NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4057 8.3344 116.7994 57.8238 64.4147 173.2427 8 K 4.0375 7.9267 122.7900 54.9860 34.0687 176.2757 9 D 4.2353 9.2083 116.7672 58.2452 40.9015 177.5271 10 I 4.2642 5.4200 111.2202 61.8734 38.6168 177.8138 11 R 4.0593 7.6763 122.5642 59.5024 29.7416 176.8005 12 D 4.7322 7.5151 111.8536 53.5166 42.7622 175.0479 13 Y 4.6505 7.8868 117.7474 56.5319 39.4095 176.1793 14 S 4.8259 8.6592 120.1248 56.5923 66.5179 175.3700 15 G 3.7249 8.5171 107.3928 48.3251 0.0000 175.6590 16 L 4.0690 7.9030 121.6194 57.3097 41.4843 179.4258 17 E 4.0888 8.0083 117.3063 59.3895 29.3086 179.4260 18 L 4.0075 8.3720 119.1141 57.5888 41.6059 179.3309 19 A 3.9207 8.2347 120.9907 54.7990 18.3415 179.2843 20 F 4.1844 8.5989 119.6443 61.5034 39.4776 177.2202 21 L 3.9195 7.7973 119.7109 58.1432 41.9818 178.9931 22 G 3.6913 8.2217 105.8419 47.8425 0.0000 175.0482 23 D 5.0439 8.5879 121.4802 56.8527 41.2847 178.2887 24 A 3.9207 7.4469 119.8861 54.9871 18.3300 179.6040 25 I 3.5080 7.6668 118.3013 64.2114 37.1551 178.0712 26 W 4.2188 8.6866 129.3855 60.8654 30.4311 177.5721 27 E 4.0244 8.5117 118.2004 59.4623 28.8721 179.1173 28 L 3.9267 7.9477 120.0486 58.2512 42.1427 178.9389 29 E 3.8591 8.0630 118.2359 59.5989 29.5317 179.4668 30 I 3.6539 7.6551 119.9004 64.3712 37.0782 178.8326 31 R 4.0693 8.4245 119.4099 59.0720 29.6841 179.1178 32 K 3.9041 8.1691 117.7647 59.6147 32.1393 178.4289 33 Y 4.1220 7.7853 118.4075 60.8771 39.1658 177.2351 34 Y 4.3983 7.8297 115.8425 59.2508 37.9541 175.8421 35 L 4.5487 7.6094 121.3717 55.3554 43.2580 176.5364 36 Q 4.2899 7.3973 112.2738 55.0214 29.4538 175.3060 37 F 4.5918 7.7522 117.1107 56.6992 39.0535 176.0946 38 G 4.5766 8.0575 107.2079 46.5408 0.0000 174.0114 39 Y 4.4951 7.2251 115.9670 57.4176 38.5948 176.3754 40 N 4.7533 8.6114 119.8441 52.1792 40.0730 175.9202 41 I 3.8168 8.3480 122.7691 64.4662 37.0918 176.4169 42 P 4.1877 0.0000 0.0000 66.5115 30.9152 178.4516 43 T 3.4948 7.6426 114.9037 65.7740 68.3206 176.3025 44 L 3.8646 8.6114 123.2092 58.4483 41.9353 178.9651 45 N 4.3160 8.1443 116.2461 55.9479 38.2875 177.3876 46 K 3.7905 7.4032 121.2137 59.6848 32.0346 178.5869 47 Y 4.1264 7.1405 116.2096 60.7280 37.8309 178.5138 48 V 3.8706 7.3665 120.1712 64.8584 30.9130 178.7097 49 K 4.0037 8.3273 119.0564 58.4010 31.6063 178.4931 50 A 4.1419 7.5609 119.5485 53.0514 18.7460 177.7625 51 K 3.9007 7.9804 114.8540 55.8387 33.8030 177.2540 52 V 4.4672 7.8211 117.2868 62.3845 32.5747 176.7231 53 N 4.6461 7.6402 119.8302 52.4892 39.2727 175.8253 54 A 3.8455 8.4506 123.4626 55.0559 17.1629 179.8581 55 K 3.9618 8.1848 117.8319 60.0061 32.0626 178.1309 56 Y 4.3375 9.5010 120.5984 60.6010 38.7173 177.1969 57 Q 3.7924 8.3473 119.0547 59.0267 28.5458 179.3386 58 S 4.0443 8.1783 116.3934 61.5421 62.8131 176.7368 59 L 3.9530 7.2380 122.3368 58.9397 39.8086 179.3719 60 I 3.6111 7.0258 119.7985 64.0490 37.2294 177.5973 61 Y 4.0914 7.6373 120.3837 60.6231 38.6254 177.7657 62 K 4.0721 8.1548 117.7029 58.2083 32.2726 178.0482 63 K 4.3123 7.3849 118.9725 56.8057 32.6842 176.4460 64 I 4.5258 8.0921 109.1812 60.9810 39.8221 176.8483 65 I 3.2988 7.6810 121.6138 64.2768 37.4067 176.6444 66 N 4.4395 7.9257 113.2418 54.4373 38.4099 174.9746 67 D 4.8110 8.0571 117.7844 54.6482 43.4711 176.7631 68 L 4.1984 7.0919 118.2296 54.6454 42.2952 177.3305 69 D 4.5771 8.8870 120.2210 54.7181 42.6496 177.1643 70 E 3.9099 8.8415 120.7512 59.9664 29.5013 179.2367 71 E 3.7665 7.9568 118.0706 59.8530 29.6400 179.3371 72 F 4.6181 7.5087 117.3513 60.3819 38.9447 177.9825 73 K 4.1286 8.4829 118.8903 59.1997 31.7959 179.6290 74 V 3.6340 7.7360 118.2918 65.8382 31.7117 177.8123 75 I 3.8241 7.8569 119.7063 64.5310 36.8185 178.5569 76 G 3.7812 8.0795 104.8282 48.1348 0.0000 174.7572 77 K 3.8927 8.2406 121.9630 60.0017 31.8479 178.6903 78 R 3.9484 8.1977 116.9964 59.2395 29.4508 178.4210 79 A 4.1155 7.6537 120.1806 54.1664 18.8780 177.4662 80 K 4.2192 7.8106 117.4501 55.6692 32.0835 178.5821 81 N 4.4209 7.6039 115.9852 53.4018 40.6475 174.9425 *86 T 4.0473 8.0497 120.6276 62.2169 68.9198 173.0694 87 F 4.0646 8.1026 120.7785 56.9826 39.8325 174.1357 88 P 4.3007 0.0000 0.0000 62.8103 31.7400 176.6698 89 R 4.0045 8.5960 120.4079 59.1061 30.7915 177.6942 90 S 4.7456 7.3586 108.8858 55.9216 62.3727 171.3253 91 C 4.7973 7.1889 114.3131 58.4308 31.9286 173.7050 92 T 4.3525 7.8830 116.0910 62.7865 69.0196 176.8901 93 V 3.8749 8.3661 123.2424 63.2829 31.4323 177.9594 *95 E 4.4043 8.2899 118.6209 56.1571 31.6923 177.7359 96 Y 3.8363 8.2365 119.2391 60.3957 38.6278 178.3698 97 K 3.9720 8.0118 119.0180 59.6302 32.2535 179.2025 98 E 3.2717 7.9957 118.0500 59.0451 29.2655 179.0586 99 A 3.7553 7.9688 121.0368 55.4294 18.2750 179.8757 100 T 3.5964 7.4110 113.6062 66.4712 68.4528 176.7263 101 A 3.8149 7.8500 123.0781 54.9459 18.2417 179.4812 102 L 3.8943 7.9243 119.0026 58.5016 42.2600 179.0947 103 E 3.8387 8.0939 118.3488 59.1665 29.3124 179.2532 104 A 4.1058 8.5790 121.4478 55.1799 18.2321 179.7779 105 I 3.6704 7.6642 117.1002 64.5314 37.2895 178.2682 106 I 3.9221 7.6707 119.4087 64.5824 37.4527 178.1077 107 G 3.9299 8.4467 106.4532 47.8812 0.0000 175.6081 108 A 4.1756 7.7188 119.8868 52.6249 18.1698 178.5820 *110 Y 4.3564 7.7892 122.6784 59.1261 40.5183 177.3237 111 L 4.0867 7.8938 117.6573 57.9275 41.9781 178.1635 112 L 4.3193 8.4521 116.7424 54.2891 41.2242 178.3421 113 K 3.8019 7.9089 116.0984 57.0397 31.0580 177.2667 114 K 4.4073 7.7531 120.6918 56.1702 31.0981 177.8428 115 E 4.4814 7.7962 114.8522 56.5369 29.0062 177.7909 116 E 4.5239 7.8503 118.3085 56.2707 32.7047 176.5648 117 E 4.1481 8.0122 117.6282 58.0808 29.4144 179.1518 118 I 3.8216 7.5756 120.2866 64.2186 37.5402 177.7638 119 K 3.9550 8.0417 119.8497 59.4739 31.6530 178.2938 120 K 3.9869 7.6823 118.8673 58.8178 31.9267 178.4079 121 I 4.0469 7.2033 119.3521 63.8628 37.1998 178.2028 122 I 3.5246 8.1540 121.1775 64.3790 36.9372 178.1547 123 N 4.1600 8.2411 117.2987 56.3653 38.0607 177.4303 124 I 3.8322 7.1530 119.8377 63.8807 37.4829 178.1289 125 V 3.9465 7.8939 119.8515 65.5114 31.3786 178.0316 126 I 3.4494 7.3937 112.8186 62.8846 37.3824 176.9234 127 K 4.4875 7.7503 118.8364 56.8351 32.3546 177.8526 128 G 4.1969 7.9014 107.3384 46.1797 0.0000 173.3876 129 E 4.5583 7.6283 121.3794 57.2617 31.4956 175.8113 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 7 S 8.33 4.41 0.00 3.95 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 8 K 7.93 4.04 0.00 1.94 1.73 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.59 7.81 9 D 9.21 4.24 0.00 2.82 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 I 5.42 4.26 1.92 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 1.22 0.74 0.96 0.00 0.00 11 R 7.68 4.06 0.00 1.78 2.27 0.00 3.30 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 12 D 7.52 4.73 0.00 2.05 2.35 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 13 Y 7.89 4.65 0.00 3.22 2.90 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 14 S 8.66 4.83 0.00 4.11 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 15 G 8.52 3.72 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 0.00 0.00 0.00 16 L 7.90 4.07 0.00 1.76 1.75 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.01 4.09 0.00 2.45 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 0.00 2.39 2.39 0.00 18 L 8.37 4.01 0.00 1.89 1.91 1.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.23 3.92 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 20 F 8.60 4.18 0.00 3.23 3.30 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 21 L 7.80 3.92 0.00 1.75 1.72 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.22 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 23 D 8.59 5.04 0.00 3.05 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 24 A 7.45 3.92 1.18 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 0.00 0.00 25 I 7.67 3.51 2.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.43 0.96 0.00 0.00 26 W 8.69 4.22 0.00 3.48 3.25 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 0.00 27 E 8.51 4.02 0.00 2.31 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 2.48 2.54 0.00 28 L 7.95 3.93 0.00 1.74 1.82 0.91 0.80 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 29 E 8.06 3.86 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 30 I 7.66 3.65 1.87 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.03 1.14 0.00 0.00 31 R 8.42 4.07 0.00 2.06 2.00 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 32 K 8.17 3.90 0.00 1.80 1.85 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.65 7.81 33 Y 7.79 4.12 0.00 2.72 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 34 Y 7.83 4.40 0.00 3.20 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 35 L 7.61 4.55 0.00 1.82 1.63 0.95 0.71 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 36 Q 7.40 4.29 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 6.91 0.00 0.00 0.00 0.00 0.00 1.28 1.16 0.00 37 F 7.75 4.59 0.00 2.45 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 0.00 0.00 0.00 38 G 8.06 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 39 Y 7.23 4.50 0.00 3.00 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 40 N 8.61 4.75 0.00 2.96 2.97 0.00 0.00 5.97 7.68 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 41 I 8.35 3.82 1.86 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 1.70 1.16 0.90 0.00 0.00 42 P 0.00 4.19 0.00 2.18 2.27 0.00 3.57 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 2.15 2.03 0.00 43 T 7.64 3.49 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 44 L 8.61 3.86 0.00 1.84 1.91 1.12 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.14 4.32 0.00 2.86 2.79 0.00 0.00 6.65 7.40 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 46 K 7.40 3.79 0.00 1.55 1.48 0.00 1.51 0.00 0.00 1.49 0.00 0.00 2.48 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.35 7.81 47 Y 7.14 4.13 0.00 2.17 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 48 V 7.37 3.87 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 0.88 0.00 0.00 1.02 0.00 0.00 49 K 8.33 4.00 0.00 1.92 1.90 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 50 A 7.56 4.14 1.31 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 0.00 0.00 0.00 51 K 7.98 3.90 0.00 1.83 1.89 0.00 1.71 0.00 0.00 1.00 0.00 0.00 3.15 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.05 1.63 7.81 52 V 7.82 4.47 2.36 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 0.88 0.00 0.00 1.17 0.00 0.00 53 N 7.64 4.65 0.00 3.27 3.04 0.00 0.00 6.69 6.88 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 54 A 8.45 3.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.18 3.96 0.00 1.89 2.06 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.83 7.81 56 Y 9.50 4.34 0.00 3.05 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 57 Q 8.35 3.79 0.00 2.15 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 1.56 2.42 0.00 58 S 8.18 4.04 0.00 3.98 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 59 L 7.24 3.95 0.00 1.97 1.85 0.67 0.90 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 60 I 7.03 3.61 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.93 1.01 0.00 0.00 61 Y 7.64 4.09 0.00 2.83 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 62 K 8.15 4.07 0.00 1.77 1.87 0.00 1.95 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.86 7.81 63 K 7.38 4.31 0.00 2.03 1.85 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.54 7.81 64 I 8.09 4.53 1.81 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 1.43 0.96 0.93 0.00 0.00 65 I 7.68 3.30 0.56 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 1.10 1.00 0.59 0.00 0.00 66 N 7.93 4.44 0.00 2.70 2.81 0.00 0.00 6.68 8.06 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 67 D 8.06 4.81 0.00 2.67 2.65 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 68 L 7.09 4.20 0.00 1.80 1.79 0.90 0.97 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 69 D 8.89 4.58 0.00 2.67 2.48 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 70 E 8.84 3.91 0.00 1.92 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 2.40 2.32 0.00 71 E 7.96 3.77 0.00 1.77 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 1.96 2.30 0.00 72 F 7.51 4.62 0.00 3.31 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.48 4.13 0.00 1.94 1.89 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.78 7.81 74 V 7.74 3.63 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 1.09 0.00 0.00 1.01 0.00 0.00 75 I 7.86 3.82 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.27 1.00 0.00 0.00 76 G 8.08 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 77 K 8.24 3.89 0.00 2.04 2.06 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.52 7.81 78 R 8.20 3.95 0.00 2.05 2.08 0.00 3.15 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.68 0.00 79 A 7.65 4.12 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 80 K 7.81 4.22 0.00 1.87 1.79 0.00 1.69 0.00 0.00 1.48 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.24 1.44 7.81 81 N 7.60 4.42 0.00 2.84 2.73 0.00 0.00 7.18 7.54 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 *86 T 8.05 4.05 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 1.12 0.00 0.00 87 F 8.10 4.06 0.00 3.03 2.91 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 88 P 0.00 4.30 0.00 2.33 2.05 0.00 4.07 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 2.19 2.17 0.00 89 R 8.60 4.00 0.00 1.87 2.05 0.00 3.20 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 90 S 7.36 4.75 0.00 3.80 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 91 C 7.19 4.80 0.00 3.38 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.88 4.35 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 93 V 8.37 3.87 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 1.11 0.00 0.00 *95 E 8.29 4.40 0.00 2.27 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 2.31 2.30 0.00 96 Y 8.24 3.84 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.01 3.97 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 98 E 8.00 3.27 0.00 1.80 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 2.13 2.25 0.00 99 A 7.97 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.41 3.60 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 1.17 0.00 0.00 101 A 7.85 3.81 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 0.00 102 L 7.92 3.89 0.00 1.64 1.62 0.22 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.09 3.84 0.00 1.94 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 2.00 2.38 0.00 104 A 8.58 4.11 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 0.00 105 I 7.66 3.67 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.80 0.77 0.00 0.00 106 I 7.67 3.92 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.94 1.03 0.00 0.00 107 G 8.45 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.72 4.18 1.55 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 *110 Y 7.79 4.36 0.00 3.10 3.16 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 0.00 111 L 7.89 4.09 0.00 1.88 1.72 0.25 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.45 4.32 0.00 1.83 1.75 1.10 0.91 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 0.00 113 K 7.91 3.80 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.33 7.81 114 K 7.75 4.41 0.00 1.92 1.93 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.84 7.81 115 E 7.80 4.48 0.00 1.86 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 2.18 2.04 0.00 116 E 7.85 4.52 0.00 1.97 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 2.25 2.35 0.00 117 E 8.01 4.15 0.00 1.84 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 2.37 2.59 0.00 118 I 7.58 3.82 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.51 0.94 0.00 0.00 119 K 8.04 3.95 0.00 1.78 1.92 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 120 K 7.68 3.99 0.00 1.85 1.93 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 121 I 7.20 4.05 2.06 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 1.53 1.02 1.13 0.00 0.00 122 I 8.15 3.52 1.73 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.88 0.63 0.00 0.00 123 N 8.24 4.16 0.00 2.67 2.81 0.00 0.00 7.07 6.88 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 0.00 124 I 7.15 3.83 2.05 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 1.40 0.33 0.93 0.00 0.00 125 V 7.89 3.95 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 1.24 0.00 0.00 1.11 0.00 0.00 126 I 7.39 3.45 1.09 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.47 0.19 0.00 0.00 127 K 7.75 4.49 0.00 1.88 1.95 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.55 7.81 128 G 7.90 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 0.00 0.00 0.00 129 E 7.63 4.56 0.00 2.04 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 2.13 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.