7.58 4.48 1.77 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 1.60 0.69 0.79 0.00 0.00 108 P 0.00 4.17 0.00 2.11 2.03 0.00 3.56 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 2.07 2.08 0.00 109 H 8.12 4.22 0.00 3.30 3.52 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.65 3.85 0.00 2.03 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 2.25 1.94 0.00 111 E 8.23 3.94 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 112 I 7.82 3.68 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.86 0.00 0.00 113 V 7.70 3.55 2.20 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 0.99 0.00 0.00 1.00 0.00 0.00 114 K 8.13 3.92 0.00 1.89 1.96 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.46 7.81 115 I 8.19 3.80 1.93 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 1.43 0.59 0.88 0.00 0.00 116 A 8.06 3.96 1.36 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 0.00 0.00 117 E 8.03 3.86 0.00 2.11 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 0.00 2.30 2.39 0.00 118 D 8.26 4.43 0.00 2.66 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 0.00 119 E 8.45 4.35 0.00 1.99 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 2.42 2.45 0.00 120 G 7.86 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 0.00 0.00 0.00 121 V 7.52 3.97 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 0.70 0.00 0.00 0.99 0.00 0.00 122 D 8.86 4.81 0.00 2.81 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 0.00 123 I 7.51 4.56 2.03 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.34 0.79 0.00 0.00 124 I 8.46 4.87 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 1.20 0.45 0.92 0.00 0.00 125 I 8.47 4.92 1.70 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.22 0.73 0.00 0.00 126 M 8.86 4.86 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 127 G 8.54 4.27 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 0.00 128 S 9.18 4.48 0.00 3.88 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 0.00 129 H 8.08 5.42 0.00 3.06 3.23 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.81 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.88 4.16 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.43 7.81 132 T 8.08 3.90 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 1.22 0.00 0.00 133 N 8.04 4.09 0.00 2.96 2.78 0.00 0.00 6.92 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 0.00 134 L 7.35 4.22 0.00 1.77 1.53 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 135 K 9.01 3.78 0.00 1.74 1.85 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 136 E 8.10 4.05 0.00 1.97 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 2.30 2.34 0.00 137 I 7.49 4.08 2.06 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 1.31 0.94 0.97 0.00 0.00 138 L 8.38 4.58 0.00 1.63 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.44 4.21 0.00 1.50 1.45 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.65 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 0.00 141 S 8.44 4.19 0.00 4.01 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 0.00 142 V 7.60 3.53 2.04 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 1.11 0.00 0.00 0.90 0.00 0.00 143 T 7.76 3.83 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 1.17 0.00 0.00 144 E 8.20 3.87 0.00 2.00 1.90 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 2.27 2.33 0.00 145 N 8.20 4.24 0.00 2.86 2.70 0.00 0.00 6.71 7.24 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 0.00 146 V 8.06 3.58 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 1.09 0.00 0.00 0.98 0.00 0.00 147 I 7.71 3.69 2.00 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 1.51 0.77 0.90 0.00 0.00 148 K 7.99 4.15 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 149 K 7.96 4.31 0.00 1.84 1.86 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 150 S 7.81 4.39 0.00 3.80 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 0.00 151 N 8.55 4.79 0.00 2.85 2.89 0.00 0.00 6.10 7.13 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 0.00 152 K 7.78 4.38 0.00 1.79 1.79 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.55 7.81 153 P 0.00 4.45 0.00 2.17 2.07 0.00 3.67 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 2.38 2.17 0.00 154 V 8.26 4.78 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 0.75 0.00 0.00 0.98 0.00 0.00 155 L 9.00 4.41 0.00 1.67 1.38 0.92 0.75 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 0.00 156 V 8.31 4.46 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 0.79 0.00 0.00 0.91 0.00 0.00 157 V 8.49 4.26 2.04 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 0.95 0.00 0.00 0.70 0.00 0.00 158 K 8.89 5.01 0.00 1.69 1.74 0.00 1.88 0.00 0.00 2.61 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.23 7.81 159 R 8.48 4.24 0.00 1.78 1.96 0.00 2.92 0.00 0.00 2.76 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 160 K 8.46 4.17 0.00 1.77 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 161 N 8.54 4.53 0.00 2.71 2.87 0.00 0.00 6.98 7.57 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 0.00 162 S 8.00 4.30 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.