NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2166 8.3149 122.1022 54.2111 33.6563 174.9618 4 D 4.7101 7.8539 119.2363 52.3224 43.6519 174.5968 5 S 4.5120 9.0280 115.7240 57.4924 64.1441 174.0041 6 K 3.9842 8.8379 129.6654 59.8684 31.6873 178.3468 7 Y 4.0917 9.2169 119.9765 60.8331 38.4353 178.5309 8 K 4.1896 7.9239 118.3379 59.8002 32.2303 178.9467 9 M 4.2632 7.8800 117.9856 57.7362 31.9987 177.9889 10 S 4.5126 7.7242 110.9065 57.7706 64.2235 173.7058 11 H 4.7235 7.2054 119.2753 53.4876 32.1883 174.0374 12 T 3.5927 7.8639 119.5399 62.6683 70.0611 175.4199 13 F 4.2763 7.6698 121.5830 60.7228 37.5642 177.8654 14 E 4.2587 8.0587 117.9624 57.8551 29.7334 178.7251 15 S 4.2154 7.9009 115.5239 61.1986 63.2986 176.4448 16 R 4.2647 8.6741 122.0178 59.2946 29.9613 178.7193 17 Q 4.7749 8.5403 121.0369 58.9588 29.0778 178.3636 18 S 4.1470 8.0147 113.9366 61.1660 62.3714 175.6648 19 D 4.3214 8.2883 120.7320 57.1733 40.9843 178.0190 20 A 3.4308 7.9719 121.1536 55.0723 18.3442 179.5421 21 A 3.8984 7.7341 118.7681 55.0103 18.2851 180.0378 22 K 3.8946 8.0084 117.1143 59.6349 32.1138 179.6503 23 V 3.6182 7.8863 118.4484 66.2214 31.4736 178.2905 24 R 3.8810 8.2170 117.8598 59.0896 29.5892 178.8002 25 E 4.1710 8.0052 117.5837 59.1012 29.8049 178.9675 26 R 4.2397 8.1469 117.4509 58.0705 31.0739 176.6936 27 H 4.8077 8.3415 115.6194 53.2004 30.0341 171.9138 28 P 4.3903 0.0000 0.0000 64.4528 31.8520 177.2410 29 D 4.8100 8.0404 116.2539 53.8801 40.9550 175.1808 30 R 5.1013 7.5344 118.5240 54.4732 33.2015 174.9753 31 L 4.1101 9.1225 125.2094 52.6873 43.7312 174.2206 32 P 5.0169 0.0000 0.0000 62.9034 32.5319 174.9687 33 I 5.0544 9.0869 126.4270 59.3464 40.4999 174.7300 34 I 4.4941 8.4765 127.7623 59.6555 39.0339 174.1919 35 C 5.3911 9.3679 127.9409 57.8149 33.6981 172.8698 36 E 5.2596 9.1623 125.6176 53.9234 33.3942 175.8215 37 K 3.4434 8.8462 122.2472 56.4004 33.7139 176.9957 38 V 3.5805 8.5359 123.1275 63.2531 32.1142 175.8262 39 Y 4.2456 9.0465 129.9609 60.9264 38.6158 177.1312 40 N 4.4435 8.1268 114.4557 52.9730 38.2714 174.9862 41 S 4.4079 7.5957 114.1870 58.3029 63.7628 173.7419 42 D 4.4874 8.1746 120.2135 54.6341 41.3089 176.2490 43 I 4.0960 7.4598 118.2441 60.8090 38.8381 175.4215 44 G 3.7570 8.5380 115.6541 45.2601 0.0000 172.8812 45 E 4.1618 8.7338 124.6759 56.1546 30.0387 175.0117 46 L 3.6867 8.7245 128.4271 54.9242 38.3971 173.9420 47 D 4.4707 8.4131 121.4867 57.7871 41.1140 179.2473 48 R 4.2255 8.2910 115.5054 56.5873 27.4062 175.8798 49 C 4.7194 8.2346 110.5530 58.0833 31.2549 172.3625 50 K 4.7648 7.6709 121.6487 55.4268 33.1353 175.4672 51 F 4.7550 9.4846 125.8235 55.8701 42.6790 174.4139 52 L 4.6974 8.6942 123.9084 53.3429 41.2176 174.5287 53 V 4.0736 8.8845 123.8136 61.0670 33.2732 173.1816 54 P 4.7667 0.0000 0.0000 62.9728 31.5843 177.5611 55 S 4.0738 9.2468 120.1193 61.0752 62.8495 174.9657 56 D 4.6393 7.8988 117.7823 53.2399 39.9595 176.4337 57 L 4.3072 7.7792 122.3113 54.9277 42.3205 177.1668 58 T 4.6663 8.9685 114.4919 61.0849 70.9799 176.0061 59 V 3.7460 8.7945 120.9198 66.1410 31.4161 178.2475 60 G 3.5538 8.1411 105.5545 47.7191 0.0000 175.8569 61 Q 4.0063 8.2126 120.4288 58.6453 28.6682 178.4694 62 F 4.1021 8.1974 121.7442 61.3211 39.4326 177.3273 63 V 3.2510 8.0958 118.1457 65.9196 30.8234 178.0978 64 S 4.0033 8.0099 114.9433 61.4197 62.7831 176.8919 65 V 3.4868 7.3372 120.2692 65.9264 31.3177 177.8186 66 L 3.6593 7.2419 120.0976 57.8457 41.7520 178.7367 67 R 3.7122 7.7323 118.6050 59.4986 29.7561 178.6680 68 K 3.9529 7.3408 115.6212 59.4824 32.0545 179.2148 69 R 4.1180 7.3614 116.5678 58.2104 30.1826 178.3895 70 V 4.0022 7.4338 116.8618 60.8115 32.3740 175.7382 71 Q 3.4857 7.9239 117.4365 56.8565 26.3190 173.1429 72 L 4.3111 7.8299 119.0396 53.4964 43.1847 175.4449 73 E 3.9095 8.8230 126.0367 56.4249 30.0948 177.5614 74 A 3.9897 8.5454 127.0298 55.3327 18.7172 179.0719 75 E 4.0781 8.1800 114.3941 59.1436 29.7458 177.9754 76 S 4.4030 7.5387 115.2054 57.8653 63.6877 174.1815 77 A 4.0543 8.6617 128.2588 51.7915 18.9106 175.7625 78 L 5.0762 7.4954 120.6595 53.2985 45.1723 175.5671 79 F 4.8902 9.4738 124.6753 55.7075 42.3794 174.7260 80 V 5.1473 8.1002 114.3853 59.9027 35.7479 174.0948 81 Y 5.2727 8.8229 119.1629 56.9108 42.4884 174.3605 82 T 4.7033 8.4246 115.4346 61.5688 71.2500 173.6824 83 N 4.2187 9.9176 123.6547 54.3168 37.7866 173.6429 84 D 4.8202 8.9028 113.6825 54.6504 39.9582 173.7783 85 T 4.7989 7.7959 110.2101 59.3398 70.4330 173.4240 86 V 3.9434 8.5219 120.8034 61.6799 32.2911 175.3979 87 L 4.6727 8.3048 125.2646 52.7172 42.8915 175.0273 88 P 4.5049 0.0000 0.0000 62.5647 32.5383 177.4686 89 S 4.1193 8.8454 115.9061 60.6944 62.6119 175.6421 90 S 4.4406 7.9050 112.5097 58.7671 63.8607 174.3736 91 A 4.1259 7.5710 125.2002 52.5749 18.8980 176.1885 92 Q 4.7346 8.3817 119.4286 54.8886 31.1272 177.2846 93 M 4.0133 8.8825 124.7556 58.4697 31.9278 179.0632 94 A 4.0673 7.9415 120.4174 55.1902 18.6506 179.2251 95 D 4.3408 8.0785 116.8782 57.6841 41.0274 178.9528 96 I 3.9990 8.0194 120.3215 64.5480 37.0061 177.6472 97 Y 4.0675 8.6106 120.7114 60.9388 38.4344 178.0792 98 S 4.0624 8.3054 115.2738 61.8952 63.1383 176.6536 99 K 3.9312 7.8930 120.3920 58.3365 32.0750 176.8510 100 Y 4.6338 7.7922 113.8460 56.8837 39.5384 176.0007 101 K 3.7486 7.7925 119.5673 57.0835 32.8752 176.1600 102 D 4.7119 9.4069 122.0417 53.5294 42.0859 176.6310 103 E 3.9919 8.9128 119.9498 59.3933 29.3889 177.8217 104 D 4.5823 8.9722 117.2682 53.5219 39.9563 177.7069 105 G 3.9979 8.1277 109.0755 45.0634 0.0000 173.8002 106 F 4.8327 8.7938 119.6413 56.8241 40.7604 174.6861 107 L 4.5541 9.0562 125.4708 54.9327 43.1190 175.0529 108 Y 4.9376 8.8797 124.8483 57.4131 38.8254 174.8901 109 M 5.2040 9.5159 124.0872 53.5096 36.2235 174.9467 110 K 5.9987 9.1630 118.7849 54.1843 36.4621 174.8321 111 Y 5.7367 8.0002 118.0547 56.1886 41.9261 173.7058 112 S 4.7133 9.4125 114.0055 57.5264 66.4058 174.8460 113 G 4.1716 8.5698 115.2357 44.8608 0.0000 173.0017 114 E 4.1879 8.7950 117.6237 57.7857 30.2881 176.3211 *115 A 4.2698 7.7180 123.9669 51.7390 19.9685 176.4419 116 T 4.7073 7.5866 107.5043 59.8414 72.4505 172.9021 117 F 4.5065 8.6724 122.1706 56.7656 40.0488 176.3044 118 G 3.8615 8.7281 109.6393 46.4266 0.0000 173.4912 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 K 8.31 4.22 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 4 D 7.85 4.71 0.00 2.68 2.58 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 5 S 9.03 4.51 0.00 3.89 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 6 K 8.84 3.98 0.00 2.10 1.94 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.57 7.81 7 Y 9.22 4.09 0.00 3.19 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 8 K 7.92 4.19 0.00 1.95 1.91 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.63 1.38 7.81 9 M 7.88 4.26 0.00 1.99 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 10 S 7.72 4.51 0.00 3.91 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 11 H 7.21 4.72 0.00 2.84 3.01 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.86 3.59 3.98 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 0.00 0.00 0.34 0.00 0.00 13 F 7.67 4.28 0.00 3.39 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 14 E 8.06 4.26 0.00 2.27 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 2.35 2.33 0.00 15 S 7.90 4.22 0.00 4.09 4.11 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 0.00 0.00 0.00 16 R 8.67 4.26 0.00 2.35 2.53 0.00 3.46 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.92 0.00 17 Q 8.54 4.77 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 18 S 8.01 4.15 0.00 3.96 3.96 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 19 D 8.29 4.32 0.00 3.21 3.08 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 20 A 7.97 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.73 3.90 1.35 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 0.00 0.00 22 K 8.01 3.89 0.00 2.04 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.73 7.81 23 V 7.89 3.62 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 1.10 0.00 0.00 1.03 0.00 0.00 24 R 8.22 3.88 0.00 2.05 1.94 0.00 3.30 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 25 E 8.01 4.17 0.00 2.05 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 2.32 2.33 0.00 26 R 8.15 4.24 0.00 1.83 1.84 0.00 3.12 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 27 H 8.34 4.81 0.00 3.23 3.14 0.00 5.62 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 28 P 0.00 4.39 0.00 2.03 2.10 0.00 3.71 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 29 D 8.04 4.81 0.00 2.73 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 30 R 7.53 5.10 0.00 1.57 1.75 0.00 3.04 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 31 L 9.12 4.11 0.00 1.24 0.73 0.83 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 5.02 0.00 2.01 2.15 0.00 3.02 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.84 0.00 33 I 9.09 5.05 1.82 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 0.84 0.44 0.78 0.00 0.00 34 I 8.48 4.49 0.86 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 -0.28 -0.36 0.65 0.00 0.00 35 C 9.37 5.39 0.00 3.06 3.05 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 0.00 0.00 0.00 0.00 36 E 9.16 5.26 0.00 2.03 1.83 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 2.34 2.34 0.00 37 K 8.85 3.44 0.00 1.42 1.40 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.72 1.33 7.81 38 V 8.54 3.58 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 0.86 0.00 0.00 0.78 0.00 0.00 39 Y 9.05 4.25 0.00 2.86 2.99 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 0.00 0.00 0.00 40 N 8.13 4.44 0.00 3.01 3.07 0.00 0.00 5.91 7.64 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 41 S 7.60 4.41 0.00 4.04 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 42 D 8.17 4.49 0.00 1.98 2.50 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 43 I 7.46 4.10 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.05 1.04 0.00 0.00 44 G 8.54 3.76 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 0.00 0.00 0.00 45 E 8.73 4.16 0.00 1.99 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 2.46 0.00 46 L 8.72 3.69 0.00 2.12 1.90 1.24 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.41 4.47 0.00 2.68 2.75 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 0.00 0.00 0.00 0.00 48 R 8.29 4.23 0.00 1.82 2.28 0.00 3.13 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 49 C 8.23 4.72 0.00 3.37 3.26 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 50 K 7.67 4.76 0.00 1.54 1.60 0.00 1.78 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 0.93 7.81 51 F 9.48 4.75 0.00 3.05 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 52 L 8.69 4.70 0.00 1.47 1.57 0.96 0.83 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 53 V 8.88 4.07 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 0.91 0.00 0.00 0.85 0.00 0.00 54 P 0.00 4.77 0.00 2.12 1.99 0.00 3.73 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 55 S 9.25 4.07 0.00 3.88 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 56 D 7.90 4.64 0.00 2.81 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 57 L 7.78 4.31 0.00 2.01 1.68 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.97 4.67 4.48 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 1.26 0.00 0.00 59 V 8.79 3.75 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 1.14 0.00 0.00 0.98 0.00 0.00 60 G 8.14 3.55 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 0.00 61 Q 8.21 4.01 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 62 F 8.20 4.10 0.00 3.08 3.17 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 63 V 8.10 3.25 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 0.81 0.00 0.00 0.93 0.00 0.00 64 S 8.01 4.00 0.00 4.03 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 65 V 7.34 3.49 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 0.98 0.00 0.00 0.93 0.00 0.00 66 L 7.24 3.66 0.00 0.87 1.24 0.32 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.73 3.71 0.00 1.89 1.97 0.00 3.06 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 68 K 7.34 3.95 0.00 1.91 1.82 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.58 7.81 69 R 7.36 4.12 0.00 2.03 2.01 0.00 3.30 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 70 V 7.43 4.00 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 0.72 0.00 0.00 0.82 0.00 0.00 71 Q 7.92 3.49 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 72 L 7.83 4.31 0.00 1.56 1.51 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.82 3.91 0.00 1.99 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 2.37 2.28 0.00 74 A 8.55 3.99 1.26 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 75 E 8.18 4.08 0.00 2.00 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 2.39 2.45 0.00 76 S 7.54 4.40 0.00 3.94 3.80 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 77 A 8.66 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.50 5.08 0.00 1.44 1.29 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 79 F 9.47 4.89 0.00 3.00 2.49 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 0.00 80 V 8.10 5.15 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 0.89 0.00 0.00 0.95 0.00 0.00 81 Y 8.82 5.27 0.00 2.88 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 82 T 8.42 4.70 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 0.45 0.00 0.00 83 N 9.92 4.22 0.00 3.03 2.85 0.00 0.00 7.26 8.47 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 84 D 8.90 4.82 0.00 2.74 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 85 T 7.80 4.80 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 1.30 0.00 0.00 86 V 8.52 3.94 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 0.40 0.00 0.00 0.99 0.00 0.00 87 L 8.30 4.67 0.00 1.45 1.55 0.86 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.50 0.00 2.12 2.18 0.00 3.69 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 2.08 1.98 0.00 89 S 8.85 4.12 0.00 3.84 3.88 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 0.00 0.00 0.00 90 S 7.90 4.44 0.00 4.02 3.96 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 91 A 7.57 4.13 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 92 Q 8.38 4.73 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 93 M 8.88 4.01 0.00 1.91 2.18 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.81 0.00 94 A 7.94 4.07 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 95 D 8.08 4.34 0.00 2.91 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 96 I 8.02 4.00 1.93 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 1.72 1.04 0.94 0.00 0.00 97 Y 8.61 4.07 0.00 3.11 3.17 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 98 S 8.31 4.06 0.00 4.09 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 99 K 7.89 3.93 0.00 1.66 1.52 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.42 1.11 7.81 100 Y 7.79 4.63 0.00 3.14 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 0.00 101 K 7.79 3.75 0.00 1.40 0.78 0.00 1.37 0.00 0.00 1.00 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.22 7.81 102 D 9.41 4.71 0.00 3.25 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 0.00 103 E 8.91 3.99 0.00 2.14 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 2.38 2.38 0.00 104 D 8.97 4.58 0.00 3.22 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 0.00 105 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 4.83 0.00 3.05 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 9.06 4.55 0.00 2.11 1.71 1.08 0.75 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 0.00 108 Y 8.88 4.94 0.00 2.96 2.99 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 0.00 0.00 0.00 109 M 9.52 5.20 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 110 K 9.16 6.00 0.00 1.84 1.73 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.27 7.81 111 Y 8.00 5.74 0.00 3.16 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 0.00 112 S 9.41 4.71 0.00 4.06 4.05 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 0.00 0.00 0.00 0.00 113 G 8.57 4.17 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 0.00 114 E 8.80 4.19 0.00 2.04 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 2.63 2.52 0.00 *115 A 7.72 4.27 1.11 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 0.00 0.00 0.00 0.00 0.00 116 T 7.59 4.71 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 1.22 0.00 0.00 117 F 8.67 4.51 0.00 2.87 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 0.00 118 G 8.73 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 * Residues marked with a * may have inaccurate shift predictions.