NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3301 8.4449 118.7983 55.8525 29.9134 174.2421 7 V 3.5950 7.8069 119.9628 60.1958 32.6919 175.5280 8 S 4.6825 8.6367 119.1776 57.2869 66.5101 174.7693 9 W 4.2011 9.0519 133.0391 60.9291 30.3892 178.4316 10 I 3.4061 8.1146 119.0326 64.4969 36.4249 178.1423 11 S 4.2371 7.7030 113.5036 60.4890 62.3399 175.6926 12 W 4.1188 8.5801 131.4371 60.3389 30.3850 177.5183 13 F 2.4628 7.9348 120.6923 61.0017 38.4920 176.8035 14 C 3.9628 7.7847 115.2810 61.8203 28.0277 175.5167 15 G 3.6363 6.9131 105.7662 44.5218 0.0000 174.3288 16 L 3.8000 6.5706 121.8955 54.2135 42.1591 176.7207 17 R 4.1774 8.0681 121.5737 57.1118 30.2680 176.2578 18 G 3.8537 8.4911 112.3012 45.7924 0.0000 174.0244 19 N 5.1770 7.9430 117.1283 53.2172 38.7984 177.1076 20 E 4.1046 8.0680 120.6170 59.3368 29.7094 178.5845 21 F 4.9985 8.0142 116.2528 59.8784 39.3508 175.8131 22 F 4.6573 8.1456 118.9537 57.1593 39.4661 174.2617 23 C 5.1326 8.8192 116.5288 56.2465 32.6954 173.4809 24 E 4.4199 8.6972 120.4350 55.6060 29.3422 176.5433 25 V 2.6103 8.3402 125.0745 61.7540 32.2579 175.5777 26 D 4.4385 7.8909 127.0502 54.5761 41.4926 176.7554 27 E 3.9516 9.2710 125.0431 59.7236 29.4027 178.7224 28 D 4.6324 8.1811 119.6693 56.0986 39.0385 177.8005 29 Y 4.0667 7.8874 120.1583 60.6956 38.8880 177.8597 30 I 3.8733 7.7570 119.2604 64.3871 37.3445 178.0414 31 Q 4.2990 8.2765 118.8949 57.3714 28.4539 175.5054 32 D 4.6188 7.6385 119.9144 53.4886 41.7833 176.5210 33 K 3.9072 8.7566 128.0338 59.7312 32.2333 178.7820 34 F 4.2723 8.6054 120.6989 61.3641 38.9726 176.8007 35 N 4.1778 8.0360 115.1049 54.8280 38.5499 176.2794 36 L 4.5565 7.4257 119.0041 53.0603 41.9337 176.0428 37 T 3.9081 6.5822 109.8317 63.5672 69.1106 173.0280 38 G 4.0848 8.8706 114.0769 45.4039 0.0000 175.6685 39 L 4.0212 8.0095 119.6138 57.5502 41.7430 178.8918 40 N 3.1400 7.6480 115.0195 54.8612 38.3592 175.1992 41 E 4.5649 7.6127 114.0456 55.8532 29.7800 177.1543 42 Q 4.5817 8.2459 118.8442 55.9803 30.9601 176.1481 43 V 4.5422 7.4972 110.2092 58.4245 34.5362 173.6188 44 P 4.3633 0.0000 0.0000 63.8724 32.1065 175.3071 45 H 4.1180 8.5459 114.6478 56.9542 26.5459 176.4258 46 Y 4.0952 8.3502 121.7878 61.1920 38.3771 177.3804 47 R 3.5843 7.9032 118.6249 59.6415 30.3932 178.4578 48 Q 3.9000 7.9236 117.0241 58.6504 28.7304 178.6149 49 A 3.7579 8.0939 122.3208 54.9948 18.3430 179.5081 50 L 3.6388 7.4803 118.7056 57.9126 42.1067 178.9986 51 D 4.1728 7.6091 119.1035 57.3764 40.6456 178.2435 52 M 3.8294 7.8157 118.6904 58.6097 31.9173 178.3495 53 I 2.7927 6.8710 118.9392 63.4741 37.2517 177.4184 54 L 4.3612 7.2444 116.5249 53.2887 43.0624 176.2876 55 D 4.3482 7.4799 118.3685 55.3248 38.1024 172.5288 56 L 4.7426 7.7198 118.0673 51.8577 45.6633 176.5297 57 E 3.9015 8.8095 120.7700 56.1366 30.4255 176.3903 58 P 4.5581 0.0000 0.0000 61.4519 30.5605 175.4751 *66 P 4.1734 0.0000 0.0000 62.3153 31.9380 175.9913 67 N 4.5148 8.5087 116.8638 55.6352 39.2708 176.8182 68 Q 4.2396 7.8509 120.1595 55.9170 28.2533 177.6081 69 S 4.3933 7.8930 110.9424 60.4968 63.0606 174.0552 70 D 4.6389 7.9660 122.2599 56.9039 40.7467 179.0604 71 L 4.0932 7.9089 118.6686 57.5581 41.5385 179.2786 72 I 3.9624 7.9993 120.3356 64.0116 36.6735 178.0968 73 E 4.0761 8.0633 119.0936 59.5360 29.5786 178.9541 74 Q 4.2938 8.5128 116.9947 57.7938 28.8031 177.9708 75 A 4.3172 7.5431 120.7473 54.3284 19.2003 179.2694 76 A 3.7244 8.2207 119.6371 55.0132 18.4737 179.4823 77 E 3.8621 8.2983 117.9230 59.6400 29.7981 178.8307 78 M 4.1608 7.6607 118.3578 58.0373 32.3755 177.9276 79 L 3.9372 8.3263 120.9751 58.2335 42.2252 178.2989 80 Y 3.9648 8.3142 120.1188 60.3096 38.6429 178.1491 81 G 2.5824 7.3330 106.1799 47.5895 0.0000 175.5803 82 L 4.0962 7.6183 122.0024 57.4341 41.5895 179.8588 83 I 3.7495 7.6402 119.7651 64.4454 36.9755 177.7557 84 H 3.8830 8.1848 119.3040 59.1637 29.3728 176.8998 85 A 3.8768 7.7792 121.1952 55.3786 18.5109 179.6349 86 R 4.0233 7.7199 116.0928 59.4323 30.2103 178.3058 87 Y 3.5568 8.3343 120.5137 60.6558 38.6601 177.9907 88 I 3.6032 7.5758 108.6879 61.2846 37.1783 176.1760 89 L 4.5568 7.5442 121.2722 55.6151 43.1520 177.6844 90 T 4.2172 7.4399 110.0764 61.0495 71.1147 175.2315 91 N 4.2420 8.7193 120.0278 56.6120 38.5798 177.7397 92 R 3.9417 7.8253 119.7114 59.1390 30.3026 178.5242 93 G 2.7862 7.2679 105.4293 47.6714 0.0000 175.5355 94 I 3.7347 7.8729 122.9499 63.9193 37.1137 178.2896 95 A 3.9478 7.8257 121.1563 55.3655 18.3061 179.7326 96 Q 4.0076 7.9477 116.2968 59.4711 28.8212 179.0341 97 M 4.3204 8.3229 119.8475 58.3278 32.0366 178.4745 98 L 4.0627 8.4173 121.0017 58.0254 41.9339 178.5975 99 E 3.9248 7.9998 118.8735 59.3020 29.7027 178.7542 100 K 3.8041 8.0360 117.9202 59.5879 32.0306 178.5030 101 Y 4.4274 8.7837 119.9875 61.2191 38.5618 178.5399 102 Q 3.9151 8.0961 116.8654 58.3296 28.8497 177.8367 103 Q 4.3985 7.5536 117.0296 54.9305 29.4506 175.9811 104 G 4.1578 7.9571 108.2475 46.2965 0.0000 175.9318 105 D 4.1878 7.7462 121.8636 56.3184 40.7155 177.5979 106 F 4.1448 7.4527 115.0729 56.8421 39.7496 175.5585 107 G 3.7375 7.6087 106.9272 44.9082 0.0000 171.8799 108 Y 5.0412 7.8936 114.6036 55.4596 40.9372 175.2821 109 C 4.0763 8.7792 123.9811 59.1418 31.9226 172.4119 110 P 4.3173 0.0000 0.0000 64.5356 31.7604 176.9833 111 R 3.9056 7.5220 119.5332 56.1080 30.2022 177.5632 112 V 3.3949 8.3170 122.4073 66.0668 31.5841 176.9014 113 Y 4.6084 7.3792 114.2054 59.2053 38.4772 175.7328 114 C 4.2526 8.1084 117.7530 59.8494 29.1994 172.8650 115 E 3.7885 8.2985 118.2909 58.1857 27.0276 174.2444 116 N 4.1741 7.8536 108.1972 54.2213 36.9306 175.4175 117 Q 4.3357 7.6567 118.4188 55.2533 30.2764 173.9578 118 P 4.7509 0.0000 0.0000 63.4444 32.1143 175.4151 119 M 4.9797 8.6064 121.2848 53.9641 35.0813 174.9254 120 L 4.5962 8.5576 119.4915 52.1372 44.9424 174.9452 121 P 4.4622 0.0000 0.0000 63.0588 32.3902 175.0323 122 I 4.5141 8.3925 119.6515 60.1499 41.9641 173.2100 123 G 4.4896 9.0129 114.0382 44.5691 0.0000 174.4613 124 L 4.3489 8.6563 121.8834 56.0225 42.6889 176.8437 125 S 4.6262 7.5755 111.8329 57.2009 65.2212 173.5926 126 D 4.8269 8.5616 123.0792 54.2401 41.6854 176.4681 127 I 4.2330 7.7160 122.3988 59.0506 37.8727 173.7659 128 P 4.4985 0.0000 0.0000 64.1473 31.6311 177.1072 129 G 4.0026 10.1219 110.5224 45.8835 0.0000 175.0084 130 E 4.0328 7.8590 118.5856 58.6264 29.9589 176.5725 131 A 4.7631 7.3200 118.3017 50.6638 23.0299 174.7322 132 M 4.8395 8.5244 119.1314 54.3345 33.4121 176.8275 133 V 3.7588 8.8543 121.1032 62.2205 32.2741 175.4825 134 K 4.7758 8.9196 121.9519 54.6227 36.5112 174.4557 135 L 5.0779 9.1020 120.6378 53.2557 44.8349 175.2944 136 Y 5.0452 9.1523 125.3244 56.0825 41.1414 173.7495 137 C 4.7501 8.3379 128.3487 57.5538 32.3321 172.6373 138 P 4.1060 0.0000 0.0000 64.6731 31.5024 177.6708 139 K 3.9964 7.8987 120.3260 59.2870 32.3007 177.1717 140 C 4.3536 7.9367 109.9855 57.8852 30.2969 172.8140 141 M 2.9099 7.3235 118.7512 56.8408 29.9620 175.2796 142 D 5.0313 7.6911 115.2942 52.4187 45.6671 173.9858 143 V 4.9381 7.9536 120.1215 61.2482 33.5059 174.1066 144 Y 4.8105 9.3678 124.7866 56.3966 42.0549 174.5009 145 T 4.7440 8.4706 117.5847 61.6838 69.8422 173.4502 146 P 4.4215 0.0000 0.0000 62.7319 32.0080 176.6834 147 K 4.1227 8.8414 121.8979 59.5354 33.0375 177.3648 148 S 4.4615 7.9709 114.7857 56.8409 63.2516 174.6793 149 S 3.7222 8.5202 122.0033 60.1163 63.0872 176.1791 150 R 3.9145 7.4805 117.2865 58.6141 29.5663 176.9895 151 H 4.7001 7.8936 115.0506 56.0567 28.9393 175.1521 152 H 4.7367 7.9702 116.0730 56.5348 28.2577 175.3382 153 H 4.8782 8.0456 113.7132 55.5032 30.5053 172.9296 154 T 4.6031 7.6511 117.4793 61.8600 69.0378 173.9804 155 D 4.5328 8.8190 127.0724 54.0804 41.8738 177.2601 156 G 3.8073 8.9206 112.9226 47.1160 0.0000 175.5650 157 A 4.3830 8.6083 124.5883 54.1445 18.2097 178.1949 158 Y 4.7959 7.6062 113.9837 59.0115 37.8307 176.6429 159 F 4.3263 8.1696 117.4416 55.6130 41.5992 176.0282 160 G 4.1653 7.7821 107.8826 45.3487 0.0000 174.3354 161 T 4.3934 8.0561 108.2004 61.8087 69.5578 175.9580 162 G 3.9690 7.8106 109.9188 45.2135 0.0000 174.7409 163 F 4.1649 8.2623 122.5693 60.9512 39.2805 175.0088 164 P 3.3822 0.0000 0.0000 65.6629 31.0280 178.1246 165 H 4.0468 7.7877 116.3318 59.2862 29.9079 176.8744 166 M 3.9649 7.9175 120.5550 58.3830 31.8364 178.3699 167 L 3.6428 7.3209 120.1717 58.2400 41.6249 179.0233 168 F 4.3626 7.3999 116.5674 59.8400 38.5640 177.8093 169 M 4.0719 7.6193 118.4579 58.4574 31.9340 178.4842 170 V 3.7864 7.6196 116.3831 64.5775 33.0612 175.5717 171 H 5.3715 8.0051 114.3590 52.2740 29.4108 172.4058 172 P 4.5209 0.0000 0.0000 65.0020 31.9977 179.2506 173 E 4.0452 8.4471 116.9485 59.2658 29.4688 177.6572 174 Y 4.5170 8.5303 114.7057 57.7299 38.2827 175.7214 175 R 3.6823 7.8285 120.9424 56.1623 30.5335 174.4599 176 P 4.5752 0.0000 0.0000 61.5911 32.5722 176.2941 177 K 3.9930 8.6607 119.4288 56.2001 32.6548 174.5691 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 6 E 8.44 4.33 0.00 2.10 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 2.18 2.35 0.00 7 V 7.81 3.59 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 0.73 0.00 0.00 0.97 0.00 0.00 8 S 8.64 4.68 0.00 4.25 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 9 W 9.05 4.20 0.00 3.66 3.45 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 10 I 8.11 3.41 1.97 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 1.69 0.86 0.96 0.00 0.00 11 S 7.70 4.24 0.00 3.93 4.03 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 0.00 0.00 0.00 12 W 8.58 4.12 0.00 3.28 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 13 F 7.93 2.46 0.00 1.51 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 0.00 0.00 0.00 14 C 7.78 3.96 0.00 2.91 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 15 G 6.91 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 16 L 6.57 3.80 0.00 1.07 1.18 0.03 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.07 4.18 0.00 1.68 1.77 0.00 3.12 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 18 G 8.49 3.85 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 0.00 0.00 0.00 19 N 7.94 5.18 0.00 2.47 2.56 0.00 0.00 6.84 7.82 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 20 E 8.07 4.10 0.00 1.91 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 2.29 2.35 0.00 21 F 8.01 5.00 0.00 2.96 3.03 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 0.00 0.00 0.00 22 F 8.15 4.66 0.00 3.37 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 23 C 8.82 5.13 0.00 3.23 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 24 E 8.70 4.42 0.00 2.16 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 2.46 2.38 0.00 25 V 8.34 2.61 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 -0.37 0.00 0.00 0.56 0.00 0.00 26 D 7.89 4.44 0.00 2.89 2.98 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 27 E 9.27 3.95 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 28 D 8.18 4.63 0.00 2.97 2.98 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 29 Y 7.89 4.07 0.00 3.14 3.20 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 30 I 7.76 3.87 2.05 0.00 0.00 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 1.72 0.88 0.89 0.00 0.00 31 Q 8.28 4.30 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 32 D 7.64 4.62 0.00 2.64 2.59 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 0.00 0.00 0.00 0.00 33 K 8.76 3.91 0.00 1.88 1.89 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 34 F 8.61 4.27 0.00 3.06 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 35 N 8.04 4.18 0.00 2.39 2.05 0.00 0.00 6.94 7.90 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 36 L 7.43 4.56 0.00 1.70 1.68 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 T 6.58 3.91 4.15 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 0.00 0.00 1.26 0.00 0.00 38 G 8.87 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 0.00 0.00 0.00 39 L 8.01 4.02 0.00 1.74 1.70 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.65 3.14 0.00 2.19 1.60 0.00 0.00 6.74 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 41 E 7.61 4.56 0.00 2.12 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 2.29 2.31 0.00 42 Q 8.25 4.58 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 43 V 7.50 4.54 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 0.83 0.00 0.00 1.12 0.00 0.00 44 P 0.00 4.36 0.00 1.93 1.98 0.00 3.95 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 2.01 2.00 0.00 45 H 8.55 4.12 0.00 3.37 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.35 4.10 0.00 3.27 3.03 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 0.00 0.00 0.00 47 R 7.90 3.58 0.00 1.92 1.86 0.00 3.21 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 48 Q 7.92 3.90 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 49 A 8.09 3.76 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 50 L 7.48 3.64 0.00 1.04 1.31 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.61 4.17 0.00 2.87 2.57 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 0.00 0.00 0.00 0.00 52 M 7.82 3.83 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.98 0.00 53 I 6.87 2.79 1.68 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.01 0.89 0.00 0.00 54 L 7.24 4.36 0.00 1.49 1.65 0.86 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.48 4.35 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 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0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.31 3.96 0.00 2.96 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 81 G 7.33 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 0.00 0.00 0.00 82 L 7.62 4.10 0.00 1.82 1.76 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.64 3.75 1.78 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 1.42 0.69 0.94 0.00 0.00 84 H 8.18 3.88 0.00 2.77 3.36 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.78 3.88 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 86 R 7.72 4.02 0.00 2.14 2.10 0.00 3.32 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 1.67 1.84 0.00 87 Y 8.33 3.56 0.00 2.63 2.88 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 88 I 7.58 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0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 97 M 8.32 4.32 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.77 0.00 98 L 8.42 4.06 0.00 1.52 1.73 0.15 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 0.00 0.00 0.00 0.00 99 E 8.00 3.92 0.00 2.16 2.22 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 2.34 2.42 0.00 100 K 8.04 3.80 0.00 1.90 1.57 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.76 7.81 101 Y 8.78 4.43 0.00 3.23 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 0.00 102 Q 8.10 3.92 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 103 Q 7.55 4.40 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 104 G 7.96 4.16 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 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1.06 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.00 122 I 8.39 4.51 1.88 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 1.16 1.30 0.98 0.00 0.00 123 G 9.01 4.49 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 0.00 0.00 0.00 124 L 8.66 4.35 0.00 1.65 1.73 0.91 0.78 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 0.00 125 S 7.58 4.63 0.00 3.79 3.63 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 0.00 0.00 0.00 126 D 8.56 4.83 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.72 4.23 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.17 0.92 0.00 0.00 128 P 0.00 4.50 0.00 2.09 2.09 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 129 G 10.12 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 0.00 130 E 7.86 4.03 0.00 2.07 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 2.44 2.40 0.00 131 A 7.32 4.76 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 0.00 132 M 8.52 4.84 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 133 V 8.85 3.76 2.00 0.00 0.00 0.00 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 0.40 0.00 0.00 134 K 8.92 4.78 0.00 1.65 1.88 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 135 L 9.10 5.08 0.00 1.58 1.52 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 9.15 5.05 0.00 3.02 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 0.00 137 C 8.34 4.75 0.00 2.99 2.76 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 0.00 138 P 0.00 4.11 0.00 1.94 2.32 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 139 K 7.90 4.00 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.41 7.81 140 C 7.94 4.35 0.00 3.17 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 0.00 141 M 7.32 2.91 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 142 D 7.69 5.03 0.00 2.69 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 0.00 143 V 7.95 4.94 2.02 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 0.87 0.00 0.00 1.05 0.00 0.00 144 Y 9.37 4.81 0.00 2.97 2.87 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 0.00 0.00 0.00 145 T 8.47 4.74 4.31 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 1.23 0.00 0.00 146 P 0.00 4.42 0.00 2.22 2.25 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 147 K 8.84 4.12 0.00 1.91 2.00 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.49 7.81 148 S 7.97 4.46 0.00 3.89 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 0.00 149 S 8.52 3.72 0.00 4.05 4.10 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 0.00 150 R 7.48 3.91 0.00 1.74 1.95 0.00 2.77 0.00 0.00 3.01 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.07 0.00 151 H 7.89 4.70 0.00 3.27 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 7.97 4.74 0.00 3.19 3.19 0.00 5.61 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.05 4.88 0.00 3.11 3.33 0.00 5.88 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.65 4.60 4.36 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 1.61 0.00 0.00 155 D 8.82 4.53 0.00 2.41 1.54 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 0.00 0.00 0.00 0.00 156 G 8.92 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 0.00 157 A 8.61 4.38 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 0.00 158 Y 7.61 4.80 0.00 3.04 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 0.00 159 F 8.17 4.33 0.00 3.05 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 0.00 160 G 7.78 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 0.00 161 T 8.06 4.39 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 1.33 0.00 0.00 162 G 7.81 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 0.00 163 F 8.26 4.16 0.00 3.21 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 0.00 164 P 0.00 3.38 0.00 1.63 1.82 0.00 3.50 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.16 0.00 165 H 7.79 4.05 0.00 3.07 3.30 0.00 5.69 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 0.00 166 M 7.92 3.96 0.00 2.00 2.28 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 2.62 2.68 0.00 167 L 7.32 3.64 0.00 0.83 0.78 0.45 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 168 F 7.40 4.36 0.00 2.96 2.98 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 0.00 169 M 7.62 4.07 0.00 2.00 2.29 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 2.72 2.86 0.00 170 V 7.62 3.79 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 0.69 0.00 0.00 0.91 0.00 0.00 171 H 8.01 5.37 0.00 3.22 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.52 0.00 2.23 2.18 0.00 3.94 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 2.15 2.39 0.00 173 E 8.45 4.05 0.00 2.12 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 2.43 2.46 0.00 174 Y 8.53 4.52 0.00 3.27 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 0.00 175 R 7.83 3.68 0.00 2.09 1.83 0.00 3.16 0.00 0.00 3.04 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 176 P 0.00 4.58 0.00 2.04 2.13 0.00 3.54 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 177 K 8.66 3.99 0.00 1.76 1.86 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.19 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.