NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 L 4.4203 8.0433 120.5446 54.8523 43.4995 175.2806 15 Y 4.9984 8.7934 121.8816 55.1117 40.6855 174.2272 16 F 4.8511 9.5797 127.2241 57.6815 42.9924 174.3103 17 Q 3.2105 9.4482 126.4642 56.7615 26.1981 174.7568 18 G 4.0607 8.7502 106.5965 45.0089 0.0000 173.9117 19 N 5.3452 7.9697 116.3502 50.3127 41.7208 172.2311 20 P 4.3284 0.0000 0.0000 62.9352 32.7966 175.1313 21 V 4.8847 7.9339 120.0640 61.4146 34.4819 174.8945 22 V 4.8983 8.7286 119.2764 59.9232 36.5350 173.6403 23 Y 5.2677 8.4385 118.6947 55.4861 42.0350 174.0104 24 F 5.5311 9.4663 119.0746 56.0522 42.5864 173.9591 25 D 5.3828 9.4491 123.8395 53.3064 42.6630 175.4682 26 I 5.1148 8.8004 124.0405 59.6333 40.1336 174.7800 27 S 5.2049 8.8761 121.6624 56.7692 66.7741 173.1304 28 I 4.5465 8.9514 124.8065 59.1473 39.0308 176.1428 29 G 3.7770 9.2736 119.2239 47.0440 0.0000 175.5796 30 Q 4.1228 8.7586 124.3679 57.6985 29.4483 175.6556 31 T 4.1783 7.8280 116.2081 62.2882 68.9158 172.3429 32 P 4.5761 0.0000 0.0000 62.2796 31.7240 176.0707 33 A 4.4401 8.9174 125.7078 51.1290 20.5227 174.9170 34 G 3.7380 7.8958 100.4670 43.8072 0.0000 171.7602 35 R 5.0979 8.5666 118.1138 54.6454 32.9790 175.6045 36 I 4.6204 9.0893 127.1734 60.1694 39.3907 174.5151 37 T 5.0015 9.1848 125.1396 62.0382 70.8774 173.6084 38 M 5.0007 9.0406 125.7417 53.3668 35.9249 174.1095 39 E 4.8195 8.7434 124.0324 55.0244 31.6157 174.4814 40 L 4.5839 8.3384 126.9029 52.3644 43.4641 177.7282 41 F 4.8672 8.3316 124.9002 56.6924 37.7976 176.9478 42 A 4.1700 7.9786 124.0939 54.9709 19.1466 178.9889 43 D 4.6098 8.5648 115.4478 55.8147 39.3525 177.6116 44 K 4.5612 8.2305 116.1674 55.9616 34.9844 176.3128 45 V 4.6579 8.3000 118.6429 59.0661 31.3652 174.8053 46 P 4.3567 0.0000 0.0000 66.7635 31.6570 178.4974 47 I 3.7084 8.3940 119.6165 64.4132 37.1009 178.5815 48 T 4.0174 8.8147 116.8219 66.5600 68.2195 176.6996 49 A 4.0894 8.4063 123.0927 55.2293 18.4276 179.3357 50 E 3.8638 8.4152 117.9148 59.1995 29.6892 178.2146 51 N 3.8937 8.0972 117.1915 56.8363 38.9868 176.4857 52 F 4.1515 8.0943 121.5644 61.2060 39.3382 177.0881 53 R 3.8324 8.4725 118.3553 59.4844 29.9265 178.4036 54 A 3.8747 7.9984 120.5584 55.1280 18.2388 179.6277 55 L 3.6472 7.7997 117.3269 57.7025 41.2076 179.5044 56 C 4.1403 7.8164 117.3045 62.2097 27.8009 175.3799 57 T 4.2739 7.3433 109.7906 60.9055 69.3875 175.9124 58 G 4.1585 7.9852 109.6173 45.2047 0.0000 175.2535 59 E 3.9614 7.6756 118.9412 58.5845 29.5122 178.1853 60 K 4.0468 7.8208 117.0408 56.5171 33.2429 178.6895 61 G 3.7845 7.9166 107.5370 45.2395 0.0000 172.7767 62 M 4.4233 8.4154 120.8562 55.2228 32.9112 176.4702 63 G 4.0351 9.1363 112.4863 44.4223 0.0000 174.7950 64 Q 4.1252 8.7724 117.7349 58.3162 28.7813 178.2469 65 S 4.1563 8.4496 112.0974 59.4417 63.1582 175.3700 66 G 3.9249 8.1243 108.6878 45.4693 0.0000 173.1306 67 K 4.7138 7.5965 118.4847 53.1346 34.8769 174.1993 68 P 4.5332 0.0000 0.0000 62.8446 32.2803 177.3069 69 L 3.7173 8.2899 122.1740 52.6703 39.8838 174.9377 70 C 4.5719 5.7800 117.6622 58.1672 34.9051 173.5980 71 Y 4.4211 8.3924 124.5529 60.4392 37.8649 176.0272 72 T 4.0320 7.6321 116.8024 65.4398 68.5640 174.2759 73 G 3.7461 9.4649 116.8548 44.7804 0.0000 173.1679 74 S 4.5531 7.7273 115.0476 57.6793 64.8468 172.8855 75 F 5.1941 8.5169 117.4519 55.5388 43.0953 175.1463 76 F 4.7249 9.3402 119.9808 56.5177 37.7744 175.6502 77 H 4.6504 8.7712 119.2466 56.6922 29.7448 175.5092 78 R 4.8116 7.5563 120.2895 55.0970 33.6784 173.5521 79 I 4.9013 9.0369 127.0907 59.8428 41.9661 174.1752 80 I 4.8779 8.6563 127.4980 58.7025 40.1723 173.7506 81 P 4.4904 0.0000 0.0000 63.8537 31.7431 176.0503 82 Q 3.6805 9.9576 119.3719 56.7025 26.2023 174.2462 83 F 5.4850 7.2058 118.4277 57.9093 44.9430 173.7082 84 M 4.8978 8.1108 112.3282 54.6259 35.4802 173.1759 85 I 4.8697 8.4392 113.1313 59.0935 40.4882 174.1749 86 Q 4.9048 9.4504 126.7857 54.6307 32.1270 174.4835 87 G 3.2483 7.6889 112.3739 45.4072 0.0000 173.2334 88 G 4.3497 7.8084 107.3457 45.4233 0.0000 174.1946 89 D 4.3983 7.6182 120.7706 52.9562 39.6003 175.8482 90 F 4.8854 7.5636 115.4249 56.5905 38.7868 177.0022 91 T 4.4818 7.7302 111.5656 62.7252 69.8800 175.3707 92 R 4.4087 8.4585 118.6643 54.2410 32.1771 177.0285 93 G 4.0431 8.3311 105.1272 45.8898 0.0000 173.6441 94 D 4.6239 7.9857 115.5624 52.3376 40.4943 176.4897 95 G 3.9439 8.6732 109.0489 45.4671 0.0000 174.6245 96 T 4.3347 8.2413 108.8193 61.8076 69.9999 175.1671 97 G 3.9538 7.9143 112.3927 46.0912 0.0000 173.0316 98 G 3.5186 10.2408 108.5355 45.6055 0.0000 172.4484 99 E 4.6757 7.2374 116.2560 54.6562 32.9064 175.3733 100 S 4.7186 8.5268 115.9348 57.3680 64.4484 174.8516 101 I 3.7823 8.0280 113.7704 62.7411 37.3612 176.4126 102 Y 4.4482 7.3999 117.9987 58.2874 38.0717 175.9126 103 G 3.7660 7.5229 107.2857 45.7284 0.0000 173.4588 *105 K 4.6198 7.7163 117.1459 56.4208 33.8748 174.4880 106 F 5.2065 8.7435 115.2851 54.5902 41.4606 174.3973 107 R 4.1817 8.8146 120.1385 56.3905 30.8818 175.8820 108 D 4.2612 8.8766 124.7236 54.5460 40.9201 176.3876 109 E 3.9908 8.8654 126.1003 58.3549 29.8490 175.8544 110 N 4.3674 6.8225 111.6170 52.6796 39.5409 173.2744 111 F 4.9857 8.2336 115.0662 56.5635 40.0210 176.9044 112 V 3.5538 8.1516 122.3005 65.7692 31.5487 175.3883 113 Y 4.7100 7.7103 115.5699 56.5151 39.3407 175.3423 114 T 4.5659 8.3155 113.9234 60.6307 71.5990 175.0499 115 H 4.5877 9.5735 121.1740 54.8230 26.9912 175.6984 116 D 5.0646 7.8317 116.0948 53.1406 40.6819 177.3832 117 A 4.8555 7.6228 119.6606 49.7799 22.3585 174.2771 118 P 4.0140 0.0000 0.0000 63.3111 32.4034 176.1078 119 F 4.0121 8.4289 116.9816 58.3175 37.0900 174.8104 120 L 4.6219 7.5071 120.6423 54.1484 43.2594 175.7954 121 L 4.5296 8.1200 123.1573 53.6401 43.0376 175.8428 122 S 4.9851 8.2045 117.8476 56.5132 66.5624 172.3898 123 M 5.0663 9.0647 124.2042 54.8094 32.3385 176.5999 124 A 4.7389 8.9505 125.8979 52.4203 19.7189 175.8256 125 N 4.6923 8.4130 115.1564 52.6653 40.0035 173.7792 126 A 4.6459 9.0132 119.8249 52.0049 19.1029 174.8293 127 G 3.7876 8.2730 106.0272 44.0900 0.0000 171.9983 128 P 4.3537 0.0000 0.0000 64.2910 31.6394 176.4333 129 N 4.3193 9.3265 120.2650 55.2906 36.2755 174.5774 130 T 4.6374 7.6431 102.7324 61.2193 69.8453 173.6052 131 N 4.4199 7.7771 120.7200 54.0315 40.5126 173.2653 132 G 4.1338 9.1703 108.8298 45.6921 0.0000 173.7319 133 S 4.9479 9.2908 117.7879 58.2740 65.4483 175.2705 134 Q 4.6345 8.1186 120.9721 56.2183 29.7517 175.4368 135 F 5.5425 8.6881 117.5497 55.6372 42.3391 172.9215 136 F 5.6070 9.6116 113.4360 55.3554 41.8866 173.4742 137 I 4.9996 8.7441 121.0974 59.6600 39.4839 175.6936 138 T 4.6781 8.6644 118.1358 61.9594 69.9647 175.0094 139 T 4.2483 8.8635 111.7435 61.4969 69.8557 173.9124 140 V 4.5144 7.5245 113.8071 59.0246 35.8832 172.7616 141 P 4.4675 0.0000 0.0000 63.5094 32.2017 176.9572 142 C 3.7888 8.6290 118.8893 56.8394 28.4511 173.2533 143 P 4.4720 0.0000 0.0000 64.5489 31.5034 179.1802 144 W 4.3996 8.0141 114.3836 58.0538 28.4637 176.4712 145 L 4.3394 7.3004 119.0211 55.0650 42.1084 176.3396 146 D 4.7358 7.8412 120.7369 55.5216 41.0944 177.6173 147 G 3.2052 8.8276 110.7779 45.3164 0.0000 173.9210 148 K 4.2333 7.3209 116.1625 56.1714 34.5911 176.1511 149 H 5.0353 8.3257 115.4353 53.5385 31.3704 173.2957 150 V 3.9384 8.7052 124.7621 62.8862 32.3987 174.8447 151 V 4.3980 8.6493 129.2625 62.4856 32.2221 175.3847 152 F 5.0334 8.6676 120.6528 55.8697 40.4592 173.9594 153 G 2.7884 6.5479 105.8814 45.9639 0.0000 172.0997 154 K 4.8424 7.4825 117.5304 55.2788 36.3353 175.4578 155 V 4.0429 8.4834 122.3295 63.0098 31.4909 175.5799 156 L 4.4516 8.9626 127.5034 55.9956 43.2627 176.4093 157 E 4.3403 7.8163 117.3262 55.2589 33.5720 175.8057 158 G 4.2121 8.7533 111.5225 47.0423 0.0000 175.1641 159 M 3.4845 7.8959 121.5329 58.2575 31.5978 178.4570 160 E 4.0361 7.9628 118.0268 58.9871 29.5681 179.3520 161 V 3.5343 7.5838 118.0802 65.9696 31.6066 177.8378 162 V 3.5402 7.8643 117.9451 66.2485 31.2308 178.1360 163 K 4.0351 8.2492 117.9603 59.4985 31.6094 179.5355 164 S 4.1332 8.0332 114.8755 61.6377 62.9753 176.4546 165 I 3.7769 7.9308 122.6481 64.3981 36.6080 178.0824 166 E 3.9009 8.2307 119.1552 59.1595 29.4981 178.5669 167 K 4.2452 7.7747 116.5773 58.0744 32.2649 176.9664 168 C 4.7600 7.6662 117.2822 58.8639 28.3926 173.4242 169 G 4.2643 7.7786 109.8106 44.0886 0.0000 172.9261 170 S 4.7315 8.0228 112.7131 56.7549 66.9870 175.3366 171 Q 4.0259 8.8163 121.3841 58.9332 28.4778 177.5769 172 N 4.6458 8.1866 112.1594 52.5005 37.8469 175.8042 173 G 4.3538 8.2468 109.2496 45.3069 0.0000 173.9865 174 K 4.2705 7.7032 119.4147 55.7986 32.3449 175.2203 175 P 4.6529 0.0000 0.0000 62.7187 31.9692 176.6773 176 T 4.2608 8.8323 112.3126 62.9244 69.5182 174.3711 177 K 4.7578 7.5089 119.6987 54.4738 36.9051 175.9848 178 S 4.3972 8.6886 117.1595 58.0836 63.5248 172.9731 179 V 4.9148 8.7091 128.5041 61.5792 33.3347 173.6489 180 C 4.8884 9.1363 128.9593 57.6046 34.7444 173.2196 181 I 4.5717 8.4859 127.1733 60.5159 36.0092 176.4062 182 T 3.4994 8.8048 118.4759 64.1165 69.5340 174.4466 183 A 4.8300 7.8811 122.0216 51.2655 22.7873 175.2262 184 S 4.5683 7.8446 112.2388 56.5667 66.6217 175.7430 185 G 3.8801 5.6798 107.6618 45.6908 0.0000 173.4472 186 V 4.0831 8.2651 115.6133 61.5741 32.0923 175.3976 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 14 L 8.04 4.42 0.00 1.58 1.64 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.79 5.00 0.00 3.07 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 16 F 9.58 4.85 0.00 3.06 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 17 Q 9.45 3.21 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.28 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 18 G 8.75 4.06 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 0.00 0.00 0.00 19 N 7.97 5.35 0.00 3.09 3.11 0.00 0.00 6.58 7.53 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 20 P 0.00 4.33 0.00 1.99 1.91 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 21 V 7.93 4.88 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 0.78 0.00 0.00 1.02 0.00 0.00 22 V 8.73 4.90 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 0.64 0.00 0.00 0.92 0.00 0.00 23 Y 8.44 5.27 0.00 3.12 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 24 F 9.47 5.53 0.00 2.98 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 25 D 9.45 5.38 0.00 2.72 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 26 I 8.80 5.11 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.30 0.94 0.00 0.00 27 S 8.88 5.20 0.00 3.78 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 28 I 8.95 4.55 1.89 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 1.18 0.94 0.94 0.00 0.00 29 G 9.27 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 0.00 0.00 0.00 30 Q 8.76 4.12 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 31 T 7.83 4.18 4.39 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 1.22 0.00 0.00 32 P 0.00 4.58 0.00 2.05 2.01 0.00 3.71 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 33 A 8.92 4.44 1.31 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 0.00 0.00 0.00 34 G 7.90 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 35 R 8.57 5.10 0.00 1.88 1.75 0.00 3.03 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 36 I 9.09 4.62 2.05 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 1.27 0.61 0.92 0.00 0.00 37 T 9.18 5.00 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 1.17 0.00 0.00 38 M 9.04 5.00 0.00 1.57 1.69 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 39 E 8.74 4.82 0.00 2.12 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 2.33 2.42 0.00 40 L 8.34 4.58 0.00 1.57 1.62 1.15 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.33 4.87 0.00 3.08 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 42 A 7.98 4.17 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 43 D 8.56 4.61 0.00 2.87 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 44 K 8.23 4.56 0.00 2.00 1.87 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.29 7.81 45 V 8.30 4.66 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 1.30 0.00 0.00 1.19 0.00 0.00 46 P 0.00 4.36 0.00 2.32 2.54 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 47 I 8.39 3.71 2.09 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.39 0.00 0.00 48 T 8.81 4.02 4.33 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 0.99 0.00 0.00 49 A 8.41 4.09 1.48 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 0.00 0.00 0.00 50 E 8.42 3.86 0.00 2.26 2.20 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 2.35 2.34 0.00 51 N 8.10 3.89 0.00 2.58 2.94 0.00 0.00 6.84 7.71 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 52 F 8.09 4.15 0.00 3.03 3.21 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 53 R 8.47 3.83 0.00 2.07 1.89 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 54 A 8.00 3.87 1.22 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 0.00 0.00 0.00 55 L 7.80 3.65 0.00 1.28 0.29 0.91 0.53 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 56 C 7.82 4.14 0.00 3.02 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 57 T 7.34 4.27 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 0.00 0.00 0.00 1.18 0.00 0.00 58 G 7.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.68 3.96 0.00 1.97 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 0.00 2.20 2.20 0.00 60 K 7.82 4.05 0.00 1.63 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.20 7.81 61 G 7.92 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 0.00 0.00 0.00 62 M 8.42 4.42 0.00 2.00 1.98 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 2.58 2.44 0.00 63 G 9.14 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 64 Q 8.77 4.13 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 65 S 8.45 4.16 0.00 4.01 4.07 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 66 G 8.12 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 0.00 0.00 0.00 67 K 7.60 4.71 0.00 1.95 1.90 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.81 1.45 7.81 68 P 0.00 4.53 0.00 1.95 1.93 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 69 L 8.29 3.72 0.00 1.62 1.41 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 C 5.78 4.57 0.00 2.56 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 71 Y 8.39 4.42 0.00 2.95 2.64 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 72 T 7.63 4.03 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 73 G 9.46 3.75 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 0.00 0.00 0.00 74 S 7.73 4.55 0.00 4.01 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 75 F 8.52 5.19 0.00 3.03 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 76 F 9.34 4.72 0.00 2.98 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 77 H 8.77 4.65 0.00 3.15 3.48 0.00 5.50 0.00 0.00 0.00 0.00 6.87 0.00 0.00 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0.00 86 Q 9.45 4.90 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.01 2.34 0.00 87 G 7.69 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 0.00 0.00 0.00 88 G 7.81 4.35 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 0.00 89 D 7.62 4.40 0.00 2.55 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.56 4.89 0.00 3.13 3.22 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 0.00 91 T 7.73 4.48 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 1.10 0.00 0.00 92 R 8.46 4.41 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 93 G 8.33 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 94 D 7.99 4.62 0.00 2.69 2.66 0.00 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0.00 0.00 0.00 0.00 112 V 8.15 3.55 1.74 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 -0.15 0.00 0.00 0.83 0.00 0.00 113 Y 7.71 4.71 0.00 3.14 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 0.00 114 T 8.32 4.57 4.60 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 1.27 0.00 0.00 115 H 9.57 4.59 0.00 3.24 3.26 0.00 5.78 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 0.00 116 D 7.83 5.06 0.00 2.69 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 0.00 117 A 7.62 4.86 1.22 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 0.00 0.00 0.00 118 P 0.00 4.01 0.00 0.91 1.75 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 119 F 8.43 4.01 0.00 3.26 3.14 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 0.00 120 L 7.51 4.62 0.00 1.52 1.40 1.01 0.47 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 0.00 121 L 8.12 4.53 0.00 0.55 0.13 -0.10 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.20 4.99 0.00 3.35 2.63 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 0.00 123 M 9.06 5.07 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 124 A 8.95 4.74 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 0.00 125 N 8.41 4.69 0.00 2.80 2.84 0.00 0.00 5.79 7.26 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 0.00 126 A 9.01 4.65 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 0.00 127 G 8.27 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 0.00 0.00 0.00 128 P 0.00 4.35 0.00 2.08 2.07 0.00 3.85 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.74 5.00 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 1.00 0.00 0.00 138 T 8.66 4.68 4.46 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 0.00 0.00 0.00 1.32 0.00 0.00 139 T 8.86 4.25 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 1.19 0.00 0.00 140 V 7.52 4.51 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 0.80 0.00 0.00 1.23 0.00 0.00 141 P 0.00 4.47 0.00 2.09 2.01 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 142 C 8.63 3.79 0.00 2.52 1.58 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 0.00 143 P 0.00 4.47 0.00 2.32 2.37 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 144 W 8.01 4.40 0.00 3.41 3.35 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 0.00 145 L 7.30 4.34 0.00 1.21 1.58 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.84 4.74 0.00 2.80 2.63 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 0.00 147 G 8.83 3.21 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 0.00 0.00 0.00 148 K 7.32 4.23 0.00 1.81 1.76 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.20 7.81 149 H 8.33 5.04 0.00 3.50 3.78 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.71 3.94 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 1.12 0.00 0.00 0.70 0.00 0.00 151 V 8.65 4.40 2.39 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 0.83 0.00 0.00 0.72 0.00 0.00 152 F 8.67 5.03 0.00 3.10 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 0.00 153 G 6.55 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 0.00 0.00 0.00 154 K 7.48 4.84 0.00 1.78 1.84 0.00 1.40 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.38 7.81 155 V 8.48 4.04 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 0.63 0.00 0.00 1.00 0.00 0.00 156 L 8.96 4.45 0.00 1.31 1.39 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.82 4.34 0.00 1.84 1.60 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 2.17 2.20 0.00 158 G 8.75 4.21 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 0.00 0.00 0.00 159 M 7.90 3.48 0.00 0.95 1.68 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 160 E 7.96 4.04 0.00 1.93 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 2.36 2.29 0.00 161 V 7.58 3.53 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 1.13 0.00 0.00 0.95 0.00 0.00 162 V 7.86 3.54 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 1.23 0.00 0.00 1.02 0.00 0.00 163 K 8.25 4.04 0.00 2.05 1.90 0.00 1.95 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.94 1.77 7.81 164 S 8.03 4.13 0.00 4.04 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 0.00 165 I 7.93 3.78 1.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.55 0.00 0.00 166 E 8.23 3.90 0.00 2.03 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 0.00 2.34 2.37 0.00 167 K 7.77 4.25 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.65 7.81 168 C 7.67 4.76 0.00 3.12 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 0.00 169 G 7.78 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 0.00 0.00 0.00 170 S 8.02 4.73 0.00 4.07 3.71 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 0.00 171 Q 8.82 4.03 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 172 N 8.19 4.65 0.00 2.81 2.91 0.00 0.00 6.21 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 0.00 173 G 8.25 4.35 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 0.00 174 K 7.70 4.27 0.00 1.80 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.58 7.81 175 P 0.00 4.65 0.00 2.15 2.03 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 176 T 8.83 4.26 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 1.28 0.00 0.00 177 K 7.51 4.76 0.00 1.63 1.72 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.43 7.81 178 S 8.69 4.40 0.00 3.91 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 0.00 179 V 8.71 4.91 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 0.96 0.00 0.00 0.99 0.00 0.00 180 C 9.14 4.89 0.00 2.96 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 0.00 181 I 8.49 4.57 1.70 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.55 0.51 0.00 0.00 182 T 8.80 3.50 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 1.25 0.00 0.00 183 A 7.88 4.83 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 0.00 184 S 7.84 4.57 0.00 4.03 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 0.00 185 G 5.68 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 0.00 0.00 0.00 186 V 8.27 4.08 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 0.69 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.