NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0610 8.3044 120.3026 53.3765 34.1525 171.3203 2 N 3.5666 7.3757 124.6511 52.6304 38.8259 172.2857 3 F 4.9630 9.0549 124.8596 57.2500 40.3621 175.8608 4 S 4.4970 8.2863 117.3592 58.7102 63.1679 173.7757 5 G 4.1959 7.3408 109.8119 43.4153 0.0000 171.5662 6 K 4.9437 7.6772 121.1725 54.6931 34.6469 174.3794 7 Y 5.3107 9.0665 123.5325 56.3400 42.9585 173.9816 8 Q 4.9371 8.9276 121.4737 53.9841 32.8077 174.6524 9 V 4.0374 8.3516 125.8667 63.2148 31.5889 175.3211 10 Q 4.6622 9.0842 126.4901 57.3196 30.8271 175.8886 11 S 4.8120 7.7405 110.8688 57.7062 66.1793 173.5728 12 Q 5.0965 8.3623 117.3082 55.4806 31.2276 173.2453 13 E 4.7437 9.0347 120.3148 55.1383 33.6419 175.7787 14 N 4.4565 8.9848 118.0153 54.6165 36.5750 176.9394 15 F 3.6175 8.5774 120.6103 61.2041 39.5974 175.4184 16 E 3.7425 8.2761 118.3483 58.8204 29.6076 176.7593 17 P 4.1688 0.0000 0.0000 65.4542 31.2635 178.3328 18 F 3.8947 7.5628 118.0274 61.6526 39.7002 176.7502 19 M 3.9350 7.9072 118.3924 57.9786 31.5266 178.8462 20 K 3.7659 8.0648 118.6569 59.4946 32.1549 179.1447 21 A 3.9710 7.6421 118.4882 54.2805 18.3147 178.5013 22 M 4.0899 7.3824 115.6991 55.1143 32.3495 177.1217 23 G 3.7700 7.7491 107.1916 45.4821 0.0000 173.1118 24 L 4.0551 7.5738 121.5842 53.1698 42.7858 174.9047 25 P 4.2582 0.0000 0.0000 64.0191 31.6951 177.3452 26 E 3.7246 8.3424 122.9750 58.8895 29.6137 179.1130 27 D 4.3829 8.2030 118.8875 56.7897 39.2320 178.5654 28 L 4.0066 8.1213 120.2945 57.4151 41.6039 179.3775 29 I 3.7988 7.7901 119.2609 64.6945 36.8661 178.2368 30 Q 4.0872 8.0838 117.5820 58.9047 28.8662 178.9960 31 K 4.2643 8.4587 119.8449 59.5550 32.0949 179.6803 32 G 3.8927 8.9887 105.4854 46.6052 0.0000 175.2764 33 K 3.3090 8.0319 121.9521 58.3236 32.1672 176.7592 34 D 4.8250 7.6006 115.0802 52.7282 39.7341 175.2210 35 I 4.2537 7.2468 120.9043 60.4280 38.2066 176.5793 36 K 4.2116 8.2152 126.0226 54.5555 30.7785 176.6656 37 G 2.9495 7.4661 111.3927 45.8605 0.0000 169.2762 38 V 5.0156 8.1674 120.9581 60.9187 34.3944 174.5781 39 S 5.2744 9.1520 123.1146 56.6997 66.3148 172.4153 40 E 5.2244 9.6653 125.7031 54.4729 32.2170 174.4384 41 I 5.0042 8.9981 127.5349 59.5524 40.7407 174.9048 42 V 4.4523 8.7589 125.5460 61.5728 34.1222 173.4224 43 H 5.2869 9.1098 129.1458 54.6001 31.4214 174.2457 44 E 4.3985 9.2366 125.8244 55.0789 32.1181 176.9874 45 G 3.8098 7.9237 117.1558 46.8984 0.0000 172.9881 46 K 4.3350 8.7197 125.3870 55.8135 32.3771 174.8361 47 K 4.7185 8.0656 122.8407 55.0522 33.7394 175.2593 48 V 4.5763 8.5381 128.2621 60.8836 34.2442 173.9556 49 K 4.6064 9.0105 130.6222 54.7774 33.8387 174.3635 50 L 5.2885 9.0375 130.7414 53.5695 44.8570 175.0732 51 T 5.0772 9.0383 122.4603 61.8614 72.2085 172.7592 52 I 4.9820 8.5988 127.2842 59.7929 40.2671 174.6374 53 T 5.0099 9.0835 124.0740 62.1558 71.3462 172.8428 54 Y 4.4337 9.5294 125.3790 56.5022 39.6666 178.7353 55 G 3.9055 8.8056 118.1811 46.7329 0.0000 173.3970 56 S 4.5054 9.2532 118.9070 57.8911 64.2834 173.8479 57 K 4.4190 8.2570 124.5138 55.2527 32.9086 175.0366 58 V 5.0354 8.2576 125.1646 61.1930 34.8069 174.4424 59 I 4.6875 8.6964 126.8284 59.8844 40.8048 173.8301 60 H 5.4101 8.9742 123.5846 54.2563 30.9069 173.7365 61 N 5.2496 9.3447 119.4025 51.8781 43.3847 173.1362 62 E 5.1072 8.7775 121.8560 55.0427 32.8970 173.8895 63 F 5.0313 8.4970 120.2350 56.3603 42.2500 172.7275 64 T 5.1832 8.5374 116.0704 61.5396 70.8179 174.2095 65 L 4.4431 8.9988 127.3912 56.8606 42.1319 176.8484 66 G 4.1374 9.5068 112.5283 45.3582 0.0000 173.6492 67 E 4.3817 8.0701 118.7916 55.2687 30.5837 175.6137 68 E 4.5541 8.2985 121.9414 55.0682 30.6011 175.5444 *70 E 4.3066 8.4296 124.0181 56.3726 30.6042 174.5918 71 L 4.7561 9.0747 128.0543 53.2222 44.1534 175.2253 72 E 4.8692 9.1715 125.3334 55.0160 30.1820 176.2495 73 T 4.2713 8.6028 118.4680 60.6991 70.2224 175.1815 74 M 4.2280 8.4034 118.0721 57.4628 31.5287 177.5170 75 T 4.0296 7.3342 108.5193 62.9068 69.4002 175.1844 76 G 3.9466 7.5581 108.6071 45.3829 0.0000 173.9915 77 E 4.1515 8.1065 121.1417 56.3519 30.8769 175.7045 78 K 5.0651 8.5134 123.4789 54.7794 35.0207 175.6978 79 V 4.6004 8.8260 116.5013 59.6185 36.3477 174.3607 80 K 4.9090 8.1565 120.3987 55.0319 34.2624 175.6309 81 A 4.3956 7.8862 122.3367 51.5468 22.5430 174.9011 82 V 4.6145 8.4089 119.0582 60.3442 33.8274 174.9395 83 V 4.3099 8.2770 127.7687 61.5922 33.0861 174.5882 84 K 4.8322 9.2863 127.5123 54.9608 35.4022 175.5419 85 M 4.8042 8.6354 123.0382 54.5915 32.0829 174.6117 86 E 4.2197 9.3497 129.1452 55.7403 30.6415 175.5160 87 G 4.2926 8.8421 117.4252 46.0436 0.0000 172.2679 88 D 4.7895 8.7598 118.0328 54.7305 42.6308 177.0817 89 N 5.4140 8.1944 113.5559 52.1273 39.6148 173.5086 90 K 5.1450 8.2156 118.8086 55.1858 35.7206 174.8116 91 M 5.1489 8.9252 123.8527 53.6302 34.6736 175.0213 92 V 5.0279 8.9595 123.8697 61.6232 35.1626 174.0823 93 T 4.8878 8.3845 119.3329 61.6971 71.4288 172.0480 94 T 5.2202 8.1637 120.2273 61.9656 72.6944 173.7238 95 F 4.7110 8.8702 117.0139 57.3373 40.8690 174.1837 96 K 3.9327 10.0552 121.7538 57.5723 29.5585 176.3646 97 G 3.9064 8.3858 105.3789 45.4093 0.0000 174.1637 98 I 4.3992 7.4839 121.5249 60.0132 39.3007 174.5719 99 K 4.6815 8.5041 127.0222 54.6230 34.7248 174.5218 100 S 5.1496 9.0632 122.6190 56.3972 65.3975 172.6233 101 V 4.6844 8.9240 126.9495 61.4870 34.3870 174.0204 102 T 4.7440 8.6215 125.2509 61.7196 70.7887 172.9680 103 E 4.9497 8.9706 128.2866 54.2880 32.2302 174.3515 104 F 4.9859 8.9084 125.9958 56.1504 40.9878 176.5929 105 N 5.0272 9.1747 120.8354 52.3556 41.1276 176.6442 106 G 3.9699 8.2273 115.9948 46.9540 0.0000 173.2824 107 D 4.7152 9.0485 127.4039 55.2621 41.3068 175.0063 108 T 5.1075 8.0834 117.3826 61.7082 71.2195 173.3326 109 I 4.5690 8.5309 126.4753 59.6039 40.6368 174.7162 110 T 4.7551 8.4191 122.3549 61.7214 71.8912 172.2711 111 N 5.2319 8.8780 125.6054 51.9275 42.0044 173.3723 112 T 4.8469 9.0257 121.9357 62.0978 72.4704 172.5965 113 M 5.2281 8.6915 126.6080 53.4913 35.3314 174.7967 114 T 5.0884 8.7193 114.1100 59.7978 71.8096 173.0258 115 L 4.4236 8.8006 127.5356 53.0304 45.0087 177.3788 116 G 3.8556 9.0170 119.3075 47.1070 0.0000 172.8707 117 D 4.7471 9.0217 122.7806 53.5201 41.7157 175.0591 118 I 4.2399 7.7476 119.8152 60.9133 38.2232 174.9997 119 V 4.7540 8.0823 123.4396 61.1848 33.6933 173.7348 120 Y 4.6712 8.9029 131.0945 56.9559 39.8418 173.8308 121 K 4.8316 8.9799 128.3704 54.5698 35.2017 174.8894 122 R 4.9674 8.5083 124.9163 54.3024 34.6120 174.3188 123 V 4.6554 8.7119 122.4654 61.2921 33.9569 174.4883 124 S 5.3773 9.0318 123.4293 56.5511 67.1702 173.1277 125 K 5.0185 8.5948 119.7053 54.8690 36.2018 175.4989 126 R 4.3275 9.0667 123.4598 56.2696 30.7119 176.5583 127 I 4.0632 8.3583 119.3094 61.0003 37.6086 175.1702 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 1 M 8.30 4.06 0.00 1.72 2.27 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 N 7.38 3.57 0.00 2.74 2.68 0.00 0.00 6.86 6.14 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 3 F 9.05 4.96 0.00 2.80 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 0.00 0.00 0.00 0.00 4 S 8.29 4.50 0.00 3.89 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 5 G 7.34 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 6 K 7.68 4.94 0.00 1.75 1.52 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 7 Y 9.07 5.31 0.00 2.96 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 8 Q 8.93 4.94 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.49 0.00 9 V 8.35 4.04 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 0.98 0.00 0.00 0.96 0.00 0.00 10 Q 9.08 4.66 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.40 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 11 S 7.74 4.81 0.00 3.84 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 12 Q 8.36 5.10 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 13 E 9.03 4.74 0.00 1.90 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 2.23 2.25 0.00 14 N 8.98 4.46 0.00 3.19 3.00 0.00 0.00 6.70 8.13 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 15 F 8.58 3.62 0.00 3.26 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 16 E 8.28 3.74 0.00 2.20 1.96 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 2.37 2.41 0.00 17 P 0.00 4.17 0.00 2.23 2.08 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 18 F 7.56 3.89 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 7.91 3.93 0.00 1.67 1.52 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.70 0.00 20 K 8.06 3.77 0.00 1.99 1.76 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.39 7.81 21 A 7.64 3.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.38 4.09 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 23 G 7.75 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 24 L 7.57 4.06 0.00 1.58 1.54 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.26 0.00 2.24 2.17 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 26 E 8.34 3.72 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 27 D 8.20 4.38 0.00 2.88 2.95 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 28 L 8.12 4.01 0.00 1.87 1.78 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.79 3.80 2.07 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.92 0.00 0.00 30 Q 8.08 4.09 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 31 K 8.46 4.26 0.00 1.98 1.91 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.54 7.81 32 G 8.99 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 0.00 0.00 0.00 33 K 8.03 3.31 0.00 2.23 2.07 0.00 1.80 0.00 0.00 2.07 0.00 0.00 3.23 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.52 7.81 34 D 7.60 4.83 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.25 4.25 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.75 0.00 0.00 36 K 8.22 4.21 0.00 1.53 1.68 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.65 7.81 37 G 7.47 2.95 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 38 V 8.17 5.02 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 1.12 0.00 0.00 0.88 0.00 0.00 39 S 9.15 5.27 0.00 3.89 3.82 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 40 E 9.67 5.22 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 41 I 9.00 5.00 2.31 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 1.06 0.00 0.00 42 V 8.76 4.45 2.09 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 1.01 0.00 0.00 0.95 0.00 0.00 43 H 9.11 5.29 0.00 3.13 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.24 4.40 0.00 1.93 1.78 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 2.18 2.20 0.00 45 G 7.92 3.81 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 0.00 0.00 0.00 46 K 8.72 4.34 0.00 1.85 1.88 0.00 1.68 0.00 0.00 1.98 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.43 7.81 47 K 8.07 4.72 0.00 1.88 1.92 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.35 7.81 48 V 8.54 4.58 0.97 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 0.70 0.00 0.00 0.85 0.00 0.00 49 K 9.01 4.61 0.00 1.79 1.64 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.51 7.81 50 L 9.04 5.29 0.00 1.77 1.56 1.02 0.83 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 51 T 9.04 5.08 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 1.16 0.00 0.00 52 I 8.60 4.98 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 1.19 0.00 0.00 53 T 9.08 5.01 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 1.26 0.00 0.00 54 Y 9.53 4.43 0.00 2.92 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 55 G 8.81 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 56 S 9.25 4.51 0.00 4.01 4.01 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 0.00 0.00 0.00 57 K 8.26 4.42 0.00 1.86 1.92 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.40 7.81 58 V 8.26 5.04 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 0.78 0.00 0.00 0.96 0.00 0.00 59 I 8.70 4.69 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 1.25 0.55 0.94 0.00 0.00 60 H 8.97 5.41 0.00 3.05 3.23 0.00 5.65 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 61 N 9.34 5.25 0.00 2.69 2.86 0.00 0.00 6.10 7.87 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 62 E 8.78 5.11 0.00 1.94 1.78 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 2.13 2.25 0.00 63 F 8.50 5.03 0.00 3.18 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 64 T 8.54 5.18 4.40 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 1.33 0.00 0.00 65 L 9.00 4.44 0.00 1.68 1.75 1.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 66 G 9.51 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 67 E 8.07 4.38 0.00 2.31 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 2.33 2.27 0.00 68 E 8.30 4.55 0.00 1.94 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 2.29 2.25 0.00 *70 E 8.43 4.31 0.00 2.05 1.91 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 2.18 2.55 0.00 71 L 9.07 4.76 0.00 1.30 1.31 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.17 4.87 0.00 1.96 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 2.25 2.24 0.00 73 T 8.60 4.27 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 1.05 0.00 0.00 74 M 8.40 4.23 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 75 T 7.33 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 76 G 7.56 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 77 E 8.11 4.15 0.00 2.07 1.81 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 2.29 2.29 0.00 78 K 8.51 5.07 0.00 1.62 1.64 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.41 7.81 79 V 8.83 4.60 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 0.81 0.00 0.00 0.66 0.00 0.00 80 K 8.16 4.91 0.00 1.62 1.70 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.41 7.81 81 A 7.89 4.40 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.41 4.61 2.09 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 1.18 0.00 0.00 1.00 0.00 0.00 83 V 8.28 4.31 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 0.83 0.00 0.00 0.14 0.00 0.00 84 K 9.29 4.83 0.00 1.70 1.71 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.37 7.81 85 M 8.64 4.80 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.67 0.00 86 E 9.35 4.22 0.00 2.10 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 2.27 2.28 0.00 87 G 8.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.76 4.79 0.00 2.68 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 89 N 8.19 5.41 0.00 3.10 3.10 0.00 0.00 6.07 7.44 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 90 K 8.22 5.15 0.00 2.04 1.73 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 91 M 8.93 5.15 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 92 V 8.96 5.03 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 0.80 0.00 0.00 0.93 0.00 0.00 93 T 8.38 4.89 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 94 T 8.16 5.22 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 1.27 0.00 0.00 95 F 8.87 4.71 0.00 3.19 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 10.06 3.93 0.00 1.99 1.93 0.00 2.02 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.66 7.81 97 G 8.39 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 98 I 7.48 4.40 1.13 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 1.04 0.50 0.88 0.00 0.00 99 K 8.50 4.68 0.00 1.83 1.60 0.00 1.42 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.35 7.81 100 S 9.06 5.15 0.00 3.87 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 0.00 101 V 8.92 4.68 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 0.76 0.00 0.00 0.89 0.00 0.00 102 T 8.62 4.74 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 0.61 0.00 0.00 103 E 8.97 4.95 0.00 1.87 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 2.13 2.23 0.00 104 F 8.91 4.99 0.00 2.82 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 0.00 105 N 9.17 5.03 0.00 2.69 2.71 0.00 0.00 6.60 7.75 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 0.00 106 G 8.23 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 9.05 4.72 0.00 2.78 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 0.00 108 T 8.08 5.11 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 1.17 0.00 0.00 109 I 8.53 4.57 1.47 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.19 0.14 0.00 0.00 110 T 8.42 4.76 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 1.09 0.00 0.00 111 N 8.88 5.23 0.00 2.49 2.37 0.00 0.00 6.51 8.05 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 0.00 112 T 9.03 4.85 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 1.12 0.00 0.00 113 M 8.69 5.23 0.00 1.81 1.43 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 114 T 8.72 5.09 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 1.19 0.00 0.00 115 L 8.80 4.42 0.00 1.79 1.54 0.81 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 116 G 9.02 3.86 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 0.00 0.00 0.00 117 D 9.02 4.75 0.00 2.61 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 0.00 118 I 7.75 4.24 2.13 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 1.22 0.89 1.07 0.00 0.00 119 V 8.08 4.75 2.09 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 0.73 0.00 0.00 0.94 0.00 0.00 120 Y 8.90 4.67 0.00 2.51 2.09 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 0.00 121 K 8.98 4.83 0.00 1.79 1.51 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.27 7.81 122 R 8.51 4.97 0.00 1.44 1.57 0.00 3.14 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.00 123 V 8.71 4.66 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 0.86 0.00 0.00 0.86 0.00 0.00 124 S 9.03 5.38 0.00 3.67 3.81 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 0.00 125 K 8.59 5.02 0.00 1.86 1.88 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 126 R 9.07 4.33 0.00 1.78 1.86 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 0.00 127 I 8.36 4.06 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 0.79 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.