NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3490 8.3149 120.1415 55.3629 33.7528 175.5610 2 P 4.3022 0.0000 0.0000 61.8019 32.0774 176.3306 3 G 3.6886 9.0890 111.7930 48.2307 0.0000 175.2079 4 A 3.9759 8.2198 122.2697 55.7094 18.2308 178.5638 5 M 3.9873 7.6590 113.1561 57.4835 31.8145 176.6575 6 Y 4.8382 8.3164 113.9576 57.0111 40.8709 177.0010 7 R 3.9354 8.1162 116.8256 58.1411 29.8182 176.1488 8 N 4.9854 7.3783 115.9815 52.5635 39.9788 175.2752 9 S 4.7560 8.2539 116.9327 58.2801 63.0491 175.4154 10 S 4.3751 7.8732 115.0052 59.5910 63.9665 174.7394 11 K 4.3719 7.7025 119.7993 54.4451 33.0534 174.4422 12 P 4.4770 0.0000 0.0000 62.0841 31.8789 176.4957 13 A 4.2764 8.4202 123.5018 52.5387 18.9364 177.2149 14 Y 4.8683 8.7263 122.9401 56.2226 39.6722 175.3760 15 T 4.6608 8.0897 112.0473 61.2427 71.3185 175.6525 16 R 4.2222 7.6756 122.8996 55.1888 28.3105 176.8470 17 R 3.5529 8.2593 122.2958 58.4594 30.4615 178.4749 18 E 3.9071 7.8109 114.1029 57.8684 29.7887 176.7023 19 Y 4.7947 8.3590 115.9126 57.4131 39.4550 175.1226 20 I 4.6219 7.4937 121.1752 59.3185 39.9843 174.9575 21 S 4.7138 8.6308 118.9405 57.4866 65.7802 173.6676 22 G 3.8438 8.8356 108.0445 46.1342 0.0000 173.4511 23 I 3.9165 7.6257 120.4752 59.8133 37.5366 174.6219 24 P 4.4075 0.0000 0.0000 62.1882 31.8850 176.5789 25 G 3.8050 8.2566 109.6709 44.9550 0.0000 173.5894 26 K 4.1461 8.2966 121.8143 56.0776 32.8126 177.1857 27 K 4.3101 8.7421 122.6538 56.7967 32.6687 177.1279 28 I 3.9558 7.6135 120.7793 61.2741 37.3382 175.7177 29 A 4.1675 9.6417 129.9894 54.8384 18.4337 177.1813 30 Q 4.8210 7.5462 110.9100 54.8708 33.2717 174.3608 31 F 4.5578 8.9929 115.8719 57.2621 42.2436 174.8046 32 D 5.5628 8.4230 118.1354 52.7852 42.9845 175.4133 33 M 4.7759 9.2018 122.4367 54.2978 36.3956 176.2155 34 G 3.4061 8.7138 106.1172 45.9932 0.0000 175.5864 35 N 4.6001 8.1400 113.1652 52.5255 36.8012 175.2206 36 N 4.6747 8.2143 116.7217 53.5287 38.3775 177.5157 37 G 3.5990 8.0299 108.2278 48.0516 0.0000 174.1303 38 A 4.4386 7.5414 121.8356 50.9143 20.0548 176.5802 39 G 4.0865 8.0662 108.1926 43.0028 0.0000 171.4548 40 P 4.2357 0.0000 0.0000 62.5212 30.1055 176.8546 41 T 4.6388 7.8049 113.4930 61.3085 69.6856 174.6950 42 Y 4.7359 7.9436 118.0558 56.7930 40.5616 174.6951 43 P 4.3852 0.0000 0.0000 65.4818 31.9484 176.4980 44 A 5.5845 8.0512 120.0311 50.0087 21.4496 175.8493 45 Q 4.5291 8.5194 121.4542 54.6559 31.9332 173.9150 46 V 4.8333 8.1119 126.9648 61.6706 34.2951 174.3501 47 E 4.8874 9.8327 123.5879 54.5042 34.5024 174.3346 48 L 4.2625 7.6932 125.2693 53.4763 43.6641 175.1075 49 V 4.7129 8.5844 127.8011 61.0279 33.3885 175.1903 50 V 3.9723 8.3728 128.5797 63.1236 32.4288 175.8874 51 E 4.7140 8.4636 125.2991 56.1430 30.2545 176.1484 52 K 4.5470 7.6240 118.1675 54.1811 36.2574 173.8246 53 P 5.0423 0.0000 0.0000 62.8695 32.0331 175.8817 54 V 4.5195 8.0904 115.3285 60.9338 36.6479 172.1802 55 Q 5.0349 8.7090 120.4677 54.4127 31.1792 176.0266 56 I 4.4691 8.6665 123.9799 59.2462 40.0929 175.7514 57 R 4.4609 8.6487 126.7146 56.2070 30.7891 177.8434 58 H 4.2893 8.8513 116.8322 58.3037 28.2574 177.6740 59 N 4.0886 7.9262 119.3176 56.4668 38.4629 176.8881 60 A 4.0425 7.8693 121.4425 54.9268 18.4425 179.5467 61 L 3.8522 7.7836 117.7443 57.8157 41.6882 179.1598 62 E 3.8327 8.1395 118.8958 59.3975 29.6440 178.6454 63 A 4.0043 8.0218 120.4677 55.0723 18.1501 179.5481 64 A 3.9632 8.2581 119.2907 55.3417 18.4756 179.9034 65 R 3.8831 8.5081 117.7008 59.5101 30.1557 178.6887 66 V 3.5748 8.4751 118.1001 66.2065 31.3951 177.7194 67 A 3.9171 7.9499 118.8281 54.8321 18.3400 179.1249 68 A 4.3090 7.5868 118.9951 55.0045 18.8509 179.2744 69 N 3.9645 8.4291 115.8549 56.7390 38.8932 177.0357 70 R 3.6517 8.5331 119.8248 59.0861 30.4883 176.5696 71 Y 4.2537 7.4599 118.4572 59.3286 39.2204 177.2733 72 V 3.3450 7.5332 116.2390 62.7028 31.4362 176.6026 73 Q 4.4699 7.4781 121.5041 55.7488 27.3579 175.2121 74 N 4.7097 7.2884 112.5266 52.8913 40.9819 174.1371 75 S 4.4952 7.5265 111.6802 58.0443 65.1580 174.7968 76 G 4.0366 8.3448 107.6924 44.4968 0.0000 174.4581 77 A 3.9430 8.6623 123.9292 54.3261 18.4099 178.2436 78 A 4.6467 7.6992 117.0210 51.5013 19.6320 175.9637 79 A 4.1731 7.9327 122.4651 54.2138 18.9055 178.9318 80 N 4.7516 8.2794 119.0830 51.8558 37.7206 173.2747 81 Y 4.8044 7.0147 119.5596 55.6926 41.2278 172.9981 82 K 5.0216 8.3670 118.9066 55.1815 36.3006 174.6564 83 F 5.9422 9.2604 125.4363 56.7672 42.4548 174.0569 84 R 5.1563 9.5149 124.3059 54.6122 34.2459 173.9544 85 I 4.3802 8.2813 125.0667 59.2814 37.8351 175.4866 86 R 4.3127 8.4504 127.2287 58.0165 30.0804 177.1322 87 K 4.5980 7.8168 119.0948 55.0567 33.5013 175.6789 88 F 4.7683 8.5302 121.0037 54.8997 41.5650 174.7653 89 P 4.9184 0.0000 0.0000 61.9788 29.4940 175.7974 90 F 4.4594 8.2593 125.3002 61.2087 39.7795 175.9024 91 H 4.4919 8.3468 121.7193 56.4032 30.5833 174.4914 92 V 4.4424 8.5106 127.4209 62.4682 32.3374 175.1423 93 I 4.6903 8.8880 121.3899 59.3171 40.4494 174.9881 94 R 5.0617 8.4440 122.9174 54.9536 33.5207 174.5753 95 E 4.5486 8.2377 118.3689 55.3985 33.4395 174.6060 96 N 5.1345 8.7081 127.0183 52.2020 37.8665 174.3141 97 K 4.4608 7.5397 123.9317 54.6237 31.9227 175.9749 *109 D 4.4566 7.7297 121.0952 54.8126 43.7215 172.0803 110 G 4.2122 8.8777 115.7748 46.1478 0.0000 172.9822 111 M 4.4121 8.9723 118.7239 54.7141 33.4566 176.1658 112 R 3.9560 7.8871 119.4163 57.1959 31.4934 176.1352 113 A 3.8121 8.4328 125.7456 52.8524 15.7015 175.0687 114 P 4.8705 0.0000 0.0000 62.1234 32.7277 176.7390 115 F 3.8545 8.4361 121.8049 58.6235 39.1539 174.6527 116 G 3.9579 8.0903 115.5402 46.1627 0.0000 171.5759 117 K 4.8287 8.5844 118.9141 54.0316 35.0242 174.2056 118 P 4.4738 0.0000 0.0000 63.9660 31.1646 176.2062 119 V 4.3132 8.5262 115.7179 60.8324 34.2380 175.7088 120 G 3.8701 7.1363 106.5412 45.7505 0.0000 171.5713 121 T 5.2416 7.4530 107.4451 60.4073 72.7125 172.5032 122 A 5.0658 9.1608 122.4948 50.8844 23.5903 174.7802 123 A 4.8483 9.0836 121.5841 50.2264 21.4944 176.2267 124 R 4.7376 8.7531 122.4375 55.5584 31.0964 176.0845 125 V 4.4407 8.7220 124.8358 61.3280 34.3555 174.3508 126 H 4.7691 8.7671 124.3484 53.8695 30.1927 174.8338 127 G 3.8978 8.5217 111.2235 47.7599 0.0000 173.4561 128 A 3.9054 9.5829 127.0275 51.5761 18.1591 178.2106 129 N 4.7830 7.9185 113.4423 52.9536 40.3015 173.6898 130 H 5.0783 8.1780 116.5124 54.4450 30.0180 174.5623 131 I 3.9088 8.4315 122.6024 62.1650 39.3731 175.1880 132 F 5.3622 7.5888 118.6617 55.6850 43.3926 174.3979 133 I 4.9955 8.7874 121.1414 59.9952 41.4799 174.0371 134 A 5.4958 9.5957 128.4308 49.9271 23.0315 174.8373 135 W 5.0782 9.2902 119.6187 54.8372 32.4314 175.1794 136 V 4.9063 8.7769 123.7167 60.0080 34.9406 174.8371 137 N 4.9698 8.9524 119.0444 51.9297 40.4780 170.9352 138 P 4.5956 0.0000 0.0000 62.2402 31.2468 176.2935 139 D 4.5622 8.8272 124.4219 52.5952 43.1029 176.9032 140 P 4.5116 0.0000 0.0000 63.0381 29.2127 176.7453 141 N 4.6117 7.8228 119.0229 54.2339 39.4407 176.8043 142 V 3.0136 7.3329 120.7287 64.5758 30.9867 177.7644 143 E 3.8509 7.8409 118.3504 58.6188 29.1594 177.6079 144 E 4.0910 8.1169 118.8369 58.1508 29.5934 177.9684 145 A 3.9347 7.6398 120.6819 54.1868 18.3133 179.0580 146 W 4.6997 7.7819 116.5743 58.5566 29.3975 178.5370 147 R 4.0074 7.4781 117.5833 58.8801 29.7158 177.6124 148 R 4.1241 7.8106 115.2825 57.9563 31.0749 177.7314 149 A 4.1478 7.8899 121.3096 55.1057 18.4639 179.2214 150 K 4.2145 7.9552 111.0801 57.8705 32.4106 177.3744 151 M 4.2001 7.8657 119.8438 56.9925 32.6116 176.6589 152 K 4.5563 8.0207 115.7806 55.8162 32.7340 176.0023 153 V 4.4988 7.3971 111.6355 59.4123 34.2816 175.3515 154 T 3.8876 8.5475 119.6596 66.7143 68.5709 172.9925 155 P 4.4467 0.0000 0.0000 62.9396 32.2077 175.8882 156 T 4.3505 8.1380 115.5654 63.6161 69.7853 173.8494 157 I 5.0012 8.1555 123.7217 59.6274 41.9651 173.9804 158 N 4.8595 8.9803 122.8986 52.0147 41.1148 173.5795 159 I 4.6936 8.5035 127.8764 60.5856 37.8768 174.4264 160 D 4.9496 8.9740 128.0341 52.4286 43.3355 174.7650 161 S 4.7350 8.7181 120.1282 58.1382 63.9306 171.3069 162 S 4.4180 9.3558 122.4399 59.0240 64.1363 173.0530 163 P 4.3658 0.0000 0.0000 64.0008 32.5786 175.6481 164 A 5.1519 8.0514 131.6118 52.5322 19.6399 175.7401 165 G 4.1187 8.1756 111.0917 45.3947 0.0000 172.3302 166 N 4.7629 7.9995 114.9874 51.5866 37.8991 175.1393 167 A 4.2833 7.5993 124.3850 52.3297 19.1414 177.4911 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 K 8.31 4.35 0.00 1.89 1.93 0.00 1.98 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.30 0.00 2.26 1.97 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 3 G 9.09 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 4 A 8.22 3.98 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 5 M 7.66 3.99 0.00 1.15 1.83 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 6 Y 8.32 4.84 0.00 2.99 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 7 R 8.12 3.94 0.00 2.00 2.30 0.00 2.95 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 8 N 7.38 4.99 0.00 2.64 2.77 0.00 0.00 6.91 7.45 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 9 S 8.25 4.76 0.00 3.82 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 10 S 7.87 4.38 0.00 3.97 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 0.00 11 K 7.70 4.37 0.00 1.83 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 12 P 0.00 4.48 0.00 2.12 2.04 0.00 3.70 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 2.05 2.11 0.00 13 A 8.42 4.28 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 14 Y 8.73 4.87 0.00 2.92 2.69 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 15 T 8.09 4.66 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 1.39 0.00 0.00 16 R 7.68 4.22 0.00 2.09 2.08 0.00 3.32 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.26 3.55 0.00 1.79 1.94 0.00 3.11 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 18 E 7.81 3.91 0.00 1.42 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 0.00 1.54 1.47 0.00 19 Y 8.36 4.79 0.00 2.88 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 20 I 7.49 4.62 1.73 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.84 0.00 0.00 21 S 8.63 4.71 0.00 3.93 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 22 G 8.84 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 23 I 7.63 3.92 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 0.88 0.00 0.00 24 P 0.00 4.41 0.00 1.99 1.98 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 25 G 8.26 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 0.00 0.00 0.00 26 K 8.30 4.15 0.00 1.74 1.78 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.62 1.53 7.81 27 K 8.74 4.31 0.00 1.74 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.50 7.81 28 I 7.61 3.96 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.43 0.20 0.00 0.00 29 A 9.64 4.17 1.28 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 0.00 0.00 30 Q 7.55 4.82 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 F 8.99 4.56 0.00 3.03 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 32 D 8.42 5.56 0.00 2.64 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 33 M 9.20 4.78 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.74 0.00 34 G 8.71 3.41 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 0.00 35 N 8.14 4.60 0.00 2.78 2.79 0.00 0.00 7.20 7.74 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 36 N 8.21 4.67 0.00 2.85 2.98 0.00 0.00 6.31 7.00 0.00 0.00 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 8.03 3.60 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 0.00 0.00 0.00 38 A 7.54 4.44 1.25 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 0.00 0.00 39 G 8.07 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 40 P 0.00 4.24 0.00 1.68 0.83 0.00 3.40 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.00 41 T 7.80 4.64 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 1.18 0.00 0.00 42 Y 7.94 4.74 0.00 3.19 3.11 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 43 P 0.00 4.39 0.00 2.13 2.17 0.00 4.01 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 44 A 8.05 5.58 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 45 Q 8.52 4.53 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 1.93 1.24 0.00 46 V 8.11 4.83 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 1.26 0.00 0.00 0.88 0.00 0.00 47 E 9.83 4.89 0.00 1.73 1.64 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 2.03 2.31 0.00 48 L 7.69 4.26 0.00 0.27 0.99 0.78 0.81 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 49 V 8.58 4.71 2.13 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 1.03 0.00 0.00 0.90 0.00 0.00 50 V 8.37 3.97 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 0.87 0.00 0.00 0.86 0.00 0.00 51 E 8.46 4.71 0.00 2.01 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 2.25 2.32 0.00 52 K 7.62 4.55 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 5.04 0.00 1.82 1.66 0.00 3.71 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 54 V 8.09 4.52 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 0.73 0.00 0.00 0.95 0.00 0.00 55 Q 8.71 5.03 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 56 I 8.67 4.47 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.87 0.00 0.00 57 R 8.65 4.46 0.00 1.85 1.83 0.00 2.88 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 58 H 8.85 4.29 0.00 3.35 3.50 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.93 4.09 0.00 2.73 2.83 0.00 0.00 7.04 7.49 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 60 A 7.87 4.04 1.37 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 0.00 0.00 61 L 7.78 3.85 0.00 1.76 1.55 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.14 3.83 0.00 2.04 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 2.35 2.36 0.00 63 A 8.02 4.00 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 64 A 8.26 3.96 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 0.00 0.00 65 R 8.51 3.88 0.00 2.20 2.11 0.00 3.15 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 66 V 8.48 3.57 2.14 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 0.97 0.00 0.00 1.00 0.00 0.00 67 A 7.95 3.92 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 68 A 7.59 4.31 1.53 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 0.00 0.00 69 N 8.43 3.96 0.00 3.07 2.90 0.00 0.00 6.93 8.11 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 70 R 8.53 3.65 0.00 1.83 2.05 0.00 3.33 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 71 Y 7.46 4.25 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.35 1.57 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 0.29 0.00 0.00 -0.17 0.00 0.00 73 Q 7.48 4.47 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 74 N 7.29 4.71 0.00 1.92 2.32 0.00 0.00 7.12 7.63 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 75 S 7.53 4.50 0.00 3.89 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 76 G 8.34 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 0.00 0.00 0.00 77 A 8.66 3.94 1.30 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 0.00 0.00 78 A 7.70 4.65 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 79 A 7.93 4.17 1.56 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 80 N 8.28 4.75 0.00 2.75 2.89 0.00 0.00 6.84 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 81 Y 7.01 4.80 0.00 3.13 3.01 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 82 K 8.37 5.02 0.00 1.97 1.91 0.00 1.38 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.03 1.51 7.81 83 F 9.26 5.94 0.00 3.34 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 84 R 9.51 5.16 0.00 2.00 1.97 0.00 3.37 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 85 I 8.28 4.38 1.53 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.04 0.48 0.00 0.00 86 R 8.45 4.31 0.00 1.97 2.16 0.00 3.19 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 87 K 7.82 4.60 0.00 1.62 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.31 7.81 88 F 8.53 4.77 0.00 2.08 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 0.00 0.00 0.00 0.00 89 P 0.00 4.92 0.00 2.14 2.07 0.00 3.39 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 90 F 8.26 4.46 0.00 3.16 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 91 H 8.35 4.49 0.00 3.37 3.40 0.00 5.86 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.51 4.44 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 0.89 0.00 0.00 0.89 0.00 0.00 93 I 8.89 4.69 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 1.01 0.00 0.00 94 R 8.44 5.06 0.00 1.51 1.67 0.00 2.42 0.00 0.00 2.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 95 E 8.24 4.55 0.00 2.31 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 0.00 2.32 2.29 0.00 96 N 8.71 5.13 0.00 2.94 2.67 0.00 0.00 6.88 6.05 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 125 V 8.72 4.44 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 1.00 0.00 0.00 0.88 0.00 0.00 126 H 8.77 4.77 0.00 3.29 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.52 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 0.00 128 A 9.58 3.91 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 0.00 129 N 7.92 4.78 0.00 2.68 2.66 0.00 0.00 6.52 8.24 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 0.00 130 H 8.18 5.08 0.00 3.16 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.43 3.91 1.65 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.97 0.73 0.00 0.00 132 F 7.59 5.36 0.00 2.32 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 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141 N 7.82 4.61 0.00 2.52 2.68 0.00 0.00 6.74 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 0.00 142 V 7.33 3.01 1.46 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 0.44 0.00 0.00 -0.35 0.00 0.00 143 E 7.84 3.85 0.00 1.89 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 2.37 0.00 144 E 8.12 4.09 0.00 2.06 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 0.00 2.07 1.75 0.00 145 A 7.64 3.93 1.09 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 0.00 146 W 7.78 4.70 0.00 3.42 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 0.00 147 R 7.48 4.01 0.00 1.79 1.88 0.00 3.21 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 148 R 7.81 4.12 0.00 1.90 1.88 0.00 2.93 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 149 A 7.89 4.15 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 0.00 150 K 7.96 4.21 0.00 1.89 1.93 0.00 1.64 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.87 4.20 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 152 K 8.02 4.56 0.00 1.80 1.79 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.40 4.50 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 0.91 0.00 0.00 154 T 8.55 3.89 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 0.00 155 P 0.00 4.45 0.00 2.15 2.04 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 156 T 8.14 4.35 4.23 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 1.23 0.00 0.00 157 I 8.16 5.00 1.85 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 1.19 0.77 0.86 0.00 0.00 158 N 8.98 4.86 0.00 2.87 2.63 0.00 0.00 7.50 8.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.50 4.69 1.96 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 1.43 0.77 1.15 0.00 0.00 160 D 8.97 4.95 0.00 2.71 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 0.00 161 S 8.72 4.74 0.00 3.94 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 0.00 162 S 9.36 4.42 0.00 3.90 3.68 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 0.00 163 P 0.00 4.37 0.00 2.32 2.11 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 164 A 8.05 5.15 1.28 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 0.00 0.00 165 G 8.18 4.12 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 0.00 166 N 8.00 4.76 0.00 2.73 2.80 0.00 0.00 7.04 7.35 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 0.00 167 A 7.60 4.28 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 * Residues marked with a * may have inaccurate shift predictions.