NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0492 8.1545 114.0526 61.0152 33.1358 176.1853 *2 R 3.9373 8.4792 118.6904 57.1054 29.3898 172.7088 3 S 4.9256 8.2973 111.6226 57.2641 66.6866 172.9798 4 L 4.6780 8.9746 121.7889 53.3469 44.8917 174.9955 5 N 5.5953 8.3848 116.2013 51.7241 42.5900 174.0380 6 S 5.6272 9.6127 118.2256 56.9560 67.1560 172.8889 7 I 5.6462 9.1460 123.4470 59.5397 40.6625 174.6938 8 V 4.8910 9.2187 127.1796 60.3593 35.3563 173.1984 9 A 5.2164 8.7544 123.0660 50.4165 21.0819 176.3185 10 V 4.9630 8.8055 115.6495 59.8823 36.3719 175.7202 11 C 4.8516 8.5480 118.4193 56.5074 32.2984 173.8727 12 Q 3.9798 8.9003 119.7466 60.2949 28.2253 178.3586 13 N 4.7488 8.2600 111.2491 52.5819 37.9457 176.9776 14 M 3.4450 8.5375 117.2961 56.8567 30.2824 176.7906 15 G 3.8507 8.2919 107.5135 44.6046 0.0000 174.7543 16 I 4.5752 8.3851 113.7402 60.0743 39.2731 175.1311 17 G 3.8449 7.2463 108.6386 44.9397 0.0000 172.0243 18 K 4.9958 9.2258 119.0720 57.1868 35.2612 175.3513 19 D 4.3275 10.6100 129.3354 55.5971 38.6880 174.9776 20 G 3.8907 8.4238 104.4817 45.6791 0.0000 172.5885 21 N 4.8632 7.7484 117.7234 51.7051 42.0490 173.1507 22 L 3.9949 7.8187 116.8240 53.5263 42.3500 175.6854 23 P 4.0453 0.0000 0.0000 63.8166 31.5711 176.7048 24 W 4.2254 5.2218 113.7336 52.9424 30.4036 173.3237 25 P 4.4691 0.0000 0.0000 61.6235 31.5941 174.1548 26 P 4.3436 0.0000 0.0000 62.4078 31.9786 176.7357 27 L 4.6341 8.3474 122.6098 52.7275 43.5801 177.0467 28 R 3.9987 8.7222 124.4393 60.0097 29.9796 178.0135 29 N 4.5081 9.4406 116.2292 56.2102 38.2832 177.2148 30 E 4.0190 7.5396 118.4856 59.4582 30.0890 177.6050 31 Y 4.5768 8.0238 119.2154 61.2468 38.7548 178.3530 32 K 3.6554 8.3827 119.0105 59.6560 32.0768 178.6663 33 Y 4.0658 7.8614 119.9531 60.4606 38.5755 178.0547 34 F 3.8596 8.2337 121.5187 61.2434 39.5434 176.9891 35 Q 3.4306 7.7578 117.0715 58.8180 28.6345 178.8143 36 R 3.6285 7.7967 119.5341 59.8366 29.9135 178.4730 37 M 3.6056 7.3342 117.3988 58.1564 31.8007 178.5418 38 T 2.4800 6.6972 109.1029 64.0749 69.1286 176.9249 39 S 4.2539 7.5130 117.2670 60.0529 62.9399 174.8619 40 T 3.8690 7.1126 118.5702 63.4701 68.1798 173.7078 41 S 4.7623 8.3536 121.2779 57.1292 64.0739 173.3415 42 H 5.0351 9.3169 123.5970 54.8390 29.2407 175.3398 43 V 4.3714 7.3164 116.8612 61.4438 34.9283 172.3838 44 E 4.0505 8.8121 125.9022 57.4744 29.9919 176.8818 45 G 3.8946 8.8314 109.5158 46.0487 0.0000 172.9398 46 K 4.7393 7.5661 117.8001 54.5838 34.2283 175.6745 47 Q 4.7209 8.6665 119.9932 54.3810 33.2407 174.4711 48 N 4.9063 8.6734 117.7314 52.1983 41.4880 173.6513 49 A 5.2414 8.8637 122.7540 50.3617 22.0051 175.9176 50 V 5.0681 9.0318 115.3305 59.6100 35.0811 174.8230 51 I 5.1877 9.1029 125.4798 59.8487 40.2238 174.5515 52 M 5.1517 8.8235 122.5464 54.1256 35.2338 174.5383 53 G 4.1382 8.8986 108.3614 45.5470 0.0000 174.9370 54 K 4.1262 8.7293 119.6900 59.3497 31.9806 178.5563 55 K 4.1366 8.0741 118.3205 59.8251 32.5350 178.3803 56 T 4.0122 7.9351 115.5141 66.3727 68.3995 175.9342 57 W 4.1758 7.9707 129.7915 60.8183 30.4461 177.9238 58 F 4.3094 7.8803 115.1834 59.7252 38.4500 177.5484 59 S 4.2570 7.7343 113.4924 59.9426 63.1673 174.8665 60 I 3.7650 6.6520 123.4888 59.8521 37.6134 174.1116 61 P 4.1665 0.0000 0.0000 62.6541 32.0383 176.3650 62 E 3.7525 9.1208 124.3523 59.4678 29.3879 179.0881 63 K 4.1392 7.9536 114.7905 58.4006 32.2239 177.1851 64 N 4.8057 8.2573 115.9048 52.7412 38.6431 174.6685 65 R 4.4267 7.4281 117.5337 53.4316 32.4729 174.2738 66 P 4.4669 0.0000 0.0000 61.5228 32.3432 175.7198 67 L 3.8959 8.9806 119.3709 54.8847 41.6557 177.2254 68 K 3.7790 8.6161 124.6421 58.3564 32.3738 175.8289 69 D 4.5886 9.0524 122.8494 54.9471 38.1955 173.4470 70 R 4.8655 7.4710 115.2259 54.4999 34.8503 175.0421 71 I 4.1175 8.5850 122.4746 60.8593 38.3745 175.0582 72 N 5.1259 9.4431 125.9677 52.6205 40.0780 174.2582 73 I 4.9913 8.7932 125.3064 59.4614 40.2539 174.7631 74 V 4.7690 8.3220 127.1134 61.1830 33.6173 174.2301 75 L 5.1843 8.1267 127.4089 53.4393 43.7907 176.0871 76 S 4.5152 8.5844 113.6644 58.0844 66.0372 176.6985 77 R 4.3089 9.0792 125.5481 57.5628 30.6384 176.9966 78 E 4.4144 8.0037 116.1719 57.6314 30.8555 176.8595 79 L 4.1806 7.8007 117.3727 54.7797 42.3548 176.8904 80 K 4.1767 8.7729 124.8776 58.5515 32.8855 177.1660 81 E 4.7458 7.6637 111.2174 53.0721 33.5714 176.8452 82 A 3.9706 8.3518 121.8519 52.1412 19.0438 176.3075 83 P 4.3017 0.0000 0.0000 61.9166 32.0081 175.6148 84 K 3.9990 8.7003 122.3206 59.7790 32.0857 175.2817 85 G 4.3505 9.1798 115.4807 46.2245 0.0000 173.6741 86 A 3.7561 7.6994 121.4902 52.2606 18.8050 176.7167 87 H 4.4699 8.3722 116.7742 58.0088 30.0012 175.7564 88 Y 4.6766 7.5389 113.2799 56.4446 42.4705 173.6811 89 L 5.2322 8.5170 123.6716 53.5922 44.8613 175.6054 90 S 4.7688 8.8971 120.0673 57.1933 67.1827 175.0930 91 K 4.2480 9.0360 120.4699 57.3527 32.8909 176.9893 92 S 4.5746 7.3884 112.3806 56.0061 66.9369 174.8439 93 L 3.9263 8.3611 122.4497 58.2288 41.7599 178.0030 94 D 4.3534 8.1446 118.4223 57.7468 40.7716 178.4015 95 D 4.3422 8.3434 118.9786 57.4146 40.8793 178.8095 96 A 3.9373 7.8585 120.8239 55.1943 18.3754 179.5729 97 L 3.8567 8.3026 117.3818 57.8906 41.5226 179.3398 98 A 3.9063 7.7657 119.1233 55.2847 18.5905 178.7682 99 L 3.9575 8.3993 118.7784 58.5366 41.8184 179.1495 100 L 3.8503 7.5611 117.0037 58.1006 41.6997 179.2410 101 D 4.4466 7.8914 117.1753 55.7199 40.6513 177.2721 102 S 4.1984 7.3099 114.5552 57.7559 63.0992 172.7564 103 P 4.1442 0.0000 0.0000 67.3704 30.7795 179.0166 *104 E 4.0832 8.0873 117.1397 61.0715 29.9448 180.8503 105 L 4.5035 7.9854 120.5081 57.7834 42.0792 179.9606 *106 K 4.2141 8.8657 120.1589 57.5985 31.7190 179.5003 107 S 4.3823 7.4906 111.6308 59.6481 63.6243 174.8893 108 K 4.2146 8.1416 121.0568 56.3752 32.3585 175.5804 109 V 4.8955 7.4453 117.5896 61.7861 33.4958 172.5981 110 D 4.4063 9.5502 129.1877 54.6822 40.3606 175.8696 111 M 4.6294 8.3852 116.0119 53.7005 36.0041 175.3868 112 V 4.7404 7.9942 120.9828 61.1090 34.1202 174.2355 113 W 5.2929 9.4655 128.0079 55.0038 32.5206 174.5533 114 I 4.6730 9.3732 126.4557 60.3717 37.8074 176.3877 115 V 4.2860 8.9606 120.3708 61.1024 32.6909 176.7227 116 G 3.0052 7.7938 108.8175 44.4416 0.0000 172.5296 117 G 4.0391 8.0292 105.9618 44.5394 0.0000 173.5704 118 T 4.0249 8.7837 115.6626 67.3770 68.5746 175.6037 119 A 3.9795 7.9834 121.5505 55.0963 18.4135 179.6333 120 V 3.4708 7.6611 116.1395 66.3513 31.6229 177.3974 121 Y 4.3701 7.8418 116.5196 61.1765 37.8038 178.6551 122 K 3.7702 8.3629 120.2039 59.5230 32.0488 178.3253 123 A 3.9576 7.7777 119.0571 55.3477 18.5171 179.0555 124 A 4.1604 8.3245 119.2998 55.6076 18.2161 179.6419 125 M 4.2678 8.2057 116.5196 58.9275 32.1992 178.7465 126 E 4.1828 8.0816 116.8203 57.7437 29.9712 177.9601 127 K 4.0814 7.3420 119.3423 56.0384 32.9961 176.2263 128 P 4.6166 0.0000 0.0000 61.6147 30.1036 174.6396 129 I 4.7345 6.9900 119.8945 59.3153 42.3690 174.9607 130 N 4.6051 8.6102 123.3436 54.3772 39.7095 173.5120 131 H 5.9125 8.7375 120.8531 56.0279 34.2275 172.2941 132 R 5.1429 8.8990 123.4331 54.2922 33.8510 173.8131 133 L 5.2148 9.0124 125.9151 53.4404 44.7622 174.9389 134 F 5.0499 9.9365 126.4152 56.2201 40.6660 174.7913 135 V 4.8352 9.0978 125.0842 61.3398 34.1968 174.5126 136 T 4.8206 8.9209 124.9483 62.2127 70.2364 174.2929 137 R 4.6032 9.1200 128.0621 55.1657 30.9987 176.3612 138 I 4.3021 8.7969 127.4001 59.6255 38.0851 177.8634 139 L 4.2210 8.5121 131.7726 54.9113 40.5046 176.7688 140 H 4.8057 8.1936 113.7024 54.4134 34.1393 173.3238 141 E 4.7770 8.5758 119.6805 55.1565 29.2620 175.5547 142 F 4.9640 8.5639 122.5464 54.9024 41.6218 175.8510 143 E 4.2554 8.8470 122.6418 56.5247 29.9947 176.4514 144 S 4.7274 8.5533 117.4769 56.8220 66.9623 173.7404 145 D 5.2060 8.8843 121.0737 53.4761 41.0029 175.4788 146 T 4.9625 7.0049 115.6180 62.0460 72.7960 172.7332 147 F 5.3920 8.7559 122.1083 55.5041 43.3782 174.0724 148 F 4.5634 9.4415 124.4470 56.8721 39.7494 173.7950 149 P 4.2313 0.0000 0.0000 62.6540 31.4300 175.4790 150 E 4.0231 8.3176 118.8880 56.1064 29.9898 176.3160 151 I 3.9756 7.7919 123.7096 59.5111 39.4699 175.6562 152 D 4.5444 8.4305 126.5507 53.6250 40.5380 176.2623 153 Y 4.9975 8.2566 124.4880 60.3008 38.0844 177.7991 154 K 4.2971 9.6696 120.0684 58.3349 32.1480 177.8131 155 D 4.4164 8.1338 118.4263 56.4819 41.4949 176.0133 156 F 4.8738 8.7574 120.2108 56.5403 39.4198 175.4767 157 K 4.5907 8.9139 124.6537 54.7820 33.9781 176.1132 158 L 3.8866 8.3735 127.1009 54.6812 42.4388 176.4102 159 L 4.3442 8.8319 128.0556 54.8022 41.8686 177.6067 160 T 4.1039 8.5391 112.1778 63.6775 69.5712 174.3686 161 E 4.7662 7.7099 120.0228 55.1068 32.9303 173.1981 162 Y 4.5732 8.3949 122.3324 55.4187 41.7625 171.2078 163 P 4.1451 0.0000 0.0000 65.3560 30.8166 175.7483 164 G 3.8329 9.2166 111.1733 45.3456 0.0000 172.2587 165 V 4.2757 7.4829 118.8477 59.5652 32.5099 173.4953 166 P 4.3399 0.0000 0.0000 63.4605 31.2849 175.9454 167 A 4.5835 8.4060 121.1461 52.7782 20.5776 177.2001 168 D 4.6243 7.8196 114.7669 53.4797 41.7696 176.0511 169 I 3.7710 8.0637 122.0485 62.0122 37.6967 176.0211 170 Q 4.3736 8.8145 126.1969 54.5180 31.5915 173.9084 171 E 5.1127 7.7566 119.4071 55.3824 32.9480 173.8566 172 E 4.6462 9.5663 122.4917 56.9892 33.2445 175.2671 173 D 4.5025 10.0137 124.4778 55.4992 38.5778 174.8349 174 G 3.9534 8.5249 104.4537 45.5623 0.0000 173.8445 175 I 4.4079 7.9745 120.9661 59.4491 40.1247 174.8850 176 Q 5.1408 8.7354 123.8960 54.9504 32.0932 173.7551 177 Y 5.3365 7.8408 118.2664 56.0651 42.1566 173.4063 178 K 4.6719 8.8830 118.0820 55.1572 36.3745 175.0871 179 F 5.3869 8.5210 120.4985 56.5561 40.5853 175.1026 180 E 4.8043 9.4956 121.5805 54.6791 34.3800 174.6288 181 V 4.6229 8.0280 121.4635 61.4328 34.6756 173.6980 182 Y 5.2329 9.1047 125.4179 56.4837 41.4419 174.5663 183 Q 4.8897 9.6297 122.9753 54.3744 32.9495 173.4109 184 K 4.7096 9.1836 127.7081 53.7944 34.5340 174.6493 185 S 4.9234 8.5273 122.9489 56.6495 65.3046 174.3599 186 V 3.8912 8.9542 124.2881 62.9069 31.2827 175.0788 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 V 8.15 4.05 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 0.90 0.00 0.00 0.90 0.00 0.00 *2 R 8.48 3.94 0.00 1.91 1.84 0.00 3.30 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 3 S 8.30 4.93 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.97 4.68 0.00 1.24 1.43 0.88 0.62 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 5 N 8.38 5.60 0.00 1.44 1.42 0.00 0.00 7.18 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.61 5.63 0.00 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.15 5.65 2.26 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 1.59 1.33 1.22 0.00 0.00 8 V 9.22 4.89 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 0.05 0.00 0.00 0.89 0.00 0.00 9 A 8.75 5.22 1.43 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 0.00 0.00 10 V 8.81 4.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.89 0.00 0.00 11 C 8.55 4.85 0.00 3.68 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 12 Q 8.90 3.98 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 7.15 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 13 N 8.26 4.75 0.00 2.74 2.70 0.00 0.00 6.77 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 14 M 8.54 3.45 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 15 G 8.29 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 16 I 8.39 4.58 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 1.16 0.00 0.00 17 G 7.25 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 9.23 5.00 0.00 1.70 1.44 0.00 1.96 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.28 7.81 19 D 10.61 4.33 0.00 2.69 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 20 G 8.42 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 21 N 7.75 4.86 0.00 2.62 2.48 0.00 0.00 7.18 6.75 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 22 L 7.82 3.99 0.00 0.99 0.26 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.05 0.00 1.80 2.11 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 24 W 5.22 4.23 0.00 2.87 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 0.00 0.00 0.00 0.00 25 P 0.00 4.47 0.00 2.23 2.13 0.00 3.87 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 2.09 2.08 0.00 26 P 0.00 4.34 0.00 2.03 1.95 0.00 3.63 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 1.98 2.03 0.00 27 L 8.35 4.63 0.00 1.59 1.52 0.38 0.84 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 28 R 8.72 4.00 0.00 1.94 2.12 0.00 3.24 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 29 N 9.44 4.51 0.00 3.30 3.04 0.00 0.00 6.78 7.59 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 30 E 7.54 4.02 0.00 1.77 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 1.83 2.05 0.00 31 Y 8.02 4.58 0.00 3.12 3.31 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 32 K 8.38 3.66 0.00 1.87 1.79 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.71 7.81 33 Y 7.86 4.07 0.00 3.18 3.38 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 34 F 8.23 3.86 0.00 3.23 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 35 Q 7.76 3.43 0.00 1.72 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.18 1.43 0.00 36 R 7.80 3.63 0.00 1.70 2.02 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 37 M 7.33 3.61 0.00 0.98 1.12 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.85 0.00 38 T 6.70 2.48 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 0.03 0.00 0.00 39 S 7.51 4.25 0.00 3.72 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 40 T 7.11 3.87 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 1.15 0.00 0.00 41 S 8.35 4.76 0.00 3.79 3.70 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 42 H 9.32 5.04 0.00 3.16 3.29 0.00 5.77 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.32 4.37 2.10 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 0.89 0.00 0.00 0.95 0.00 0.00 44 E 8.81 4.05 0.00 2.11 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 2.28 2.31 0.00 45 G 8.83 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 46 K 7.57 4.74 0.00 1.71 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.39 7.81 47 Q 8.67 4.72 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 48 N 8.67 4.91 0.00 2.71 2.89 0.00 0.00 6.59 7.10 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 49 A 8.86 5.24 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 50 V 9.03 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0.00 0.00 0.00 2.07 2.02 0.00 67 L 8.98 3.90 0.00 1.79 1.72 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.62 3.78 0.00 1.72 1.73 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.50 7.81 69 D 9.05 4.59 0.00 2.83 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 70 R 7.47 4.87 0.00 1.70 1.85 0.00 3.03 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 71 I 8.59 4.12 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 1.04 0.00 0.00 72 N 9.44 5.13 0.00 2.76 2.94 0.00 0.00 6.88 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.79 4.99 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.92 0.00 0.00 74 V 8.32 4.77 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 0.79 0.00 0.00 0.09 0.00 0.00 75 L 8.13 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.03 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 0.00 118 T 8.78 4.02 4.30 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 1.29 0.00 0.00 119 A 7.98 3.98 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 0.00 120 V 7.66 3.47 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 1.08 0.00 0.00 0.96 0.00 0.00 121 Y 7.84 4.37 0.00 3.14 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 0.00 122 K 8.36 3.77 0.00 1.76 1.96 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 123 A 7.78 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.32 4.16 1.52 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 0.00 0.00 125 M 8.21 4.27 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.59 0.00 126 E 8.08 4.18 0.00 2.13 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 2.37 2.60 0.00 127 K 7.34 4.08 0.00 1.86 1.78 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.56 7.81 128 P 0.00 4.62 0.00 2.17 2.09 0.00 3.72 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 1.97 1.95 0.00 129 I 6.99 4.73 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 0.92 0.00 0.00 130 N 8.61 4.61 0.00 2.93 2.73 0.00 0.00 6.29 8.16 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 0.00 131 H 8.74 5.91 0.00 3.44 3.10 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.90 5.14 0.00 1.97 1.64 0.00 2.81 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 133 L 9.01 5.21 0.00 1.75 1.60 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 134 F 9.94 5.05 0.00 3.47 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 0.00 135 V 9.10 4.84 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.75 0.00 0.00 136 T 8.92 4.82 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 0.75 0.00 0.00 137 R 9.12 4.60 0.00 1.70 1.88 0.00 3.16 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 138 I 8.80 4.30 1.57 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 0.69 0.33 0.79 0.00 0.00 139 L 8.51 4.22 0.00 1.44 1.59 0.86 0.89 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 0.00 140 H 8.19 4.81 0.00 2.79 2.86 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.58 4.78 0.00 2.17 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 2.23 1.87 0.00 142 F 8.56 4.96 0.00 3.15 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 0.00 143 E 8.85 4.26 0.00 2.14 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 2.34 2.36 0.00 144 S 8.55 4.73 0.00 3.50 3.43 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 0.00 145 D 8.88 5.21 0.00 2.75 2.86 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 0.00 146 T 7.00 4.96 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 147 F 8.76 5.39 0.00 2.89 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 0.00 148 F 9.44 4.56 0.00 2.95 2.99 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 0.00 149 P 0.00 4.23 0.00 1.81 1.84 0.00 2.40 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.88 0.00 150 E 8.32 4.02 0.00 1.88 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 2.23 2.22 0.00 151 I 7.79 3.98 1.63 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.84 0.00 0.00 152 D 8.43 4.54 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 0.00 153 Y 8.26 5.00 0.00 3.06 2.99 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 0.00 154 K 9.67 4.30 0.00 1.82 1.91 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.41 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.56 7.81 155 D 8.13 4.42 0.00 2.92 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.76 4.87 0.00 2.99 3.24 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 0.00 157 K 8.91 4.59 0.00 1.70 1.73 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 158 L 8.37 3.89 0.00 1.26 1.37 0.19 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.83 4.34 0.00 1.53 1.75 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.54 4.10 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 1.18 0.00 0.00 161 E 7.71 4.77 0.00 1.91 1.82 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 2.24 2.33 0.00 162 Y 8.39 4.57 0.00 3.04 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 0.00 163 P 0.00 4.15 0.00 2.03 1.96 0.00 3.08 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.57 0.00 164 G 9.22 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.48 4.28 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.31 0.00 0.00 166 P 0.00 4.34 0.00 2.36 2.16 0.00 3.70 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 2.34 2.13 0.00 167 A 8.41 4.58 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 0.00 168 D 7.82 4.62 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 8.06 3.77 1.77 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 1.26 0.40 0.81 0.00 0.00 170 Q 8.81 4.37 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 171 E 7.76 5.11 0.00 1.82 1.68 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 2.17 2.39 0.00 172 E 9.57 4.65 0.00 2.08 1.89 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 2.22 2.27 0.00 173 D 10.01 4.50 0.00 2.85 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 0.00 174 G 8.52 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 0.00 0.00 0.00 175 I 7.97 4.41 2.06 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.10 0.91 0.00 0.00 176 Q 8.74 5.14 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 177 Y 7.84 5.34 0.00 2.93 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 0.00 178 K 8.88 4.67 0.00 1.72 1.76 0.00 1.36 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.35 7.81 179 F 8.52 5.39 0.00 3.02 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 0.00 180 E 9.50 4.80 0.00 2.01 1.59 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 2.19 2.28 0.00 181 V 8.03 4.62 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 -0.10 0.00 0.00 0.70 0.00 0.00 182 Y 9.10 5.23 0.00 3.04 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 9.63 4.89 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 184 K 9.18 4.71 0.00 0.79 1.05 0.00 1.22 0.00 0.00 1.02 0.00 0.00 3.05 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 0.90 7.81 185 S 8.53 4.92 0.00 3.71 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 0.00 186 V 8.95 3.89 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 0.74 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.