NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3807 8.3027 118.9383 55.6510 32.4796 174.2131 8 R 4.7961 7.8479 121.9833 54.2786 32.4411 173.1228 9 L 5.1444 9.9298 126.6730 52.8863 46.3281 174.9352 10 D 5.0005 8.5131 120.7703 54.0528 42.6872 175.3057 11 L 4.8717 9.1356 123.0486 53.7087 43.5610 176.1612 12 V 4.9877 8.6281 116.0518 59.7254 35.6873 175.5490 13 N 4.8788 8.5349 120.6587 51.4942 39.5542 175.4470 14 E 4.2604 8.7377 116.4754 59.5962 29.4598 178.1494 15 R 4.3353 8.4274 116.0946 55.3585 30.3524 175.4624 16 D 3.6159 7.5313 116.4947 55.2195 39.9576 173.0686 17 E 4.5828 7.8773 116.0773 53.8366 31.7010 175.9752 18 V 4.1174 8.2488 123.3188 63.2760 31.9945 175.8660 19 V 4.3997 10.0017 119.0275 59.7067 33.1888 176.1889 20 G 3.9223 6.8097 107.4995 45.8323 0.0000 171.0818 21 Q 5.0828 7.8309 116.9120 54.6468 33.2155 174.5203 22 I 4.5264 8.6158 119.5627 59.7413 42.1042 173.7013 23 L 4.4886 8.4271 127.8169 54.3545 42.2221 178.0398 24 R 3.7076 9.2788 124.6861 59.3665 30.0812 177.2365 25 T 4.3468 7.6388 104.7360 61.0997 69.4168 173.9503 26 D 4.3936 8.0438 124.3715 53.6058 41.5045 175.3540 27 P 4.1610 0.0000 0.0000 65.2611 31.3219 176.7400 28 A 4.2759 8.5203 120.6609 51.8930 18.9051 177.2008 29 L 3.8054 7.5832 119.0684 55.1801 42.6926 176.5453 30 R 4.4932 8.0505 123.4612 53.8988 33.0683 176.4978 31 W 4.3074 8.6983 123.6151 59.5380 29.2710 177.6586 32 E 4.2837 8.1666 113.4706 57.1269 29.4006 177.2461 33 R 4.7559 8.2454 118.6414 56.1583 30.8404 175.1948 34 V 5.0948 7.9141 111.2092 59.8545 36.6666 174.2080 35 R 5.4353 8.5883 119.3877 54.9535 33.1735 175.9179 36 V 5.1362 9.1660 115.0552 59.8984 36.8114 174.6532 37 V 5.1035 8.9568 114.4342 60.0335 35.5007 174.9105 38 N 5.5537 8.8221 118.8835 51.9449 43.4795 173.3814 39 A 5.0646 8.8730 122.5591 50.6448 23.5652 174.9516 40 F 5.2770 9.0817 117.9165 54.6512 42.7696 174.2076 41 L 5.2062 8.8759 125.1582 53.8890 43.5736 174.7235 42 R 5.5253 9.4987 127.8489 54.8128 33.3288 175.1930 43 N 5.4542 9.1794 124.0103 50.8323 39.9938 175.5246 44 S 4.3678 9.1667 112.7146 60.0542 63.1962 174.6867 45 Q 4.1822 8.0654 119.1295 55.6730 28.9530 176.1727 46 G 3.8770 8.0178 105.7433 45.9021 0.0000 173.3659 47 Q 4.8325 8.4422 118.3622 54.1749 31.5005 174.5232 48 L 5.4141 8.9364 121.9489 52.8518 44.6010 175.6937 49 W 4.0360 8.8064 134.0934 56.7246 31.1310 175.5825 50 I 4.1918 7.9231 130.2849 58.8368 38.4446 174.2590 51 P 3.9960 0.0000 0.0000 61.7876 33.9871 174.8501 52 R 4.5890 8.1341 120.1978 54.6988 31.8133 175.0744 53 R 4.3916 9.2933 127.4297 53.8503 32.9605 173.9305 *61 P 4.0415 0.0000 0.0000 62.6727 31.1023 175.7162 62 N 4.8467 8.4127 118.6144 52.8491 40.5880 173.9815 63 A 4.8732 7.4009 120.8119 49.8775 21.6815 176.8721 64 L 4.3409 8.5786 121.8418 55.3386 43.0580 175.8553 65 D 4.7890 8.0457 120.6302 53.1046 44.9005 174.9388 66 V 3.8396 8.1188 113.3780 60.9715 32.0774 176.8252 67 S 4.4888 8.6148 117.6360 61.5217 63.8182 174.9096 68 V 4.7352 7.8700 118.6816 61.2923 34.7288 174.3371 69 G 4.3317 8.5095 112.7433 45.2409 0.0000 172.5315 70 G 4.6295 8.5316 109.1559 45.4478 0.0000 172.3205 71 A 4.8233 8.6989 122.1659 51.7002 19.3802 177.3642 72 V 3.9741 8.5082 121.7334 62.3898 32.3558 176.1483 73 Q 4.4302 9.3750 127.3743 55.1182 30.2347 175.6570 74 S 4.4028 7.9750 116.5415 59.5921 62.6167 175.1517 75 G 3.9350 9.5779 116.3562 45.2421 0.0000 172.8412 76 E 4.5032 7.9204 120.5509 55.2907 30.9726 176.0283 77 T 4.3529 8.4185 119.0756 60.9296 70.0910 175.5564 78 Y 4.1783 8.4413 120.9378 61.2610 37.8320 178.6012 79 E 3.9783 8.5129 119.6365 59.4347 29.8420 178.5420 80 E 3.9256 8.2646 117.9270 59.3219 29.4989 179.0420 81 A 4.2438 8.1482 120.9619 54.9006 18.3396 179.4516 82 F 4.2494 8.3219 119.2174 61.6041 39.4103 177.2582 83 R 3.2613 7.9014 118.5845 59.1397 29.7556 178.4646 84 R 3.7769 7.9230 118.3121 59.5790 30.3053 178.4366 85 E 4.1385 8.5146 118.5589 59.2785 29.4222 179.1802 86 A 3.9803 8.1218 121.3577 55.0723 18.5119 179.8640 87 R 4.0596 7.7379 114.5453 59.1201 29.5189 178.7323 88 E 4.0621 8.1386 117.3950 58.3738 30.0046 177.9967 89 E 4.4556 8.4868 119.1079 57.0627 30.2724 177.2084 90 L 4.6689 7.7037 115.0355 53.5222 42.9925 175.7891 91 N 4.6698 8.0086 114.0567 53.4408 36.0950 173.9742 92 V 4.2116 7.6585 115.4308 60.9842 34.1029 174.4903 93 E 4.3476 8.3757 126.5123 54.4472 29.5254 176.6238 94 I 3.6348 7.9328 119.1813 63.7886 37.4993 178.1154 95 D 4.5711 8.0126 119.0760 56.3905 40.7812 176.6137 96 A 4.4074 8.1205 120.7650 52.3312 19.1517 176.1324 97 L 4.9317 7.6243 114.7254 52.5887 45.9614 175.3828 98 S 4.8236 8.5019 114.3033 57.4606 63.5738 172.7927 99 W 6.3000 8.4383 122.6318 56.0157 31.3818 173.4803 100 R 4.5460 8.7504 114.2839 54.6373 31.8929 172.1614 101 P 4.6105 0.0000 0.0000 63.1529 31.2839 175.9745 102 L 4.2986 9.0284 127.6796 57.0938 43.0749 175.9237 103 A 4.1746 6.9249 117.3523 51.4000 22.4548 175.0068 104 S 4.6932 7.7796 114.0656 56.7800 66.5445 174.0616 105 F 5.1247 8.9829 121.2188 55.8620 43.5100 173.4971 106 S 4.5954 8.5604 115.3850 55.8538 64.3450 173.4164 107 P 4.2895 0.0000 0.0000 64.1540 31.1999 177.2193 108 F 4.5364 7.5568 115.1540 57.8310 39.4526 176.3153 109 Q 4.5657 7.6738 118.3378 55.8796 29.3852 174.7371 110 T 4.5413 7.2670 106.8280 61.1511 71.4529 173.6177 111 T 4.4244 8.3912 111.2671 61.5907 68.9613 174.6374 112 L 4.4672 7.6966 121.7938 54.0048 42.5531 178.4163 113 S 4.0435 9.2732 117.1767 61.1407 63.0783 173.9574 114 S 4.8682 7.3956 113.8432 56.3200 67.4452 173.8008 115 F 4.5681 8.9922 119.6270 58.3522 39.8120 174.9493 116 M 5.7064 8.8369 117.7814 55.6568 35.2053 172.7261 117 C 4.6911 8.4615 119.7728 57.3873 34.7128 172.3443 118 V 4.6869 8.5580 125.9823 61.3266 33.6746 174.0414 119 Y 5.2832 8.6301 124.4935 56.1141 42.0659 174.0051 120 E 5.3832 9.3259 121.3981 54.6057 32.7872 174.0577 121 L 5.3832 9.6472 129.4105 53.6654 44.6228 174.9166 122 R 5.2729 8.8024 125.5653 54.9313 31.7560 175.6442 123 S 4.6542 8.6463 115.3430 58.1437 66.2032 175.8571 124 D 4.4029 9.0649 124.4594 54.1904 41.5913 176.5096 125 A 4.4433 7.6636 122.9302 51.3831 19.5692 177.2387 126 T 4.2908 8.4497 118.9064 62.3171 69.3092 173.3679 127 P 4.2058 0.0000 0.0000 62.7743 31.9948 177.2145 128 I 3.9765 7.7225 123.8697 59.5157 35.6003 175.6549 129 F 4.4468 7.5887 118.2588 56.2884 38.9342 175.5694 130 N 4.6182 9.0883 121.0569 52.1149 38.4167 174.2387 131 P 5.3924 0.0000 0.0000 64.3260 31.6738 177.4072 132 N 4.4980 8.4905 116.8019 55.5015 38.9603 174.7691 133 D 4.8824 8.1530 114.2705 53.3052 43.6211 175.1157 134 I 4.6470 7.7158 120.2507 59.6327 39.4128 176.4557 135 S 4.3312 8.5248 120.1562 58.9682 63.7168 174.0553 136 G 3.8294 6.9342 108.0988 46.6361 0.0000 171.1823 137 G 3.5970 8.0823 106.0730 44.9529 0.0000 172.0746 138 E 4.8205 7.6025 116.6985 54.3610 33.4112 174.3799 139 W 4.9415 8.8509 121.8504 56.5880 30.0378 175.7547 140 L 5.0727 9.0742 124.4251 52.9456 45.9040 176.5162 141 T 4.3468 8.4422 111.8315 60.5922 69.9876 173.8530 142 P 4.1039 0.0000 0.0000 65.6162 31.2330 178.6307 143 E 3.8769 7.9942 117.6269 59.7378 29.6632 178.5265 144 H 4.2975 8.0439 116.1154 58.5829 28.7302 177.5874 145 L 3.8884 8.0318 122.1417 58.2934 41.9157 179.0605 146 L 3.9696 8.1908 118.9218 57.6227 41.5050 179.3819 147 A 3.9741 8.0611 120.7303 55.2560 18.3596 179.8610 148 R 3.8555 7.9741 116.4994 59.4352 30.1280 179.3737 149 I 3.6348 7.7239 119.2560 64.4059 36.9102 178.3009 150 A 3.9853 8.0989 120.3695 55.1850 18.2296 179.2923 151 A 4.1102 7.7837 118.3616 53.5514 18.5369 178.1837 152 G 3.9950 7.6516 103.2363 45.0657 0.0000 174.1575 153 E 4.1611 7.9219 119.6603 55.8851 30.3227 176.9769 154 A 4.1449 8.5572 124.7697 52.6760 19.4019 176.2449 155 A 5.0543 8.2825 121.9682 50.2524 22.5271 176.2033 156 K 3.8023 9.0106 120.6642 56.5610 32.6895 178.6377 157 G 3.7009 8.8722 112.6328 48.2881 0.0000 173.7607 158 D 4.7118 7.7566 116.9235 53.8948 42.0848 177.6912 159 L 4.0027 8.0487 122.3187 58.1943 42.0426 178.5482 160 A 3.9798 7.9613 120.0141 55.3584 18.3004 179.0238 161 E 3.8168 8.0867 117.1356 59.3777 29.6477 178.8312 162 L 3.9830 8.1095 119.1230 57.7041 41.6162 179.6916 163 V 3.5953 8.0221 118.1972 66.0852 31.2744 178.3891 164 R 3.9288 7.9029 116.6368 59.4272 30.0027 179.0399 165 R 4.0926 8.1884 117.1705 59.0455 30.1138 178.2607 166 C 4.5190 8.2662 115.6061 60.2468 29.0192 173.1217 167 Y 4.3926 7.7197 117.5336 56.2544 38.3204 175.5007 168 R 4.1170 8.5115 123.2993 56.6322 31.1909 175.8386 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 7 E 8.30 4.38 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 8 R 7.85 4.80 0.00 1.97 1.79 0.00 3.10 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 9 L 9.93 5.14 0.00 1.52 1.50 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.51 5.00 0.00 2.59 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 11 L 9.14 4.87 0.00 1.59 1.57 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.63 4.99 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 0.64 0.00 0.00 0.93 0.00 0.00 13 N 8.53 4.88 0.00 2.92 2.97 0.00 0.00 7.21 8.20 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 14 E 8.74 4.26 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 15 R 8.43 4.34 0.00 1.89 1.94 0.00 3.47 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 16 D 7.53 3.62 0.00 2.31 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 17 E 7.88 4.58 0.00 2.14 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 2.28 2.37 0.00 18 V 8.25 4.12 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 0.83 0.00 0.00 0.89 0.00 0.00 19 V 10.00 4.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 20 G 6.81 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 21 Q 7.83 5.08 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.60 0.00 22 I 8.62 4.53 1.82 0.00 0.00 0.77 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 1.13 0.88 0.00 0.00 23 L 8.43 4.49 0.00 1.61 1.54 0.90 0.78 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 24 R 9.28 3.71 0.00 1.74 2.06 0.00 3.32 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 25 T 7.64 4.35 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 1.22 0.00 0.00 26 D 8.04 4.39 0.00 2.72 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 27 P 0.00 4.16 0.00 2.20 2.16 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 28 A 8.52 4.28 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 29 L 7.58 3.81 0.00 1.43 1.39 0.50 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.05 4.49 0.00 1.81 1.93 0.00 3.52 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 31 W 8.70 4.31 0.00 3.41 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 32 E 8.17 4.28 0.00 1.50 1.83 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 2.36 2.29 0.00 33 R 8.25 4.76 0.00 2.08 2.03 0.00 3.10 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 34 V 7.91 5.09 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 0.82 0.00 0.00 1.20 0.00 0.00 35 R 8.59 5.44 0.00 1.67 1.88 0.00 3.12 0.00 0.00 3.62 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 36 V 9.17 5.14 2.21 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 1.03 0.00 0.00 1.00 0.00 0.00 37 V 8.96 5.10 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 1.25 0.00 0.00 1.16 0.00 0.00 38 N 8.82 5.55 0.00 2.54 2.41 0.00 0.00 6.73 6.70 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 39 A 8.87 5.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.08 5.28 0.00 3.26 3.05 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 0.00 0.00 0.00 41 L 8.88 5.21 0.00 1.94 1.71 1.17 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.50 5.53 0.00 2.05 1.93 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 43 N 9.18 5.45 0.00 2.79 2.09 0.00 0.00 6.62 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 44 S 9.17 4.37 0.00 3.93 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 45 Q 8.07 4.18 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.32 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 46 G 8.02 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 47 Q 8.44 4.83 0.00 2.34 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 48 L 8.94 5.41 0.00 1.51 1.64 0.18 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.81 4.04 0.00 1.78 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 50 I 7.92 4.19 1.60 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 0.82 0.00 0.00 51 P 0.00 4.00 0.00 1.81 1.62 0.00 3.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 52 R 8.13 4.59 0.00 1.68 1.66 0.00 2.92 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.00 53 R 9.29 4.39 0.00 1.51 1.76 0.00 3.28 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.43 0.00 *61 P 0.00 4.04 0.00 2.37 2.26 0.00 3.70 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 1.87 2.00 0.00 62 N 8.41 4.85 0.00 2.62 2.78 0.00 0.00 7.03 7.35 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 63 A 7.40 4.87 1.19 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 0.00 0.00 64 L 8.58 4.34 0.00 1.52 1.51 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.05 4.79 0.00 2.48 2.41 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 66 V 8.12 3.84 1.76 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 0.44 0.00 0.00 0.88 0.00 0.00 67 S 8.61 4.49 0.00 4.04 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 0.00 68 V 7.87 4.74 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 1.22 0.00 0.00 1.05 0.00 0.00 69 G 8.51 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 0.00 0.00 0.00 0.00 70 G 8.53 4.63 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 0.00 0.00 0.00 71 A 8.70 4.82 1.44 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 0.00 0.00 72 V 8.51 3.97 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 0.89 0.00 0.00 73 Q 9.38 4.43 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 74 S 7.98 4.40 0.00 3.74 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 75 G 9.58 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 0.00 0.00 0.00 76 E 7.92 4.50 0.00 1.91 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 2.26 2.34 0.00 77 T 8.42 4.35 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 78 Y 8.44 4.18 0.00 3.21 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 79 E 8.51 3.98 0.00 2.29 2.09 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 2.39 2.49 0.00 80 E 8.26 3.93 0.00 2.21 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 2.41 2.41 0.00 81 A 8.15 4.24 1.47 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 82 F 8.32 4.25 0.00 2.81 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 83 R 7.90 3.26 0.00 1.58 1.87 0.00 3.06 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 84 R 7.92 3.78 0.00 1.95 2.10 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 85 E 8.51 4.14 0.00 2.06 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 2.51 2.53 0.00 86 A 8.12 3.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.74 4.06 0.00 1.97 2.21 0.00 2.81 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 88 E 8.14 4.06 0.00 2.16 2.11 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 2.59 2.35 0.00 89 E 8.49 4.46 0.00 2.12 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 0.00 2.29 2.48 0.00 90 L 7.70 4.67 0.00 1.73 1.57 0.98 1.28 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 91 N 8.01 4.67 0.00 2.93 2.83 0.00 0.00 7.03 7.68 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 92 V 7.66 4.21 1.99 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 0.77 0.00 0.00 0.91 0.00 0.00 93 E 8.38 4.35 0.00 1.99 1.84 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 2.28 2.19 0.00 94 I 7.93 3.63 0.84 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.38 -0.30 0.00 0.00 95 D 8.01 4.57 0.00 2.71 2.83 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 96 A 8.12 4.41 1.29 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 0.00 0.00 0.00 97 L 7.62 4.93 0.00 1.75 1.68 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.50 4.82 0.00 3.95 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 99 W 8.44 6.30 0.00 3.78 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.75 4.55 0.00 1.84 1.97 0.00 2.97 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 101 P 0.00 4.61 0.00 1.96 1.97 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.57 0.00 102 L 9.03 4.30 0.00 1.60 1.71 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 103 A 6.92 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.78 4.69 0.00 3.45 3.50 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 0.00 0.00 0.00 0.00 105 F 8.98 5.12 0.00 2.89 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 0.00 106 S 8.56 4.60 0.00 4.10 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 0.00 107 P 0.00 4.29 0.00 1.05 1.80 0.00 2.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.66 0.00 108 F 7.56 4.54 0.00 3.07 3.11 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 0.00 109 Q 7.67 4.57 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 110 T 7.27 4.54 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 1.12 0.00 0.00 111 T 8.39 4.42 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 1.16 0.00 0.00 112 L 7.70 4.47 0.00 1.60 1.49 0.37 0.84 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 0.00 113 S 9.27 4.04 0.00 3.87 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 0.00 114 S 7.40 4.87 0.00 3.83 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.99 4.57 0.00 3.36 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 0.00 116 M 8.84 5.71 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 117 C 8.46 4.69 0.00 2.03 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 0.00 118 V 8.56 4.69 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 1.01 0.00 0.00 1.06 0.00 0.00 119 Y 8.63 5.28 0.00 2.17 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.33 5.38 0.00 2.22 1.96 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 2.44 2.54 0.00 121 L 9.65 5.38 0.00 2.06 1.73 1.11 0.83 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 0.00 122 R 8.80 5.27 0.00 1.79 1.94 0.00 3.60 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 123 S 8.65 4.65 0.00 3.91 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 0.00 124 D 9.06 4.40 0.00 2.64 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 0.00 125 A 7.66 4.44 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.45 4.29 4.37 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 1.30 0.00 0.00 127 P 0.00 4.21 0.00 1.26 1.65 0.00 2.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.71 0.00 128 I 7.72 3.98 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.76 0.00 0.00 129 F 7.59 4.45 0.00 3.24 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 0.00 130 N 9.09 4.62 0.00 2.86 2.94 0.00 0.00 7.56 8.06 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 0.00 131 P 0.00 5.39 0.00 2.12 2.20 0.00 3.79 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 132 N 8.49 4.50 0.00 2.76 2.92 0.00 0.00 6.86 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 0.00 133 D 8.15 4.88 0.00 2.64 2.65 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 0.00 134 I 7.72 4.65 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.12 0.38 0.00 0.00 135 S 8.52 4.33 0.00 4.02 3.98 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 0.00 136 G 6.93 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 0.00 137 G 8.08 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 E 7.60 4.82 0.00 2.01 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 0.00 1.93 2.17 0.00 139 W 8.85 4.94 0.00 3.29 3.37 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 0.00 140 L 9.07 5.07 0.00 1.51 1.49 0.84 0.43 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 0.00 141 T 8.44 4.35 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 142 P 0.00 4.10 0.00 2.06 1.96 0.00 3.47 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 143 E 7.99 3.88 0.00 1.98 1.85 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 2.38 2.39 0.00 144 H 8.04 4.30 0.00 3.37 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.03 3.89 0.00 1.72 1.77 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.19 3.97 0.00 1.74 1.69 0.90 1.19 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 0.00 147 A 8.06 3.97 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 0.00 148 R 7.97 3.86 0.00 2.02 1.95 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 149 I 7.72 3.63 1.96 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 1.71 0.89 0.88 0.00 0.00 150 A 8.10 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.78 4.11 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 0.00 152 G 7.65 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 0.00 153 E 7.92 4.16 0.00 1.96 1.86 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 2.32 2.36 0.00 154 A 8.56 4.14 1.21 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 0.00 155 A 8.28 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 9.01 3.80 0.00 1.63 1.66 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.88 7.81 157 G 8.87 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 0.00 0.00 0.00 158 D 7.76 4.71 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.05 4.00 0.00 1.77 1.75 1.13 1.02 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 0.00 160 A 7.96 3.98 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 0.00 161 E 8.09 3.82 0.00 1.96 1.85 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 2.12 2.24 0.00 162 L 8.11 3.98 0.00 2.16 2.07 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.02 3.60 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 1.04 0.00 0.00 0.88 0.00 0.00 164 R 7.90 3.93 0.00 1.80 1.96 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 165 R 8.19 4.09 0.00 1.66 2.02 0.00 2.48 0.00 0.00 2.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 166 C 8.27 4.52 0.00 2.89 2.50 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 0.00 0.00 0.00 0.00 167 Y 7.72 4.39 0.00 2.95 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 0.00 168 R 8.51 4.12 0.00 1.93 1.89 0.00 3.33 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.