NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2685 8.2033 121.7003 56.1727 31.2655 177.3498 5 L 3.5699 7.6299 117.5438 56.6953 41.3923 177.5268 6 R 3.8664 8.0259 117.2318 59.3675 30.5807 177.6746 7 K 4.0981 7.9333 118.7136 59.4859 32.2781 178.6450 8 K 4.4565 7.8375 119.6702 59.4181 32.0759 179.3326 9 T 4.1336 8.2291 115.2070 65.5836 68.2984 176.6715 10 L 3.9748 8.0660 123.3045 58.1048 42.2902 178.5017 11 E 3.9699 8.1761 117.7940 59.2672 29.2005 178.9737 12 A 3.9844 8.3790 121.0976 55.3958 18.3423 179.7630 13 L 3.8709 7.7148 115.1938 57.3283 41.7060 179.3392 14 S 4.3729 7.8734 114.5456 60.9406 63.0824 176.0164 15 A 4.0997 8.1736 123.0293 53.8673 18.4816 178.1801 16 L 4.0768 6.8765 117.2534 54.6207 42.4471 177.9183 17 S 4.4958 8.5274 117.6657 57.9208 65.5470 175.2082 18 N 4.4253 8.5585 119.3281 56.0958 38.2484 177.3805 19 E 3.9702 8.0905 120.7581 59.0686 29.8021 178.1671 20 D 4.3119 8.3844 119.2724 57.6129 40.8773 178.3532 21 I 3.5983 7.6743 119.9856 64.6402 36.9623 177.8147 22 L 3.8929 7.8481 120.0947 58.8022 42.1437 178.7867 23 Q 4.0081 8.2188 119.1118 58.8811 28.5227 177.9765 24 K 3.8081 8.5181 119.8461 59.8993 32.1105 179.5565 25 T 3.4960 7.7273 108.0944 64.1453 68.5556 175.8011 26 E 4.1234 7.8681 122.6312 59.0971 29.8795 180.1113 27 R 4.1650 7.3248 117.5743 56.2870 29.6512 178.4358 *29 Y 4.1039 8.0081 117.1739 57.7690 39.9788 177.7774 30 K 3.8969 7.5924 119.2464 59.5552 32.5715 178.1714 31 Y 4.4734 7.5543 118.2731 60.5946 37.5225 178.4001 32 L 3.8436 7.5761 120.6142 57.9897 41.9579 178.3210 33 F 4.0187 7.4608 115.7944 58.5553 39.0570 176.7476 34 S 4.6712 7.7806 113.1066 57.4540 63.7003 173.3102 35 L 4.6883 7.2385 122.7040 53.2768 42.9445 175.8332 36 P 4.4282 0.0000 0.0000 65.7841 31.0853 178.7645 37 E 3.9741 8.3508 114.8018 58.5281 29.4697 178.2649 38 W 4.4661 8.0336 128.7308 59.7590 31.2131 177.5716 39 Q 4.0086 8.7152 118.5573 58.9958 28.5014 176.8990 40 N 4.5042 8.6489 115.8727 54.0461 39.4686 175.4565 41 A 3.8934 7.3565 121.7138 52.9477 18.7526 177.2499 42 G 4.0036 9.1330 109.6980 46.5165 0.0000 173.0480 43 T 5.0600 7.4917 115.0811 61.0346 71.0007 172.1600 44 I 4.9994 8.8320 128.8056 59.3962 41.1799 174.0567 45 A 5.4751 8.3975 126.4415 49.4683 20.7236 176.2990 46 V 4.6687 8.3215 120.6903 61.0795 35.0793 172.8132 47 T 4.8946 8.4351 110.7926 59.7883 71.7685 174.0781 48 I 3.8383 8.0522 123.7011 60.0433 36.8964 176.4490 49 S 4.5091 8.0174 120.5483 58.4770 63.7730 173.6103 50 R 4.5792 8.6688 116.2007 55.9031 33.1325 177.9859 51 G 3.7335 8.1267 109.0012 47.3746 0.0000 175.2579 52 L 4.4339 8.6718 124.0610 54.3695 41.9369 176.4808 53 E 4.1664 8.0276 119.2216 55.8818 29.9450 176.7240 54 I 3.6399 8.4825 122.2262 60.6015 38.2737 173.7605 55 P 4.4415 0.0000 0.0000 63.6429 31.3450 176.5005 56 T 4.5551 9.7355 114.2795 61.4219 68.9725 176.3520 57 R 3.1171 7.7478 122.6824 59.3295 30.1013 176.6017 58 P 3.9661 0.0000 0.0000 65.2571 31.0105 178.8000 59 V 3.6454 7.2751 116.9234 65.8818 31.3904 178.0358 60 I 3.3627 7.3340 119.6913 63.9963 36.9324 178.1128 61 E 3.8027 7.9685 119.5652 59.6608 29.1356 179.3076 62 Q 3.8715 7.8268 116.2540 59.6909 28.7896 178.2840 63 A 3.8697 7.9755 121.2187 54.4991 18.1376 179.1361 64 W 4.2535 7.9213 115.5792 59.8782 29.3211 178.5370 65 E 4.0538 8.3505 117.9564 58.2435 29.1029 177.6874 66 E 4.6344 9.0896 118.6480 55.0793 29.7917 176.2277 67 G 4.1386 7.9840 106.2119 46.5963 0.0000 174.2426 68 K 4.5158 7.1357 115.0592 54.6552 33.8721 177.0954 69 Q 4.4313 8.4759 121.7502 56.1171 30.3636 175.4926 70 V 5.0302 8.4237 120.5470 61.6025 35.3532 173.4930 71 C 5.6718 9.6270 123.1025 56.5492 32.7670 173.6066 72 I 5.7672 8.6095 116.2110 58.0428 40.2423 172.6790 73 P 3.7423 0.0000 0.0000 61.9365 32.2875 175.8904 74 K 4.1626 8.2413 124.7730 54.7190 33.1102 174.9469 75 C 4.0139 8.0329 124.5024 59.3266 29.4140 173.2665 76 H 4.8318 8.6496 120.3775 53.7008 29.1253 174.4202 77 P 4.7576 0.0000 0.0000 63.6639 31.5770 177.1748 78 D 4.3910 7.6916 120.5371 55.2037 40.7307 179.2146 79 T 4.6822 7.9683 119.2679 61.1898 71.6652 175.9723 80 K 3.8305 8.4146 125.5848 56.6592 32.3377 176.5515 81 K 4.2507 7.7254 121.8167 55.8054 33.1864 175.3403 *83 Q 4.4943 8.2287 118.3557 56.0198 30.2702 174.1811 84 F 4.8387 8.8423 121.5702 56.9230 40.6642 174.6268 85 R 5.0685 8.8268 122.3266 54.1159 33.1890 175.3781 86 T 4.0702 8.7447 117.5919 62.8561 68.2035 172.8015 87 Y 5.0221 9.6135 131.0120 55.6821 40.0636 175.0304 88 Q 3.8795 8.9852 126.0089 56.1855 29.3636 176.6563 89 T 2.0000 7.0176 117.7624 62.2033 68.8731 172.3600 90 D 4.5780 6.6148 125.0398 52.1236 43.2937 175.9943 91 D 4.4905 8.6896 126.5266 56.6915 41.2748 176.8187 92 Q 4.5881 7.7207 118.3937 55.8267 29.2330 177.3669 93 L 4.1973 8.0640 122.3858 58.4388 41.7102 178.2026 94 E 3.9682 8.3693 118.6124 60.0738 29.5067 178.8488 95 T 3.9341 8.0632 114.8337 66.6499 68.5333 176.6408 96 V 4.2702 7.8287 121.5604 65.5846 31.4697 177.0203 97 Y 4.2004 8.3395 112.6793 58.5233 37.7797 176.3423 98 A 4.7443 7.4886 120.8362 51.0932 19.9335 177.4068 99 G 3.8281 7.9424 105.1418 46.0564 0.0000 174.3366 100 L 4.6110 7.3902 116.4843 53.3853 42.4310 176.1127 101 L 4.2044 7.2866 116.9933 54.4728 44.7826 172.9342 102 E 4.5690 8.8452 126.5427 54.1813 30.5049 174.3159 103 P 4.4050 0.0000 0.0000 62.9800 32.3463 176.1263 104 V 4.1593 7.9865 132.0573 61.6109 30.4566 177.7556 *106 E 4.1913 8.5440 110.7108 55.9498 30.3336 176.8775 107 K 4.2497 8.0269 116.3964 58.5353 33.3679 177.3909 108 T 4.2210 7.2776 115.6460 63.2885 69.4255 173.8282 109 K 3.7347 8.5251 123.8931 56.7373 29.5940 174.4406 110 E 4.2127 8.1696 120.8004 55.9533 30.8158 176.4921 111 V 4.1353 8.2876 122.7996 61.8461 32.0478 175.7223 112 N 4.6393 8.9697 125.9689 52.6343 39.3833 174.5688 113 P 4.6274 0.0000 0.0000 65.1241 31.7457 179.0386 114 S 4.1852 8.1348 111.4721 61.3257 63.0650 174.8309 115 Q 4.3015 8.1434 117.7582 55.7841 28.1977 175.7094 116 I 4.3743 7.3514 119.6611 59.1982 37.1559 175.1337 117 D 4.3360 7.9691 127.1317 56.2315 41.2221 180.1167 118 L 4.5852 7.8095 127.3692 54.6324 46.2355 174.7122 *120 I 4.4223 8.1406 117.9473 61.5825 38.2033 175.2971 121 V 4.4882 8.6898 127.9662 60.5530 33.2039 173.3731 122 P 4.9500 0.0000 0.0000 62.3652 32.7932 174.7955 123 G 3.6725 8.3684 105.0437 45.9291 0.0000 173.3239 124 V 4.0658 7.7148 120.4622 64.6598 32.3012 176.1157 125 C 5.4107 7.5147 116.2886 58.0615 32.4672 173.1667 126 F 5.4381 9.6442 120.0047 55.9650 43.3511 173.4271 127 D 5.8500 8.9484 121.2896 50.8488 41.9263 177.8202 128 V 3.7164 8.7842 113.0510 63.8365 31.6801 176.6764 129 N 4.7059 8.4547 116.0205 53.0383 38.9275 175.6954 130 G 3.9080 8.8773 107.7222 45.5379 0.0000 173.0482 131 F 5.0872 9.2167 118.8981 56.0154 41.1096 175.1200 132 R 4.6804 8.3101 116.5105 54.7915 33.0397 174.6821 133 V 3.8593 8.4305 121.2160 61.2444 32.4309 176.5148 134 G 3.8212 8.1758 119.2099 45.5768 0.0000 171.2776 135 F 4.2873 8.6930 116.2537 56.9389 40.1050 174.9581 136 G 3.9153 9.3629 106.1958 44.4325 0.0000 175.1193 137 G 3.6012 8.4292 106.0237 46.1723 0.0000 174.6398 138 G 3.9160 7.6964 108.2060 46.8247 0.0000 175.0557 139 Y 4.4144 7.7694 121.7321 61.3981 38.5153 177.7510 140 Y 4.1770 8.4740 117.2309 60.7213 37.8955 177.3874 141 D 4.5069 8.4313 119.0389 57.7500 41.3832 178.4998 142 R 4.1836 7.6440 118.1569 58.8442 29.6109 177.8585 143 Y 3.9592 7.8568 119.7786 60.6855 38.7582 177.8240 144 L 4.3474 8.9439 120.5034 57.9534 41.4951 179.3477 145 S 4.2986 7.8143 110.6098 60.0481 62.4474 174.5429 146 E 4.4243 7.8736 119.5514 55.1577 30.4250 174.2989 147 Y 4.6697 7.2661 120.0844 57.0180 40.1741 175.5088 148 E 4.1102 7.9175 125.1430 56.9900 31.4510 176.3961 149 G 3.6784 5.9491 105.7988 44.0962 0.0000 172.6467 150 K 4.4497 7.7064 116.0195 56.7302 32.9382 177.5614 151 T 4.8418 8.5583 113.2495 60.1534 71.8281 172.9587 152 V 4.9181 8.5811 125.0190 59.7641 35.4994 174.4323 153 S 5.0067 9.5305 118.5112 56.8070 66.2458 173.0900 154 L 4.8463 7.6254 126.1463 53.6944 42.7623 175.9819 155 L 4.2946 8.2041 120.9576 55.1940 44.1011 173.6323 156 L 4.6349 8.5405 120.2253 53.4951 43.4797 177.9106 157 E 3.8287 8.8113 120.9788 59.7384 29.5149 178.9344 158 C 4.2865 7.9120 110.4503 59.1291 30.0745 173.8129 159 Q 4.3835 8.0191 119.7227 56.1822 29.2842 175.0472 160 L 4.8789 7.1079 120.1227 54.1617 43.1569 175.6205 161 F 4.9041 9.2926 122.9236 55.2737 43.1536 175.5518 162 A 4.0700 8.9718 125.6639 55.6549 18.2320 177.5728 163 H 4.6840 7.5862 110.2549 55.7401 32.4920 172.8881 164 V 4.4025 7.9067 116.1693 58.3283 35.2842 173.7591 165 P 3.9884 0.0000 0.0000 63.1881 31.0849 176.4301 166 R 4.1843 8.2121 124.1515 54.2548 30.5767 174.1487 167 L 4.4674 8.1532 125.2661 52.9147 42.8576 174.9631 168 P 4.0360 0.0000 0.0000 62.6372 32.4510 174.7263 169 H 4.0407 8.8576 118.7575 57.5966 27.7441 173.9136 170 D 5.1203 8.3060 116.1884 52.0434 42.9622 175.7509 171 I 4.4751 8.3228 124.3676 58.7507 39.1930 173.8805 172 P 4.1591 0.0000 0.0000 61.8253 32.1722 175.9415 173 V 3.8696 8.3481 120.4542 61.2556 32.2125 176.3339 174 H 4.4465 8.2217 121.3092 57.7434 29.2222 176.0094 175 K 4.8046 8.1833 117.0197 54.6018 36.6780 175.3275 176 L 5.1626 8.8968 124.5587 52.8802 44.8094 175.3873 177 I 4.3180 8.8592 125.3955 59.7966 39.6856 174.8967 178 T 5.8065 8.0069 117.8115 58.5430 71.3613 174.0080 179 E 4.1004 8.8452 118.1279 58.4173 29.0669 176.1489 180 D 4.6413 7.2989 117.6789 55.1455 44.0152 176.8753 181 R 4.2810 8.1441 114.7031 55.7989 31.1967 176.2290 182 I 4.7528 7.3346 117.3335 57.6308 37.6307 174.6645 183 I 3.8419 7.6333 123.9838 61.5595 38.2082 176.8266 184 S 5.0906 8.2702 120.3480 57.4711 63.5700 174.8918 185 C 4.1844 8.1759 115.7317 58.9772 29.8594 174.1264 186 F 4.2436 8.9699 122.5149 57.3934 38.7530 175.7725 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 4 Q 8.20 4.27 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 5 L 7.63 3.57 0.00 1.56 1.23 0.51 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.03 3.87 0.00 1.72 1.95 0.00 3.22 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 7 K 7.93 4.10 0.00 1.86 1.93 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.90 1.54 7.81 8 K 7.84 4.46 0.00 2.19 2.05 0.00 1.78 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.53 7.81 9 T 8.23 4.13 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 10 L 8.07 3.97 0.00 1.78 1.94 0.95 1.22 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 11 E 8.18 3.97 0.00 2.26 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 2.42 2.46 0.00 12 A 8.38 3.98 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 13 L 7.71 3.87 0.00 1.77 1.77 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.87 4.37 0.00 4.06 3.93 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 15 A 8.17 4.10 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 16 L 6.88 4.08 0.00 1.72 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.53 4.50 0.00 4.05 3.99 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 18 N 8.56 4.43 0.00 2.84 2.92 0.00 0.00 6.45 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 19 E 8.09 3.97 0.00 2.03 1.93 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 2.36 2.39 0.00 20 D 8.38 4.31 0.00 2.92 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 21 I 7.67 3.60 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.91 0.00 0.00 22 L 7.85 3.89 0.00 1.85 1.86 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.22 4.01 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 24 K 8.52 3.81 0.00 1.72 1.77 0.00 1.68 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.56 7.81 25 T 7.73 3.50 3.65 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 1.14 0.00 0.00 26 E 7.87 4.12 0.00 2.36 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 2.30 2.40 0.00 27 R 7.32 4.16 0.00 1.80 1.59 0.00 3.09 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 *29 Y 8.01 4.10 0.00 2.92 2.23 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 30 K 7.59 3.90 0.00 1.58 1.73 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.39 7.81 31 Y 7.55 4.47 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.58 3.84 0.00 1.45 1.11 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.46 4.02 0.00 2.95 2.85 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 34 S 7.78 4.67 0.00 4.15 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 35 L 7.24 4.69 0.00 1.95 1.73 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.43 0.00 2.22 2.17 0.00 3.69 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 37 E 8.35 3.97 0.00 2.22 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 2.41 2.53 0.00 38 W 8.03 4.47 0.00 3.61 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 4.01 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 40 N 8.65 4.50 0.00 2.80 2.85 0.00 0.00 6.98 7.96 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 41 A 7.36 3.89 1.16 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 42 G 9.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.49 5.06 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 1.37 0.00 0.00 44 I 8.83 5.00 1.81 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.35 1.00 0.00 0.00 45 A 8.40 5.48 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.32 4.67 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 0.78 0.00 0.00 1.03 0.00 0.00 47 T 8.44 4.89 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 1.40 0.00 0.00 48 I 8.05 3.84 1.59 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.95 5.85 0.00 2.93 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 0.00 128 V 8.78 3.72 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 0.76 0.00 0.00 1.02 0.00 0.00 129 N 8.45 4.71 0.00 3.13 3.14 0.00 0.00 7.08 7.65 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 0.00 130 G 8.88 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 0.00 131 F 9.22 5.09 0.00 3.37 2.89 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 0.00 132 R 8.31 4.68 0.00 0.67 1.03 0.00 2.70 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.18 0.00 133 V 8.43 3.86 1.88 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 0.78 0.00 0.00 0.78 0.00 0.00 134 G 8.18 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 0.00 135 F 8.69 4.29 0.00 3.14 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 9.36 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 0.00 137 G 8.43 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 0.00 138 G 7.70 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 0.00 139 Y 7.77 4.41 0.00 3.06 2.80 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 0.00 140 Y 8.47 4.18 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.51 0.00 2.90 2.82 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 0.00 142 R 7.64 4.18 0.00 2.04 1.97 0.00 3.15 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 143 Y 7.86 3.96 0.00 3.25 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 0.00 144 L 8.94 4.35 0.00 1.92 1.86 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.81 4.30 0.00 4.03 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 0.00 146 E 7.87 4.42 0.00 1.90 1.71 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 2.16 2.27 0.00 147 Y 7.27 4.67 0.00 3.10 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 0.00 148 E 7.92 4.11 0.00 1.75 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 2.11 2.13 0.00 149 G 5.95 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 0.00 0.00 0.00 150 K 7.71 4.45 0.00 1.75 1.85 0.00 1.95 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.58 7.81 151 T 8.56 4.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 152 V 8.58 4.92 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 0.86 0.00 0.00 0.91 0.00 0.00 153 S 9.53 5.01 0.00 3.57 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.63 4.85 0.00 1.52 1.49 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.20 4.29 0.00 1.48 1.24 0.71 -0.67 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 0.00 156 L 8.54 4.63 0.00 1.70 1.74 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.81 3.83 0.00 2.20 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 2.27 2.36 0.00 158 C 7.91 4.29 0.00 3.00 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 0.00 159 Q 8.02 4.38 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.98 0.00 0.00 0.00 0.00 0.00 2.73 2.33 0.00 160 L 7.11 4.88 0.00 1.57 1.59 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 161 F 9.29 4.90 0.00 3.05 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 0.00 162 A 8.97 4.07 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 0.00 163 H 7.59 4.68 0.00 3.05 3.14 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.91 4.40 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 0.77 0.00 0.00 0.94 0.00 0.00 165 P 0.00 3.99 0.00 1.95 1.95 0.00 3.49 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 166 R 8.21 4.18 0.00 1.03 1.38 0.00 3.12 0.00 0.00 2.98 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 167 L 8.15 4.47 0.00 1.67 1.56 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.04 0.00 2.06 1.98 0.00 3.74 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 2.02 2.11 0.00 169 H 8.86 4.04 0.00 3.34 3.44 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.31 5.12 0.00 2.93 2.95 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 0.00 171 I 8.32 4.48 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.51 0.92 0.00 0.00 172 P 0.00 4.16 0.00 1.75 0.49 0.00 3.61 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 1.73 1.56 0.00 173 V 8.35 3.87 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 0.90 0.00 0.00 1.04 0.00 0.00 174 H 8.22 4.45 0.00 3.08 3.03 0.00 5.59 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.18 4.80 0.00 1.61 1.62 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.74 7.81 176 L 8.90 5.16 0.00 1.53 1.40 0.91 0.57 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 0.00 177 I 8.86 4.32 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.87 0.81 0.00 0.00 178 T 8.01 5.81 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 1.11 0.00 0.00 179 E 8.85 4.10 0.00 2.06 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 2.20 2.28 0.00 180 D 7.30 4.64 0.00 2.82 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 0.00 181 R 8.14 4.28 0.00 1.83 2.01 0.00 3.07 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 182 I 7.33 4.75 1.67 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.73 0.71 0.00 0.00 183 I 7.63 3.84 1.84 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 1.40 0.52 1.01 0.00 0.00 184 S 8.27 5.09 0.00 3.90 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 0.00 185 C 8.18 4.18 0.00 3.15 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 0.00 186 F 8.97 4.24 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.