NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3990 8.3349 115.2893 58.1644 64.3401 174.4375 -1 N 4.4253 7.9152 115.9180 52.7212 40.4712 174.6881 0 A 4.6227 8.1125 129.6075 51.9120 18.3291 180.2957 0 G 4.2627 8.2025 114.6075 44.5120 0.0000 177.3957 3 K 4.2785 8.5299 123.7084 54.3852 34.2513 175.2699 4 V 4.8308 9.0353 126.2182 60.8776 34.3497 173.8322 5 L 5.2456 9.1522 130.4842 53.5699 44.1808 174.9273 6 V 4.8909 9.1670 127.5633 61.4878 33.3753 174.0520 7 I 5.1907 8.8936 129.0017 59.3485 40.8563 173.7323 8 Y 5.2545 8.2292 125.9472 55.5501 41.6875 173.6071 9 D 4.9527 8.3640 120.6692 53.3883 43.8189 175.0835 10 T 4.6757 8.0871 114.3389 61.3547 69.7245 173.3442 11 R 4.2679 8.8517 124.7365 58.0803 30.3675 177.2894 12 T 4.4123 7.7108 105.1293 59.8414 70.4529 174.2255 13 G 4.0865 8.3073 110.0209 45.9491 0.0000 176.0494 14 N 4.3025 7.7638 117.0299 56.7980 38.6252 176.8509 15 T 4.1012 7.8854 112.9292 66.3427 69.1448 175.7211 16 K 3.2378 8.1223 122.3417 59.2426 32.3487 180.0827 17 K 3.8417 8.0959 116.5989 56.6674 31.4691 178.7014 *19 A 4.0031 8.1058 124.1766 52.2246 20.5594 179.8812 20 E 3.9473 7.9299 115.4737 59.4053 29.3828 179.5276 21 L 3.9303 7.5880 119.3102 57.4353 41.6716 179.5044 22 V 4.0465 7.6897 118.8962 65.4205 31.4412 177.8380 23 A 3.9862 7.9119 120.4186 55.0567 17.9985 179.1674 24 E 3.9466 8.1625 117.0538 59.2147 29.8073 178.6826 25 G 3.9071 8.3625 106.0503 48.1266 0.0000 175.4541 26 A 4.1285 8.1036 123.5313 54.7402 18.2211 179.9015 27 R 4.0148 7.9662 115.5380 58.7925 30.1374 178.9829 28 S 4.4540 7.5740 113.5532 59.5604 63.1099 173.9448 29 L 4.1377 7.5264 125.1265 53.6964 41.3456 175.5025 30 E 3.8086 8.6649 125.6198 58.3687 29.7678 177.6624 31 G 3.8713 8.8846 110.0099 46.5407 0.0000 172.6842 32 T 5.0012 7.4732 115.5710 61.3922 70.7035 173.4591 33 E 4.7552 8.7585 126.8851 54.6219 32.0024 174.4426 34 V 5.1950 8.5474 125.5287 61.2559 34.7516 174.4215 35 R 4.5997 9.4649 126.6142 54.2377 32.7887 174.4690 36 L 5.2677 8.5962 125.7703 53.3836 43.9119 175.4751 37 K 4.8941 9.1682 125.7637 54.5600 36.4263 175.8792 38 H 3.4180 8.9249 123.9864 55.1896 30.3949 176.3747 39 V 3.0499 7.5946 125.4623 64.9214 30.9613 178.3798 40 D 4.3383 7.6169 118.3905 56.3013 40.9756 176.9036 41 E 4.0630 7.8934 119.2463 58.0241 30.0048 176.8419 42 A 4.3804 7.1339 120.4490 52.0073 19.0183 176.3437 43 T 4.9097 8.6969 109.7542 58.7007 72.1153 175.3764 44 K 3.8085 8.5672 121.7426 60.2462 32.2617 179.0001 45 E 4.0935 8.1818 119.4635 59.1992 29.3888 178.4706 46 D 4.4294 7.9634 119.3504 57.3961 40.6197 179.1160 47 V 3.7399 7.3127 117.3616 65.9426 31.7176 177.6715 48 L 4.1651 7.7615 117.5945 57.7219 41.5048 179.1048 49 W 4.2302 8.3799 127.3060 59.2369 31.0974 176.6548 50 A 3.9584 7.4338 121.1820 52.2409 18.7266 176.8887 51 D 4.4603 9.0067 123.0034 56.1671 42.3355 176.9870 52 G 4.6161 7.8801 103.7745 44.3640 0.0000 171.6239 53 L 5.5791 9.3348 121.9130 52.5950 45.7707 175.2226 54 A 5.2554 9.3090 125.4255 50.2223 21.7985 175.3567 55 V 4.7469 8.8492 122.9443 61.0161 34.2432 174.5995 56 G 3.6059 8.2831 114.8031 44.5095 0.0000 171.6116 57 S 5.0775 7.8657 115.7160 55.4045 66.2059 171.4553 58 P 4.7054 0.0000 0.0000 63.1441 32.1443 176.2224 59 T 4.0466 9.1436 118.9323 63.3652 69.3810 174.9173 60 N 4.9508 9.0118 127.6086 53.0332 39.3537 176.8599 *62 G 3.9047 8.0818 105.2733 44.9112 0.0000 172.8499 63 L 4.7857 7.5962 118.8218 52.1050 45.9254 175.6783 64 V 3.6809 7.9355 120.0571 62.8845 32.0143 176.2834 65 S 4.4703 8.3411 120.1859 57.4504 63.7687 174.5738 66 W 4.4233 8.6663 118.4415 59.6019 28.3524 178.3692 67 K 3.7127 6.5008 117.4261 56.3487 30.9436 178.7450 *69 K 4.3236 8.1884 122.2172 56.5795 33.9858 177.7691 70 R 4.0609 8.5620 118.8764 59.1979 29.8794 178.2044 71 F 4.0321 8.3682 120.5966 61.3626 38.8740 177.2096 72 F 3.8487 8.5989 116.8792 60.5844 38.6270 177.3688 73 D 4.5015 8.6037 117.8079 57.0662 40.7633 177.5641 74 D 4.7292 8.2833 117.5193 55.4191 42.2463 178.2775 75 V 3.5847 7.2756 117.6099 65.7447 31.9101 177.4864 76 L 4.2135 7.5337 118.2228 55.7107 41.0486 178.9855 77 G 3.9042 7.5374 103.6303 48.2138 0.0000 175.4130 78 D 4.5893 8.0561 119.4624 56.7845 41.3451 177.8755 79 L 4.5388 8.0883 118.2623 54.5124 41.7409 176.6086 80 W 4.4401 7.4574 129.4668 58.6271 30.8817 175.9399 81 G 3.4590 8.4745 114.5864 44.8680 0.0000 173.4918 82 E 4.6796 8.0420 115.6575 55.7940 29.9039 176.0031 83 I 4.6990 7.4892 111.6784 60.7971 38.3092 174.8555 84 D 4.8723 8.0848 120.4558 56.9202 41.0928 177.4444 85 G 4.0788 8.9545 110.6230 45.3040 0.0000 173.9498 86 K 4.1076 7.4073 119.3644 56.1993 33.5689 175.8298 87 I 5.0804 8.2627 122.9790 59.8791 39.5091 174.8405 88 A 5.4710 9.2692 127.3665 51.0058 23.4596 174.5687 89 C 4.6914 9.0654 113.2176 57.0399 33.6383 172.3318 90 A 5.4380 8.3567 118.4411 50.7063 22.6580 175.0254 91 F 5.1473 8.4540 113.1601 56.2701 41.9865 173.1367 92 S 5.5678 8.9612 112.0747 58.4496 66.4362 173.3828 93 S 5.2862 8.6191 120.3045 56.5076 65.3454 172.7379 94 S 4.9007 8.4709 120.4225 56.0699 66.0614 175.1743 95 G 3.6333 8.7539 108.1429 48.2117 0.0000 173.9636 96 G 4.0654 7.2612 106.1435 43.7906 0.0000 172.4944 97 W 4.2745 8.3272 121.4238 57.9650 29.4882 176.9456 98 G 3.9997 9.3455 110.7206 45.7790 0.0000 174.0147 99 G 3.7545 7.5947 107.0984 44.8931 0.0000 174.8495 100 G 4.2362 8.3337 110.0013 45.6684 0.0000 175.7039 101 N 4.4908 8.2427 121.9697 55.0722 37.0368 176.7936 102 E 4.0835 8.0849 119.9478 59.0928 29.8011 178.7514 103 V 3.6684 7.7062 116.9748 65.6827 31.9593 177.5075 104 A 4.3127 8.1650 122.1803 54.6876 18.1610 179.6275 105 C 3.8913 7.7559 113.9557 60.8384 28.5919 176.1205 *107 S 4.4136 8.0913 117.5946 58.4933 64.6496 175.9909 108 I 3.4233 7.8550 120.9606 64.2697 36.9536 177.2412 109 L 4.1129 8.0850 119.1974 58.2983 41.4796 179.0357 110 T 4.1169 7.1511 110.7139 62.5641 66.8352 174.3224 *112 L 4.1140 7.8597 117.4218 54.1713 43.1185 178.3823 *114 N 4.7082 8.2321 118.7714 53.6829 40.4582 174.6818 115 F 3.9652 7.9678 114.1732 57.1177 38.9871 176.2351 116 G 3.9752 8.0110 108.2160 46.5063 0.0000 173.6717 117 F 5.1486 7.8720 117.1619 57.2947 40.2209 174.8772 118 L 4.5333 9.0260 122.2831 54.2035 42.5449 176.4874 119 V 5.7926 8.7039 116.8652 59.1922 34.7808 174.7339 120 F 4.9641 8.2603 115.9445 56.3357 40.8073 173.1147 121 G 4.7780 8.6105 107.4954 42.7193 0.0000 171.7230 122 V 4.6024 8.2199 118.0673 61.0859 33.7430 177.1075 123 T 4.0900 8.8235 117.1809 64.1969 69.3102 174.9622 124 D 3.7725 7.9796 120.2106 54.8180 41.4859 175.5605 125 Y 4.6108 8.5740 121.8268 56.8379 38.8851 176.5606 126 V 4.3261 8.6793 124.0471 61.6257 33.2093 175.6299 127 G 4.5760 7.6764 107.8114 43.6392 0.0000 173.3338 128 K 4.0135 8.9327 120.9599 58.8518 32.0870 177.5862 129 K 4.8642 8.0047 116.5560 55.8602 33.2432 175.7101 130 F 4.2575 8.6426 121.0178 56.6977 41.7106 173.0891 131 T 4.6916 7.1454 122.6469 61.4617 70.4508 173.0023 132 L 4.5763 7.6927 116.6176 54.4635 40.4471 176.5142 133 H 4.1758 8.1038 117.4840 58.7643 29.0630 176.9047 134 Y 4.5575 9.0583 113.1210 57.1426 39.0853 174.9454 135 G 4.4969 7.9565 106.1279 43.6203 0.0000 172.4249 136 A 4.3067 8.2019 122.7569 51.9681 19.2828 177.1441 137 V 5.5524 8.3876 114.8670 58.7325 35.7771 175.2164 138 V 4.6305 8.0658 121.5032 61.4925 35.4757 172.8387 139 A 4.3526 7.7993 127.3728 51.0157 19.5456 178.2829 140 G 3.6390 8.7972 112.4999 46.1945 0.0000 172.8600 141 E 4.0808 8.6111 124.0187 54.6762 30.4103 175.1138 142 P 4.3961 0.0000 0.0000 63.4051 30.9003 175.3917 143 R 4.3866 8.7908 122.8681 57.5945 31.9338 178.3429 144 S 4.3648 7.8828 111.9861 57.4857 65.3433 174.3584 145 E 3.8392 8.6482 123.6346 59.7296 29.2770 179.1530 146 E 3.8974 7.8807 116.8630 59.2358 29.6907 178.7552 147 E 3.7521 7.5172 119.2181 59.1206 29.5387 179.4622 148 K 4.0494 8.2167 118.8276 59.3774 32.0731 179.1116 149 E 3.9141 8.3148 119.4730 58.8927 29.5750 178.3939 150 A 4.0826 8.4538 121.4551 55.5559 18.5028 179.5074 151 C 3.9552 7.7107 113.4458 62.9640 28.2436 176.3920 152 R 4.0136 7.7756 119.5680 59.4104 29.6657 179.0337 153 R 3.8130 8.3813 118.7276 59.1443 29.9222 177.9620 154 L 4.0669 7.8897 120.2397 58.4673 41.9756 179.4017 155 G 3.5582 7.9563 104.8428 47.5385 0.0000 175.1652 156 R 3.8849 8.0173 121.1189 59.5114 30.0471 178.6634 157 R 3.6154 8.2452 119.9841 58.3592 29.9550 178.0214 158 L 4.1147 8.2893 120.3065 58.3923 42.0591 178.9975 159 A 3.9905 8.1951 120.7025 55.0976 18.0274 179.4742 160 E 3.7460 8.1912 117.3517 59.3019 29.3726 179.6729 161 W 4.5798 8.1601 119.4622 59.6746 29.0324 178.6577 162 V 3.6376 8.1601 118.1946 66.1460 30.9067 177.9982 163 A 3.9501 8.2093 120.5312 55.0364 18.1566 179.7690 164 I 3.6031 7.7808 118.2743 64.5600 37.0611 178.4763 165 F 4.6371 7.9674 116.8478 58.9820 39.1162 177.1306 166 V 4.2043 7.8038 110.6274 62.6598 32.9765 176.7694 167 D 4.3047 8.0304 117.9553 55.1762 41.3314 176.9523 168 G 4.1417 8.2440 105.5035 45.7488 0.0000 174.8576 169 R 4.2836 7.9024 119.6806 55.6901 27.4777 177.5926 170 K 3.9160 7.9835 120.5352 59.2549 32.7541 179.5211 171 E 4.1256 8.0854 117.0417 59.0651 29.5951 178.9044 172 L 4.0686 7.9429 119.9800 57.0031 41.5351 179.0533 173 L 3.9956 7.4511 119.4293 58.3142 42.2116 178.7087 174 E 3.9728 8.1162 118.7127 58.8194 29.4203 178.1244 175 K 3.8243 7.4353 117.7186 59.8729 32.3833 178.4378 176 I 3.8295 7.8816 119.7466 64.4929 36.7887 178.7630 177 R 4.0657 8.1085 117.8599 58.3446 29.9861 178.2089 178 K 4.6653 7.6270 115.0191 55.1580 32.8401 176.3693 179 D 4.4384 7.6385 120.8081 53.5357 41.6654 174.7441 180 P 4.3819 0.0000 0.0000 65.6177 31.2829 178.0180 181 A 4.0828 8.0283 120.8051 54.6190 18.5995 178.6726 182 R 3.7275 7.7346 114.7782 57.7965 30.1295 176.1762 183 F 4.9164 7.5872 115.7607 55.2580 40.8693 175.0074 184 V 3.8277 8.4693 124.6090 63.0462 31.2389 175.7908 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 S 8.33 4.40 0.00 3.84 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 -1 N 7.92 4.43 0.00 2.82 2.86 0.00 0.00 6.86 6.46 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 A 8.11 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 G 8.20 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 3 K 8.53 4.28 0.00 1.13 0.74 0.00 1.28 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.84 7.81 4 V 9.04 4.83 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 1.04 0.00 0.00 0.96 0.00 0.00 5 L 9.15 5.25 0.00 1.97 1.66 1.01 0.72 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 6 V 9.17 4.89 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 1.26 0.00 0.00 1.02 0.00 0.00 7 I 8.89 5.19 1.83 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.00 1.01 0.00 0.00 8 Y 8.23 5.25 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.36 4.95 0.00 2.48 2.46 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 10 T 8.09 4.68 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 1.38 0.00 0.00 11 R 8.85 4.27 0.00 1.97 2.04 0.00 3.03 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 12 T 7.71 4.41 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 1.21 0.00 0.00 13 G 8.31 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.76 4.30 0.00 2.61 3.04 0.00 0.00 6.99 7.42 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 15 T 7.89 4.10 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 1.29 0.00 0.00 16 K 8.12 3.24 0.00 1.78 1.86 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.13 1.32 7.81 17 K 8.10 3.84 0.00 2.03 1.76 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 *19 A 8.11 4.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.93 3.95 0.00 2.11 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 0.00 2.26 2.30 0.00 21 L 7.59 3.93 0.00 1.51 1.61 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.69 4.05 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 1.19 0.00 0.00 0.07 0.00 0.00 23 A 7.91 3.99 1.40 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 0.00 0.00 0.00 24 E 8.16 3.95 0.00 2.01 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 0.00 2.29 2.30 0.00 25 G 8.36 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 26 A 8.10 4.13 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 27 R 7.97 4.01 0.00 1.80 2.01 0.00 3.18 0.00 0.00 3.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 28 S 7.57 4.45 0.00 3.97 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.53 4.14 0.00 1.61 1.57 0.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.66 3.81 0.00 1.97 1.89 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 2.32 2.33 0.00 31 G 8.88 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 32 T 7.47 5.00 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 1.27 0.00 0.00 33 E 8.76 4.76 0.00 2.15 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 2.65 2.44 0.00 34 V 8.55 5.19 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 0.96 0.00 0.00 1.00 0.00 0.00 35 R 9.46 4.60 0.00 1.56 1.68 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.20 0.00 36 L 8.60 5.27 0.00 1.67 1.60 1.06 0.59 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 37 K 9.17 4.89 0.00 1.51 1.50 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.43 7.81 38 H 8.92 3.42 0.00 2.89 2.96 0.00 5.81 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.59 3.05 1.65 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 0.28 0.00 0.00 0.64 0.00 0.00 40 D 7.62 4.34 0.00 2.72 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 41 E 7.89 4.06 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 42 A 7.13 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.70 4.91 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 1.23 0.00 0.00 44 K 8.57 3.81 0.00 1.94 2.01 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.54 7.81 45 E 8.18 4.09 0.00 2.10 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 2.42 2.49 0.00 46 D 7.96 4.43 0.00 2.88 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 47 V 7.31 3.74 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 0.88 0.00 0.00 1.04 0.00 0.00 48 L 7.76 4.17 0.00 1.95 1.81 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.38 4.23 0.00 3.36 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.43 3.96 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 51 D 9.01 4.46 0.00 2.56 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 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2.81 0.00 0.00 6.52 8.44 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 *62 G 8.08 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 63 L 7.60 4.79 0.00 1.83 1.50 0.93 0.70 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 64 V 7.94 3.68 2.03 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 0.67 0.00 0.00 0.90 0.00 0.00 65 S 8.34 4.47 0.00 3.88 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 66 W 8.67 4.42 0.00 3.55 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 67 K 6.50 3.71 0.00 1.55 1.42 0.00 1.26 0.00 0.00 1.38 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.34 0.21 7.81 *69 K 8.19 4.32 0.00 2.03 2.15 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.80 7.81 70 R 8.56 4.06 0.00 2.29 2.25 0.00 3.30 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 71 F 8.37 4.03 0.00 3.29 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 72 F 8.60 3.85 0.00 3.33 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 D 8.60 4.50 0.00 2.72 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 74 D 8.28 4.73 0.00 2.77 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 75 V 7.28 3.58 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 0.38 0.00 0.00 0.81 0.00 0.00 76 L 7.53 4.21 0.00 1.70 1.46 -0.04 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.54 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 78 D 8.06 4.59 0.00 2.69 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 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0.00 0.00 1.00 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 0.63 1.20 0.00 0.00 88 A 9.27 5.47 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 89 C 9.07 4.69 0.00 2.52 1.65 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 0.00 0.00 0.00 0.00 90 A 8.36 5.44 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.45 5.15 0.00 3.19 3.06 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 92 S 8.96 5.57 0.00 3.84 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 93 S 8.62 5.29 0.00 3.92 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 94 S 8.47 4.90 0.00 3.79 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 95 G 8.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 124 D 7.98 3.77 0.00 2.55 2.55 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 0.00 125 Y 8.57 4.61 0.00 3.24 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 0.00 126 V 8.68 4.33 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 0.88 0.00 0.00 0.92 0.00 0.00 127 G 7.68 4.58 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 0.00 0.00 0.00 128 K 8.93 4.01 0.00 1.78 1.94 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 129 K 8.00 4.86 0.00 1.79 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.43 7.81 130 F 8.64 4.26 0.00 3.09 2.85 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 0.00 131 T 7.15 4.69 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 0.51 0.00 0.00 132 L 7.69 4.58 0.00 1.88 1.74 1.00 0.72 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 0.00 133 H 8.10 4.18 0.00 2.88 2.64 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 9.06 4.56 0.00 3.03 3.04 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 0.00 135 G 7.96 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.20 4.31 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 0.00 137 V 8.39 5.55 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 0.66 0.00 0.00 1.05 0.00 0.00 138 V 8.07 4.63 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 1.11 0.00 0.00 1.11 0.00 0.00 139 A 7.80 4.35 0.39 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 0.00 140 G 8.80 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 0.00 0.00 0.00 141 E 8.61 4.08 0.00 2.17 1.85 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 2.28 2.28 0.00 142 P 0.00 4.40 0.00 2.19 2.10 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 143 R 8.79 4.39 0.00 1.82 1.98 0.00 3.16 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 144 S 7.88 4.36 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.65 3.84 0.00 2.04 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 2.35 2.40 0.00 146 E 7.88 3.90 0.00 2.01 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 2.03 1.47 0.00 147 E 7.52 3.75 0.00 2.05 2.03 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 2.29 1.87 0.00 148 K 8.22 4.05 0.00 1.73 1.81 0.00 1.62 0.00 0.00 1.54 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.64 7.81 149 E 8.31 3.91 0.00 2.18 2.03 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 2.28 2.35 0.00 150 A 8.45 4.08 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 0.00 151 C 7.71 3.96 0.00 3.16 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 0.00 152 R 7.78 4.01 0.00 2.00 1.93 0.00 3.29 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 153 R 8.38 3.81 0.00 1.94 2.04 0.00 3.26 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 154 L 7.89 4.07 0.00 1.81 1.72 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 155 G 7.96 3.56 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 0.00 156 R 8.02 3.88 0.00 2.03 1.98 0.00 3.34 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 157 R 8.25 3.62 0.00 1.81 1.89 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.00 158 L 8.29 4.11 0.00 2.19 1.94 1.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.20 3.99 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 0.00 160 E 8.19 3.75 0.00 1.68 1.58 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 2.14 2.27 0.00 161 W 8.16 4.58 0.00 3.24 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 0.00 162 V 8.16 3.64 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 0.97 0.00 0.00 1.02 0.00 0.00 163 A 8.21 3.95 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 0.00 164 I 7.78 3.60 1.22 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 1.52 0.99 -0.11 0.00 0.00 165 F 7.97 4.64 0.00 3.15 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 0.00 166 V 7.80 4.20 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 0.73 0.00 0.00 0.89 0.00 0.00 167 D 8.03 4.30 0.00 2.60 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 0.00 168 G 8.24 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 0.00 169 R 7.90 4.28 0.00 1.89 1.94 0.00 3.10 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 170 K 7.98 3.92 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 171 E 8.09 4.13 0.00 2.14 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 2.33 2.32 0.00 172 L 7.94 4.07 0.00 1.88 1.68 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.45 4.00 0.00 1.93 1.69 0.99 0.98 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 0.00 174 E 8.12 3.97 0.00 2.13 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 0.00 2.39 2.44 0.00 175 K 7.44 3.82 0.00 1.81 1.96 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.47 7.81 176 I 7.88 3.83 1.97 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.46 0.78 0.00 0.00 177 R 8.11 4.07 0.00 1.85 2.07 0.00 3.34 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 178 K 7.63 4.67 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.58 7.81 179 D 7.64 4.44 0.00 2.90 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 0.00 180 P 0.00 4.38 0.00 2.34 2.34 0.00 3.77 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 181 A 8.03 4.08 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 0.00 182 R 7.73 3.73 0.00 1.61 1.27 0.00 3.02 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 183 F 7.59 4.92 0.00 2.98 2.96 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 0.00 184 V 8.47 3.83 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 0.79 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.