NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6142 8.2076 120.5284 54.4505 43.2818 177.5680 3 I 3.6172 7.6815 112.4007 63.3645 37.9580 176.6575 4 I 3.7722 8.6454 122.2702 64.3428 38.1695 178.2884 5 N 4.6343 8.1947 117.3593 55.8408 38.2638 176.4773 6 N 4.5678 8.4407 114.7858 53.8698 39.4995 175.1279 7 R 4.2442 7.9396 118.9214 56.8709 30.3610 175.7145 8 R 4.7377 8.4565 122.8237 54.0629 33.8251 175.4410 9 S 4.5205 8.6734 116.3987 58.6848 62.8117 173.9359 10 I 4.4821 8.4737 127.1735 59.7062 38.8607 175.9430 11 R 4.6146 8.2654 121.1609 54.6058 31.4781 174.3169 12 N 4.7490 6.9528 115.5679 51.7162 42.9444 173.0118 13 Y 5.3616 8.1355 118.6557 55.9097 42.7054 175.2623 14 K 4.3557 9.3478 121.9505 56.0530 32.7008 177.8984 15 G 3.7407 8.7586 110.5588 48.2964 0.0000 174.9159 16 K 4.1891 7.7987 118.1249 55.9974 33.3053 176.8586 17 K 4.2351 8.2959 119.8998 56.5650 33.3870 176.4786 18 V 4.0350 8.1010 120.0246 62.0021 32.2907 176.3438 19 E 4.1246 8.9445 126.9065 56.5021 31.2678 178.1930 20 K 3.9352 8.7080 122.2283 60.4403 32.5844 179.2714 21 E 3.9925 8.1418 119.0760 59.0088 29.3476 179.3482 22 K 3.9913 7.8448 118.1996 59.2885 32.2774 179.1400 23 I 3.5984 7.7979 120.1461 64.4261 36.9888 177.9516 24 E 3.8341 8.1682 119.8808 59.3221 29.3836 179.0031 25 K 3.9169 7.9481 118.2778 59.3534 32.0570 179.2548 26 L 3.8643 7.9871 119.3019 57.8581 41.3158 179.6682 27 L 3.4739 7.4198 117.6211 57.4236 41.5538 179.3300 28 R 3.9062 7.9469 117.4435 59.1174 30.0653 178.5860 29 A 4.0409 7.7837 119.2224 54.8750 18.6079 180.2071 30 A 3.7894 7.3617 116.4522 52.9307 18.3086 178.9218 *32 Q 4.1740 7.9888 117.3596 56.4328 30.6691 175.7852 33 A 4.1535 7.4053 121.5725 51.1849 18.9476 175.8972 34 P 4.6748 0.0000 0.0000 62.9669 32.4429 175.9841 35 S 4.7839 8.2578 112.0943 56.4525 65.9851 173.4606 36 A 4.1446 9.7498 126.6600 53.8672 18.4674 178.2634 37 G 3.7750 9.1276 109.6720 45.4360 0.0000 172.6969 38 N 4.1720 8.1914 115.2704 54.0456 37.8796 175.4855 39 Q 3.8650 8.0687 115.3066 56.7199 29.5471 175.8323 40 Q 2.0000 7.3690 116.9086 55.8825 26.3198 171.7094 41 P 4.4481 0.0000 0.0000 62.4279 33.1715 177.3648 42 W 4.7801 6.5054 117.7829 56.4780 29.2989 175.4439 43 E 4.7403 8.8070 120.9044 54.6540 33.5897 174.5577 44 F 5.2283 8.6296 119.6357 55.8745 42.9884 174.1177 45 I 4.3336 8.5745 124.0922 59.6181 39.1791 174.6372 46 V 4.6788 8.4092 127.3254 61.2994 32.8727 174.5989 47 L 4.9090 9.0915 128.4996 53.1451 44.1308 177.0172 48 E 4.6920 8.8867 120.5143 55.5547 31.4972 175.9512 49 D 4.5039 7.9568 119.5718 53.8362 41.8833 176.5486 50 R 3.9489 8.6345 127.3127 59.2151 30.1363 178.8144 51 E 3.9784 8.2673 118.3503 59.5606 29.4313 179.1283 52 N 4.4266 8.3428 116.0091 56.1118 38.4764 177.5049 53 I 3.7734 7.8784 120.9230 64.3903 37.3847 177.5695 54 D 4.5135 8.4504 119.1909 57.3350 41.0067 178.4237 55 K 4.1005 8.0983 119.0388 59.4462 32.0152 179.0548 56 L 4.0769 8.1941 120.8086 57.9173 41.7420 178.9423 57 S 4.3296 7.7272 113.3301 60.9769 62.3893 175.3125 58 N 4.6627 8.4017 119.3214 53.7455 38.5704 176.6945 59 F 4.4900 8.6577 117.6003 59.1811 38.3453 175.0551 60 S 4.4714 6.4804 110.5997 56.6130 65.6999 174.1305 61 K 3.9602 8.2885 118.8182 57.8753 31.9559 177.4560 62 Y 4.6496 7.6660 116.5586 57.8260 38.5749 175.7441 63 A 4.8590 7.6684 120.1040 51.8032 19.9137 178.8908 64 N 4.5267 8.2995 119.0126 57.2527 38.4009 177.0214 65 S 4.5004 8.1871 117.0542 60.8811 62.7405 176.3724 66 L 4.1897 8.2024 122.3739 57.3783 41.0808 179.3348 67 K 4.2113 8.1858 117.9786 58.3471 32.0063 177.5487 68 T 4.5646 7.6183 106.1609 60.8514 69.6410 174.0010 69 A 3.9304 7.7544 126.6919 51.6848 18.7737 176.0482 70 P 4.5898 0.0000 0.0000 64.1063 32.5537 176.0569 71 L 4.9710 7.6587 121.4440 53.5693 46.0170 174.4010 72 A 5.2540 9.1243 126.6613 50.1859 22.9589 174.7934 73 I 4.8450 8.7428 122.2066 59.4929 40.4382 174.8343 74 V 4.3753 8.8507 128.6844 61.8162 32.8815 174.5518 75 L 4.7733 8.8264 128.7437 53.6294 43.2865 175.8291 76 L 5.4015 8.7365 122.5261 52.8717 46.5457 175.2387 77 A 4.9672 8.8055 122.1832 50.1659 22.7136 174.6779 78 D 4.8684 8.5614 121.6178 52.7131 41.9911 176.7978 79 E 3.7759 9.0412 127.4429 59.6713 29.9984 179.7323 80 E 3.8634 8.6740 118.0755 58.4639 29.6287 177.5607 81 K 4.0869 7.4347 118.7169 54.9353 30.6852 176.0499 *83 K 4.3565 8.1930 122.4168 55.5611 33.7974 176.4956 84 I 4.5314 8.4469 120.0871 58.8854 37.2329 175.9357 85 S 4.3974 8.2752 118.3966 60.7670 63.4765 177.1921 86 E 4.1158 7.5051 118.6000 56.8227 28.2037 177.6685 *88 W 4.9863 8.0610 118.8818 56.5734 30.0300 177.2704 89 E 3.1299 7.2506 117.2040 58.9651 29.3547 178.3045 90 Q 4.1247 7.9781 117.5272 59.1407 29.1913 178.0766 91 D 4.5187 7.6389 113.9619 55.7171 41.0854 178.0558 *93 A 4.3772 8.0682 124.1790 52.2684 20.7896 179.6352 94 A 4.0186 8.3238 117.4383 55.2101 18.4006 179.7146 95 A 3.6887 8.0042 119.0775 55.0811 18.3704 179.6120 96 A 3.6686 7.6796 118.7463 55.2919 18.3329 179.3058 97 E 3.9992 8.3672 117.9373 59.5100 29.6185 178.7596 98 N 4.2954 8.2240 116.5592 56.2240 38.4857 177.3608 99 I 3.5802 7.6953 121.1179 64.3953 37.2126 178.4040 100 L 4.0282 8.0597 119.7810 57.8384 41.4043 179.7297 101 L 4.0082 8.1178 118.8862 57.8096 41.6307 179.1346 102 E 3.9252 8.4477 119.2577 59.0572 29.4260 178.5896 103 A 3.9444 8.3954 121.0262 55.2417 18.4939 179.4622 104 A 4.0675 8.0166 119.1986 55.5309 18.2270 179.1148 105 Y 4.1427 8.1221 117.1766 60.4911 38.8414 177.4249 106 L 4.3345 7.6688 117.2770 53.8595 41.8528 176.2900 107 D 4.4395 7.6701 116.9187 55.3366 38.8138 173.6429 108 L 4.3759 7.9185 118.5991 53.4156 43.8659 176.1213 109 G 4.4417 9.1733 107.7179 44.9791 0.0000 172.5205 110 A 5.5917 8.3910 122.7466 50.6810 23.4934 175.2712 111 V 4.8140 8.6960 117.9103 59.8541 35.3248 174.1014 112 W 4.7895 9.1060 133.8928 57.2360 31.6722 175.2051 113 L 4.8194 9.5677 128.6135 52.7850 42.7873 176.2860 114 G 3.8599 8.9611 111.4436 46.7647 0.0000 170.2985 115 A 4.8524 8.7182 122.5143 52.8110 21.8087 175.5503 116 Q 4.3208 8.4294 117.6018 55.6380 29.9023 175.1598 117 P 4.8551 0.0000 0.0000 62.7907 32.0430 175.8262 118 I 3.9160 8.0261 121.7145 61.6320 37.5712 175.9465 119 E 3.9874 8.8928 126.4850 59.4729 29.5714 178.3359 120 E 4.1018 8.1918 118.7646 59.1582 29.7779 178.9048 121 R 4.3974 7.9604 119.1692 58.7497 30.2634 178.9081 122 V 3.6825 8.0387 118.0669 65.9226 31.5113 177.8755 123 K 3.9480 8.5806 119.7400 59.7083 31.8144 178.3988 124 N 4.3867 8.1864 115.5131 56.4594 38.5557 177.1240 125 L 4.2816 7.9772 119.3396 57.6065 41.9613 179.2544 126 K 4.2465 8.3756 118.6814 59.4227 31.8608 179.3760 127 E 4.4438 8.2921 117.4893 56.7443 29.3234 178.2316 *129 F 4.6771 7.8422 115.3051 56.1725 40.8412 174.7756 130 N 4.2073 7.7793 116.6216 54.1747 36.4761 174.8613 131 L 4.2293 7.9878 116.6189 54.2569 42.8548 178.2198 132 K 4.2299 8.3820 121.5517 56.1968 32.7933 178.1855 133 S 4.1076 8.6909 117.5644 61.8451 62.9853 175.8769 134 N 4.6091 7.9648 115.4583 53.6949 37.5918 173.9871 135 I 4.5652 7.5183 120.8006 60.0342 38.1218 175.3347 136 K 4.4521 8.7554 128.3606 53.8096 33.6558 174.7114 137 P 4.5290 0.0000 0.0000 63.2051 31.8265 174.8914 138 F 5.0975 9.4641 125.2287 59.2408 41.5036 174.8823 139 C 4.9283 7.6945 110.3779 57.5513 33.1873 171.5736 140 V 4.7702 8.7097 118.4308 61.1019 34.3134 174.0611 141 I 5.1228 8.8830 128.6015 59.6343 39.5447 174.7379 142 S 5.0315 8.7219 122.2537 57.3522 64.8418 173.5177 143 V 4.7202 8.0883 121.5693 61.6002 35.4586 174.1566 144 G 3.8446 8.2243 112.3111 45.7891 0.0000 171.5457 145 Y 4.6370 8.3773 117.9265 56.8180 38.9149 174.1341 146 P 4.8353 0.0000 0.0000 62.9448 32.4627 175.2374 147 E 4.3728 8.7690 124.3498 55.8078 30.2314 174.8161 148 N 4.7489 9.2819 129.9300 54.3175 37.3407 175.6419 149 S 4.3438 7.7573 111.4676 58.6625 63.5209 173.3794 150 E 4.7665 8.2376 121.0389 54.6596 32.9818 176.2383 151 N 4.9979 8.8219 119.2380 51.6512 37.5252 174.3302 152 K 4.8072 8.1516 121.1102 54.3697 36.4835 175.7346 153 F 5.0387 8.8526 123.9514 57.7455 39.9828 174.4363 154 I 3.9445 8.2412 127.1944 59.2532 38.4968 174.8380 155 D 3.9983 7.8754 125.8269 53.7030 40.4001 175.6773 156 R 4.4207 8.3631 124.8864 55.6649 30.7681 176.8017 157 F 4.2907 8.2466 121.5350 58.3834 40.0080 174.2801 158 D 4.1423 7.5861 125.5956 52.1889 42.8182 175.5082 159 A 3.6803 7.9065 130.7068 54.5112 18.5918 179.2522 160 K 3.9723 7.9528 114.5929 58.8886 32.0797 178.1495 161 R 4.1396 7.6578 116.2651 56.6236 30.3006 176.0619 162 I 4.3216 7.2885 120.1293 59.7192 38.3658 174.6427 163 H 4.5969 8.6719 122.4383 53.8401 30.7043 173.5719 164 I 4.0855 8.2964 125.8925 61.0145 37.1558 175.3180 165 E 4.3104 9.2891 129.0187 56.3646 28.3921 174.9236 166 K 4.7243 7.4087 114.0820 54.6896 35.9163 175.3603 167 Y 3.9546 8.6213 119.4658 58.0008 38.6818 175.6899 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 D 8.21 4.61 0.00 2.75 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 3 I 7.68 3.62 1.94 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 1.44 0.95 1.10 0.00 0.00 4 I 8.65 3.77 1.87 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 1.44 0.55 0.95 0.00 0.00 5 N 8.19 4.63 0.00 2.68 2.46 0.00 0.00 7.06 6.92 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 6 N 8.44 4.57 0.00 2.87 3.00 0.00 0.00 6.58 7.66 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 7 R 7.94 4.24 0.00 1.98 1.94 0.00 3.31 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 8 R 8.46 4.74 0.00 1.86 1.80 0.00 3.56 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 9 S 8.67 4.52 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.47 4.48 2.05 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 1.31 0.81 0.85 0.00 0.00 11 R 8.27 4.61 0.00 1.76 1.87 0.00 3.37 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 12 N 6.95 4.75 0.00 2.39 2.51 0.00 0.00 6.81 7.48 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 13 Y 8.14 5.36 0.00 3.17 2.93 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 14 K 9.35 4.36 0.00 1.74 1.82 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.49 7.81 15 G 8.76 3.74 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 0.00 0.00 0.00 16 K 7.80 4.19 0.00 1.84 1.79 0.00 1.29 0.00 0.00 1.52 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.36 7.81 17 K 8.30 4.24 0.00 1.92 1.89 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 18 V 8.10 4.04 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 0.75 0.00 0.00 0.82 0.00 0.00 19 E 8.94 4.12 0.00 2.14 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 2.45 2.49 0.00 20 K 8.71 3.94 0.00 2.06 2.08 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.11 7.81 21 E 8.14 3.99 0.00 2.08 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 2.40 2.46 0.00 22 K 7.84 3.99 0.00 1.93 1.80 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.55 7.81 23 I 7.80 3.60 1.97 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 0.90 0.84 0.00 0.00 24 E 8.17 3.83 0.00 2.00 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 2.26 2.30 0.00 25 K 7.95 3.92 0.00 2.01 2.00 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 26 L 7.99 3.86 0.00 1.72 1.57 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.42 3.47 0.00 1.53 1.30 0.81 0.28 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 28 R 7.95 3.91 0.00 1.80 1.91 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 29 A 7.78 4.04 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 30 A 7.36 3.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 Q 7.99 4.17 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 33 A 7.41 4.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.67 0.00 2.25 2.12 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 35 S 8.26 4.78 0.00 4.01 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 36 A 9.75 4.14 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 37 G 9.13 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 0.00 0.00 0.00 38 N 8.19 4.17 0.00 2.79 2.82 0.00 0.00 7.09 6.56 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 39 Q 8.07 3.86 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.63 6.27 0.00 0.00 0.00 0.00 0.00 2.35 2.13 0.00 40 Q 7.37 2.00 0.00 1.78 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 41 P 0.00 4.45 0.00 1.92 2.04 0.00 2.55 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 42 W 6.51 4.78 0.00 2.53 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 43 E 8.81 4.74 0.00 1.68 1.72 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 2.10 2.30 0.00 44 F 8.63 5.23 0.00 2.81 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 45 I 8.57 4.33 1.45 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.37 0.75 0.00 0.00 46 V 8.41 4.68 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 0.77 0.00 0.00 0.90 0.00 0.00 47 L 9.09 4.91 0.00 1.65 1.58 1.04 0.87 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 48 E 8.89 4.69 0.00 1.92 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 2.18 2.24 0.00 49 D 7.96 4.50 0.00 2.73 2.60 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 50 R 8.63 3.95 0.00 1.91 1.99 0.00 3.21 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 51 E 8.27 3.98 0.00 2.24 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 2.34 2.36 0.00 52 N 8.34 4.43 0.00 2.89 2.90 0.00 0.00 7.13 7.39 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 53 I 7.88 3.77 1.91 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 1.45 0.66 1.04 0.00 0.00 54 D 8.45 4.51 0.00 2.80 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 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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 0.00 0.00 0.00 0.00 0.00 64 N 8.30 4.53 0.00 2.75 2.90 0.00 0.00 6.76 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 65 S 8.19 4.50 0.00 4.35 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 66 L 8.20 4.19 0.00 2.00 2.03 1.18 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.19 4.21 0.00 1.89 1.92 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.49 7.81 68 T 7.62 4.56 4.38 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 1.27 0.00 0.00 69 A 7.75 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.59 0.00 2.10 2.21 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 71 L 7.66 4.97 0.00 1.71 1.54 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.12 5.25 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 73 I 8.74 4.85 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.95 0.00 0.00 74 V 8.85 4.38 1.75 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 0.72 0.00 0.00 0.75 0.00 0.00 75 L 8.83 4.77 0.00 1.93 1.68 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.74 5.40 0.00 1.39 1.40 0.76 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.81 4.97 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 78 D 8.56 4.87 0.00 2.59 2.40 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 79 E 9.04 3.78 0.00 1.78 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 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0.00 0.00 7.12 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.98 4.28 0.00 1.70 1.82 0.62 0.53 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 0.00 126 K 8.38 4.25 0.00 2.00 1.90 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.68 7.81 127 E 8.29 4.44 0.00 2.15 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 2.34 2.52 0.00 *129 F 7.84 4.68 0.00 3.19 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 0.00 130 N 7.78 4.21 0.00 2.82 2.87 0.00 0.00 6.92 8.87 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 0.00 131 L 7.99 4.23 0.00 1.67 1.60 0.95 0.75 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 0.00 132 K 8.38 4.23 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.45 7.81 133 S 8.69 4.11 0.00 3.83 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 0.00 134 N 7.96 4.61 0.00 2.88 3.00 0.00 0.00 6.67 7.77 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 0.00 135 I 7.52 4.57 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.83 0.00 0.00 136 K 8.76 4.45 0.00 1.10 1.47 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.03 7.81 137 P 0.00 4.53 0.00 2.02 2.01 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 138 F 9.46 5.10 0.00 3.44 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 C 7.69 4.93 0.00 3.28 2.66 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 0.00 140 V 8.71 4.77 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 0.92 0.00 0.00 0.39 0.00 0.00 141 I 8.88 5.12 1.85 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 1.23 0.58 0.97 0.00 0.00 142 S 8.72 5.03 0.00 3.93 4.08 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 0.00 0.00 0.00 143 V 8.09 4.72 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 0.83 0.00 0.00 0.86 0.00 0.00 144 G 8.22 3.84 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 0.00 0.00 0.00 145 Y 8.38 4.64 0.00 3.00 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 0.00 146 P 0.00 4.84 0.00 2.24 2.10 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 147 E 8.77 4.37 0.00 1.90 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 2.22 2.29 0.00 148 N 9.28 4.75 0.00 2.91 2.97 0.00 0.00 7.20 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 0.00 149 S 7.76 4.34 0.00 3.82 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 0.00 150 E 8.24 4.77 0.00 1.92 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 2.22 2.46 0.00 151 N 8.82 5.00 0.00 2.65 2.95 0.00 0.00 7.04 7.61 0.00 0.00 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 8.15 4.81 0.00 1.76 1.77 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.43 7.81 153 F 8.85 5.04 0.00 3.11 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 0.00 154 I 8.24 3.94 1.80 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 1.23 0.72 0.81 0.00 0.00 155 D 7.88 4.00 0.00 1.88 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.36 4.42 0.00 1.90 1.96 0.00 3.43 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 157 F 8.25 4.29 0.00 3.02 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 0.00 158 D 7.59 4.14 0.00 2.50 2.27 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 0.00 159 A 7.91 3.68 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 0.00 160 K 7.95 3.97 0.00 1.77 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 161 R 7.66 4.14 0.00 1.79 1.94 0.00 3.29 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 162 I 7.29 4.32 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 0.92 0.00 0.00 163 H 8.67 4.60 0.00 2.99 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 I 8.30 4.09 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 1.39 0.77 0.91 0.00 0.00 165 E 9.29 4.31 0.00 2.15 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 0.00 2.20 2.23 0.00 166 K 7.41 4.72 0.00 1.84 1.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.43 7.81 167 Y 8.62 3.95 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.