NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2953 8.2493 123.5817 50.9954 19.8925 176.4469 2 P 4.2928 0.0000 0.0000 59.9176 32.0340 173.6526 3 P 4.4828 0.0000 0.0000 62.3054 33.2649 175.2739 4 P 4.5492 0.0000 0.0000 62.4650 32.3620 176.1890 5 V 3.5548 8.2190 122.7465 62.6476 32.5709 174.6784 6 Y 5.1083 8.3677 125.0049 56.0891 40.3230 175.7429 7 D 5.0750 8.9672 123.9763 52.5599 41.3361 177.2146 8 T 4.0800 8.8067 108.4139 64.3024 68.7789 175.5562 9 E 4.3962 8.5494 120.0207 55.9680 29.6549 176.9004 10 G 3.8839 8.1876 106.9343 46.0207 0.0000 173.7716 11 H 4.8346 8.2854 117.1541 54.3675 29.8319 174.8808 12 E 4.3636 8.7863 122.0613 56.4269 30.1070 177.1407 13 L 3.9760 8.5844 123.6135 54.9146 42.7432 176.1146 14 S 5.0339 8.7836 116.5781 56.1797 65.3305 174.7162 15 A 4.6473 8.3335 126.2858 54.4005 18.0343 178.8860 16 D 4.3579 8.5602 115.2638 56.3915 41.1704 177.0980 17 G 3.8871 7.6655 107.6658 44.5057 0.0000 172.6789 18 S 4.9258 7.5907 113.8249 56.7193 66.9936 173.2277 19 Y 5.1238 8.7044 119.9315 56.3359 42.0254 174.5374 20 Y 4.5748 9.0093 122.5552 58.3970 39.6732 175.6653 21 V 4.8375 8.9456 123.4357 61.5563 32.6770 174.0501 22 L 5.1005 8.5443 127.1877 51.8312 43.4191 174.5104 23 P 4.7936 0.0000 0.0000 62.5919 32.0675 177.6774 24 A 4.1719 8.3131 124.8327 54.3517 18.6570 178.1148 25 S 4.7604 7.0921 108.7580 55.8193 66.8826 172.3310 26 P 4.6482 0.0000 0.0000 63.5062 31.6082 176.8159 27 G 3.9093 9.4457 108.5220 46.4808 0.0000 173.7302 28 H 4.7504 8.3395 113.3353 54.9659 29.7496 174.9004 29 G 3.8208 8.3531 108.7180 44.4496 0.0000 171.4760 30 G 4.5437 8.1321 107.8291 45.4629 0.0000 173.0002 31 G 4.6582 8.5437 109.3419 44.5598 0.0000 172.7076 32 L 5.2311 8.6295 118.7312 54.2358 43.8704 176.1842 33 T 5.0981 9.2200 116.6479 60.8434 71.8766 171.5917 34 M 5.4123 8.5431 119.5369 53.4673 33.3252 175.1390 35 A 4.9650 9.0757 123.1642 49.8179 23.2389 173.9846 36 P 4.6854 0.0000 0.0000 62.7797 32.5615 175.8782 37 R 4.4239 8.4886 119.2881 57.5704 31.2493 177.2179 38 V 4.3280 7.4275 112.5983 63.0129 33.7516 175.5314 39 L 4.3217 7.6779 119.7799 53.3632 42.1978 176.0644 40 P 4.3842 0.0000 0.0000 65.0203 31.7011 177.0948 41 C 5.0013 7.4403 115.7297 54.2701 44.0728 172.0720 42 P 4.7304 0.0000 0.0000 62.2853 32.1337 175.7557 43 L 4.4912 8.2255 118.8068 54.6978 43.1658 176.2048 44 L 5.0157 8.8914 122.1550 52.9131 45.4571 175.5762 45 V 4.6630 8.6608 121.2399 62.3460 32.4560 174.9128 46 A 5.1825 9.2100 129.7246 50.2118 22.4876 174.2337 47 Q 4.9283 8.4037 120.9336 54.0464 30.8839 175.4373 48 E 4.0501 9.1887 126.8316 56.9638 29.9171 178.5550 49 T 3.8061 8.5320 114.5250 63.9961 69.6522 174.2212 50 D 4.4970 7.8447 122.7011 52.9265 41.5740 176.2180 51 E 4.1934 8.7468 127.5356 58.6170 29.7798 178.4321 52 R 4.0276 8.3079 116.1251 57.3535 30.5612 176.4029 53 R 4.3181 7.9151 118.8136 54.6012 30.6835 177.3736 54 K 3.9928 8.4682 122.9843 56.7000 33.0801 178.6380 55 G 3.8642 7.6945 106.8240 45.7030 0.0000 172.2688 56 F 5.2503 8.4269 120.2838 55.1375 41.2202 174.5530 57 P 4.6949 0.0000 0.0000 62.9125 32.9416 175.3919 58 V 4.7805 8.7761 114.3514 59.7489 35.1805 174.7933 59 R 4.8284 8.4070 121.2707 54.4855 33.2977 174.9207 60 F 5.0457 8.6687 121.3643 56.2409 41.8319 174.9171 61 T 4.8173 8.6784 118.5896 60.9642 71.9908 171.7880 62 P 4.6363 0.0000 0.0000 62.4157 32.7178 175.6786 63 W 4.3461 8.4947 133.7797 58.8530 30.6876 175.6308 64 G 3.8768 9.4038 114.7753 44.3908 0.0000 174.7618 65 G 3.6858 7.9263 108.4357 46.1872 0.0000 177.1493 66 A 3.8801 8.7302 125.6359 54.4621 18.2991 178.0891 67 A 4.2857 7.5509 116.1430 52.3088 19.1958 177.5553 68 A 4.2213 7.6660 119.2287 50.7858 19.0638 175.8961 69 P 4.4007 0.0000 0.0000 62.8013 31.9325 177.0405 70 E 3.9572 8.6123 119.5954 59.2132 29.5519 177.0037 71 D 4.4630 7.9473 117.3078 54.6974 39.9435 174.8466 72 R 4.6457 8.1549 125.6443 56.0410 31.5801 176.1783 73 T 4.1500 7.8067 115.8987 64.0837 69.2221 173.9597 74 I 4.0584 8.1929 127.0651 60.5521 38.4001 175.2742 75 R 4.8716 8.1245 124.8677 53.8915 33.5109 175.9641 76 V 3.8479 8.4011 114.6625 61.6016 32.5710 175.8575 77 S 4.3071 8.7748 115.4934 58.9080 60.9687 172.7291 78 T 4.6561 7.6518 114.2666 61.4348 72.0091 174.0378 79 D 4.5462 8.6876 125.7806 55.0886 41.9496 175.9291 80 V 5.0796 9.0134 115.2386 60.0656 36.7798 174.5029 81 R 5.3741 9.2503 121.7423 55.1074 32.8970 175.5518 82 I 4.5575 8.0040 121.2831 59.3241 41.0162 174.6075 83 R 4.7966 7.9628 121.3230 54.2180 33.4793 174.0410 84 F 4.8006 8.4818 118.7703 57.4850 39.6581 176.4071 85 N 4.7673 9.0235 124.1189 51.2024 36.8247 173.4615 86 A 4.3752 7.5211 121.2527 50.2227 22.3077 176.5654 87 A 4.1011 8.4307 124.3929 52.2781 19.0569 177.0577 88 T 4.5478 8.0305 115.1109 60.0697 69.8709 175.0007 89 I 4.0067 8.3414 127.6014 63.2666 37.3465 177.2598 90 C 4.5584 8.0406 116.8006 55.9551 41.0302 173.4835 91 V 3.2379 7.2718 117.3980 64.0383 29.9391 171.4998 92 Q 4.6624 7.6235 114.4365 53.2809 33.2180 175.2962 93 S 4.1421 8.5526 113.2946 59.5708 62.9065 174.4775 94 T 4.6731 8.4085 115.2973 61.4487 69.3800 173.7646 95 E 4.5386 8.1438 124.9064 56.4445 30.7000 176.0576 96 W 5.1743 9.2184 127.3046 57.1433 30.2142 175.0743 97 H 5.4314 9.5010 118.1250 54.9125 32.1457 172.0324 98 V 4.6049 8.6109 118.6352 61.1577 33.5135 175.8800 99 G 3.6535 8.9075 116.6919 48.5549 0.0000 174.4009 *107 R 4.3215 8.3110 118.8225 55.7524 32.2026 177.1723 108 R 4.5855 9.1761 110.1963 55.9869 32.1844 176.7814 109 V 4.2456 8.4878 122.3237 62.0918 32.9078 175.1526 110 V 4.7169 8.7367 127.4892 61.4690 35.3105 174.5202 111 T 5.2183 7.8540 115.0182 60.0249 71.5618 173.7352 112 G 3.8647 8.5859 110.4428 44.2435 0.0000 171.4977 113 P 4.5199 0.0000 0.0000 62.3597 32.5166 178.3035 114 L 4.0107 8.0335 121.5018 54.4762 42.3091 175.0672 *121 G 3.7138 8.2992 109.9853 47.7001 0.0000 173.0159 122 R 4.0337 8.8413 116.2475 57.0758 27.8956 178.3231 123 E 4.0120 7.9084 119.3727 58.8340 29.5092 178.1322 124 N 5.3595 8.2909 113.7039 52.4677 37.8604 173.8160 125 A 4.5440 7.6689 122.1701 51.3810 20.3122 177.2191 126 F 5.3744 9.1728 120.2693 55.9333 44.1131 173.8825 127 R 5.0241 9.1514 117.4484 54.9290 35.1231 174.4066 128 V 4.9448 8.2781 119.8428 61.3500 34.5849 174.1159 129 E 5.1512 9.1037 125.8827 54.0169 33.4848 175.1630 130 K 4.2870 8.9379 125.1758 57.0298 33.2644 175.5757 131 Y 4.5607 9.2482 126.3115 57.7437 43.2477 173.7130 132 G 3.3603 7.7763 116.0135 47.2084 0.0000 174.1885 133 G 4.0233 8.7299 114.1336 45.4243 0.0000 172.0183 134 G 3.9209 7.4438 114.5813 45.9888 0.0000 175.9803 135 Y 5.6282 9.3339 123.1215 55.6675 42.4193 172.9228 136 K 4.9879 9.3024 120.3269 55.3032 36.0224 175.0060 137 L 5.3218 8.4964 120.8571 53.8391 44.2984 175.9010 138 V 4.9361 8.8189 114.6140 59.7412 36.2456 174.5083 139 S 4.4843 9.1538 120.1751 57.1088 63.5921 173.6731 140 C 5.1800 8.1337 126.4782 56.5208 39.2979 175.4873 141 R 4.0308 8.2256 120.7059 58.9530 30.9072 175.4015 142 D 4.4768 7.9644 113.0917 54.1994 42.7690 176.8816 143 S 4.5014 5.8100 107.6637 57.3026 65.2227 173.9965 144 C 4.6861 8.4916 119.1707 57.1239 41.1830 173.1747 145 Q 4.7618 9.1844 123.1550 53.7906 31.8639 175.0320 146 D 4.7304 8.7681 123.6587 54.4802 42.5406 175.0563 147 L 5.0739 8.9085 122.5620 53.7332 43.8089 176.1035 148 G 4.6680 9.3910 110.0624 44.6973 0.0000 170.8315 149 V 5.0379 8.3607 118.6801 61.1127 34.0625 175.0849 150 S 4.6873 8.8102 122.1041 56.5146 66.2990 173.4311 151 R 4.2789 8.7127 126.0659 56.4888 30.7927 176.4111 152 D 4.7154 9.4977 125.8662 53.2513 43.1564 177.0260 153 G 3.9155 8.1856 117.7352 46.4044 0.0000 173.8875 154 A 4.1889 8.9951 128.3996 52.9852 18.9133 177.9120 155 R 4.5220 7.6531 114.0747 53.8143 34.5088 174.4551 156 A 4.7905 7.6273 121.5746 49.9306 22.0153 175.0137 157 W 5.1995 8.9412 122.8859 54.7001 32.5349 174.9124 158 L 4.7869 8.9894 126.5002 54.7777 43.0290 175.8986 159 G 4.5738 8.9731 111.8663 44.8743 0.0000 171.5841 160 A 4.8624 8.7776 122.5036 53.0133 18.3604 177.2258 161 S 4.5935 8.2670 114.4388 58.8803 66.2824 175.5788 162 Q 4.6762 8.6996 119.7428 53.4585 30.8071 174.1596 163 P 4.6610 0.0000 0.0000 60.9524 32.7056 174.1547 164 P 4.4144 0.0000 0.0000 63.0494 31.7001 175.4118 165 H 4.6586 8.6729 121.2304 55.4681 30.4833 174.7350 166 V 4.2705 8.3098 126.8777 62.6564 32.7771 175.1579 167 V 4.9956 9.1608 120.3594 59.7416 36.3833 174.6665 168 V 4.6254 8.7260 114.7508 59.5872 36.4573 174.8245 169 F 5.3839 8.5820 119.8561 55.9414 41.6451 174.5782 170 K 5.0023 9.1732 126.8915 53.8115 33.3955 175.6286 171 K 4.3174 9.0341 129.7418 56.3603 32.9535 176.3610 172 A 4.4621 8.5093 128.6934 52.2827 18.0145 177.0831 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 A 8.25 4.30 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 2 P 0.00 4.29 0.00 2.35 2.07 0.00 3.76 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 1.98 1.99 0.00 3 P 0.00 4.48 0.00 2.18 2.30 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 4 P 0.00 4.55 0.00 1.20 1.72 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 5 V 8.22 3.55 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 -0.27 0.00 0.00 0.38 0.00 0.00 6 Y 8.37 5.11 0.00 3.21 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 7 D 8.97 5.07 0.00 3.39 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 8 T 8.81 4.08 4.32 0.00 0.00 0.00 0.00 0.00 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 9 E 8.55 4.40 0.00 2.26 2.05 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 2.35 2.39 0.00 10 G 8.19 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 11 H 8.29 4.83 0.00 3.56 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.79 4.36 0.00 1.98 1.79 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 2.18 2.52 0.00 13 L 8.58 3.98 0.00 1.12 0.98 0.49 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.78 5.03 0.00 3.92 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 15 A 8.33 4.65 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 16 D 8.56 4.36 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.67 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.59 4.93 0.00 3.51 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.70 5.12 0.00 3.09 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 20 Y 9.01 4.57 0.00 3.09 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 21 V 8.95 4.84 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 1.21 0.00 0.00 1.33 0.00 0.00 22 L 8.54 5.10 0.00 1.67 1.56 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.79 0.00 2.22 1.96 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.19 0.00 24 A 8.31 4.17 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 25 S 7.09 4.76 0.00 3.73 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 26 P 0.00 4.65 0.00 2.05 2.08 0.00 3.78 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 27 G 9.45 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.34 4.75 0.00 3.21 3.32 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.35 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 0.00 0.00 0.00 30 G 8.13 4.54 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 0.00 0.00 0.00 31 G 8.54 4.66 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 0.00 0.00 0.00 32 L 8.63 5.23 0.00 2.10 2.03 1.29 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.22 5.10 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 1.17 0.00 0.00 34 M 8.54 5.41 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 35 A 9.08 4.97 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 36 P 0.00 4.69 0.00 2.30 2.27 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 37 R 8.49 4.42 0.00 0.91 1.58 0.00 2.21 0.00 0.00 2.61 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 0.00 38 V 7.43 4.33 2.05 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 0.89 0.00 0.00 0.94 0.00 0.00 39 L 7.68 4.32 0.00 1.72 1.68 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.38 0.00 2.19 2.20 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 41 C 7.44 5.00 0.00 2.94 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 P 0.00 4.73 0.00 2.27 2.15 0.00 3.73 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 1.94 1.98 0.00 43 L 8.23 4.49 0.00 1.68 1.68 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.89 5.02 0.00 1.34 1.41 0.72 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.66 4.66 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 0.61 0.00 0.00 -0.09 0.00 0.00 46 A 9.21 5.18 0.90 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 47 Q 8.40 4.93 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 48 E 9.19 4.05 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 49 T 8.53 3.81 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 1.09 0.00 0.00 50 D 7.84 4.50 0.00 2.65 2.54 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 51 E 8.75 4.19 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 52 R 8.31 4.03 0.00 1.89 1.92 0.00 3.17 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 53 R 7.92 4.32 0.00 1.93 1.77 0.00 3.19 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 54 K 8.47 3.99 0.00 1.34 1.27 0.00 1.06 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.18 7.81 55 G 7.69 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 56 F 8.43 5.25 0.00 2.61 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 57 P 0.00 4.69 0.00 1.86 1.27 0.00 3.90 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 2.01 1.72 0.00 58 V 8.78 4.78 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 0.41 0.00 0.00 0.47 0.00 0.00 59 R 8.41 4.83 0.00 1.50 1.70 0.00 3.36 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.71 0.00 60 F 8.67 5.05 0.00 2.81 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 61 T 8.68 4.82 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 1.19 0.00 0.00 62 P 0.00 4.64 0.00 2.09 2.01 0.00 3.61 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 2.11 2.09 0.00 63 W 8.49 4.35 0.00 3.45 3.04 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 64 G 9.40 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 65 G 7.93 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 66 A 8.73 3.88 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 67 A 7.55 4.29 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 68 A 7.67 4.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.05 2.03 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 2.14 0.00 70 E 8.61 3.96 0.00 1.95 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 2.31 2.29 0.00 71 D 7.95 4.46 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 4.65 0.00 1.76 1.89 0.00 3.34 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 73 T 7.81 4.15 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 1.08 0.00 0.00 74 I 8.19 4.06 1.35 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 1.16 0.61 0.24 0.00 0.00 75 R 8.12 4.87 0.00 1.55 1.79 0.00 3.16 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.66 0.00 76 V 8.40 3.85 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 0.77 0.00 0.00 1.02 0.00 0.00 77 S 8.77 4.31 0.00 3.94 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 78 T 7.65 4.66 4.34 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 1.20 0.00 0.00 79 D 8.69 4.55 0.00 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1.57 1.61 0.00 142 D 7.96 4.48 0.00 2.60 2.34 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 0.00 143 S 5.81 4.50 0.00 4.06 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 0.00 144 C 8.49 4.69 0.00 2.86 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 0.00 145 Q 9.18 4.76 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 146 D 8.77 4.73 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 5.07 0.00 1.80 1.68 1.25 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.39 4.67 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 0.00 0.00 0.00 149 V 8.36 5.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.76 0.00 0.00 150 S 8.81 4.69 0.00 3.88 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 0.00 151 R 8.71 4.28 0.00 1.77 1.82 0.00 3.31 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 152 D 9.50 4.72 0.00 2.94 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 0.00 153 G 8.19 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 0.00 154 A 9.00 4.19 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 0.00 155 R 7.65 4.52 0.00 1.40 0.66 0.00 2.43 0.00 0.00 2.77 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 156 A 7.63 4.79 1.08 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 0.00 157 W 8.94 5.20 0.00 3.26 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 0.00 158 L 8.99 4.79 0.00 1.74 1.41 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.97 4.57 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 0.00 0.00 0.00 160 A 8.78 4.86 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 0.00 161 S 8.27 4.59 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 8.70 4.68 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 163 P 0.00 4.66 0.00 2.25 2.11 0.00 3.81 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 2.03 2.00 0.00 164 P 0.00 4.41 0.00 1.92 1.87 0.00 3.79 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.00 165 H 8.67 4.66 0.00 3.18 3.35 0.00 5.94 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.31 4.27 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 1.01 0.00 0.00 1.19 0.00 0.00 167 V 9.16 5.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.88 0.00 0.00 168 V 8.73 4.63 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 0.84 0.00 0.00 0.98 0.00 0.00 169 F 8.58 5.38 0.00 3.01 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 0.00 170 K 9.17 5.00 0.00 2.01 1.99 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.37 7.81 171 K 9.03 4.32 0.00 2.19 1.80 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 0.91 7.81 172 A 8.51 4.46 0.99 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.