NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 N 4.6030 8.4244 118.2166 53.7816 39.1933 173.9005 35 S 2.8415 8.2986 111.8263 59.0778 61.6848 170.7876 36 F 4.9178 8.7760 119.8289 57.0034 40.8751 173.8209 37 L 4.8303 8.3449 120.8861 53.2673 44.0669 176.6201 38 Q 4.5007 8.6346 121.5575 54.9587 31.3143 174.6891 39 D 4.3333 8.3744 117.2465 55.2938 38.2872 174.6157 40 V 3.6485 7.1336 116.5348 59.2297 31.9269 174.8655 41 P 4.2584 0.0000 0.0000 62.1106 31.8070 176.8161 42 Y 3.9987 8.5021 122.3435 60.2498 39.2260 177.7257 43 W 4.5051 7.1698 117.8559 55.7755 27.0108 176.3551 *45 L 3.7589 7.6082 117.4947 55.1627 42.4569 178.3804 46 Q 3.8209 8.5579 123.9381 58.0245 29.1141 175.6673 47 N 4.1590 7.4084 116.0275 54.2308 38.6906 173.8066 48 R 4.1537 8.5296 127.0178 55.9681 29.0172 177.0112 49 S 3.5902 8.4337 117.7668 59.6969 63.6849 174.7963 50 E 3.6969 7.1897 114.7731 57.5166 28.1976 174.5918 51 Y 4.8779 7.1619 117.1147 56.6913 39.9138 176.7597 52 I 3.6671 8.5671 126.2004 64.6970 37.4110 177.6091 53 T 4.0542 7.8098 107.3505 62.3936 68.9906 173.1974 54 Q 5.1420 8.6750 122.6575 54.3944 31.1171 175.3476 55 G 4.3367 8.9417 109.3455 44.5480 0.0000 171.4396 56 V 5.4863 8.2309 121.4556 60.1593 34.7913 173.7872 57 D 4.8462 8.5725 125.2157 53.9939 44.9934 172.9427 58 S 5.3358 8.1611 114.2184 56.4851 66.5956 172.8961 59 S 4.6235 8.0197 112.4958 57.2761 65.6802 172.1494 60 H 5.0997 8.6684 122.7308 54.3876 30.1125 175.1980 61 I 3.9271 8.1694 123.5573 61.6030 37.5676 175.8995 62 V 4.4943 8.1514 124.0712 60.5884 34.8484 174.3681 63 D 4.4145 8.5400 124.2677 56.1274 41.0701 177.3808 64 G 3.9936 9.2643 109.9178 45.4308 0.0000 173.4056 65 K 4.5566 7.6065 118.2157 54.1297 36.0027 176.3201 66 K 4.2361 8.5002 124.6138 55.9128 33.2405 177.4918 67 T 3.8831 8.5983 115.0869 65.2146 68.2123 176.0684 68 E 4.2062 8.1580 121.3975 58.9361 29.7290 178.3373 69 E 3.9470 8.2400 119.5612 59.3030 29.6731 178.8142 70 I 3.7440 7.6516 119.3932 64.2627 37.1486 178.0046 71 E 3.9726 8.5615 119.9650 59.4360 29.2389 179.5303 72 K 4.0123 7.8535 118.3989 59.4801 32.1267 179.3980 73 I 3.6729 7.7356 119.6077 64.4521 37.0547 178.3602 74 A 4.0233 8.2552 121.7019 55.3970 18.1509 179.8728 75 T 3.8516 8.3373 114.7514 66.7055 68.5561 176.8974 76 K 4.1006 8.3773 121.7898 59.6173 32.2300 179.1373 77 R 3.9560 8.2532 118.2458 58.9743 29.8201 178.8264 78 A 4.1033 8.1766 120.8526 55.3938 18.3171 179.8699 79 T 4.0067 7.9989 114.4520 66.8238 68.5252 177.1538 80 I 3.7934 7.9769 121.8858 64.3431 36.9794 178.4358 81 R 3.9418 8.1835 119.6808 59.2019 29.8623 178.7740 82 V 3.5773 7.6142 118.1031 66.0033 31.5566 177.8300 83 A 4.0993 8.1444 120.5038 55.4648 18.2385 179.6749 84 Q 4.0293 8.5332 116.9111 59.0844 28.5931 178.7062 85 N 4.3932 8.5483 118.1558 56.2289 38.5387 177.5433 86 I 3.6492 7.9264 121.2940 64.3096 37.3269 178.5311 87 V 3.6309 7.9792 119.1318 66.5534 31.2284 177.8593 88 H 4.0309 8.3596 115.7016 58.4394 28.4192 177.7741 89 K 3.9571 7.7841 121.7945 59.3903 31.9513 178.9507 90 L 4.0973 7.8558 119.3606 57.4942 41.4932 179.6557 91 K 3.2212 7.5745 118.2805 59.2849 31.9192 179.1936 92 E 3.9985 7.8446 118.7208 59.3644 29.1119 179.3760 93 A 4.0520 7.8221 120.0420 55.2159 18.5384 178.7782 94 Y 4.5198 8.2415 119.0861 60.2115 39.0174 177.4928 95 L 3.9479 8.4089 120.4664 56.3233 42.8563 177.1686 96 S 4.2256 7.2275 113.7354 57.9038 62.8172 175.0661 97 K 4.0550 8.5892 125.1061 59.3130 32.4817 177.5367 98 T 4.4017 7.3029 108.8690 61.1868 68.6533 174.2355 99 N 4.4758 8.1322 121.9275 54.1963 39.3336 175.5538 100 R 4.4122 8.3402 122.3173 56.2082 31.8933 176.2898 101 I 3.9462 7.9438 118.9409 61.4118 37.1316 175.7402 102 K 4.1231 9.1351 128.3389 58.7834 32.4171 177.5011 103 Q 4.0598 7.9201 119.1523 55.5275 29.5338 175.1677 104 K 4.2929 8.6264 126.2617 56.2055 32.5490 175.8719 105 I 4.1381 8.7716 128.5302 59.4880 38.5787 175.8720 106 T 4.4379 8.0426 115.6304 60.2790 70.4028 174.2731 107 N 4.6384 8.8789 120.6518 57.1356 39.1979 177.5871 108 E 4.1523 8.1523 114.7004 57.0530 29.1079 178.6842 *110 F 4.5457 8.1767 118.8440 57.7256 40.8327 176.5582 111 I 3.8713 8.1835 120.2370 64.5663 36.8284 178.6337 112 Q 4.2023 7.9398 123.3181 55.8981 28.0084 178.0175 *114 T 4.3234 8.0031 115.0162 63.6028 70.8625 176.3674 115 Q 4.0385 7.8140 121.4639 58.6991 29.0776 176.4772 116 P 4.3212 0.0000 0.0000 65.9857 31.0505 178.0956 117 I 3.7032 7.8038 118.0855 64.2685 37.3817 176.9836 118 Y 4.3608 8.2861 120.2644 61.2382 38.4247 178.2055 119 D 4.3395 8.5334 118.4618 56.8288 41.2080 178.2129 120 S 4.4729 7.9584 113.5279 58.4505 63.4251 174.2356 121 L 4.3610 7.0749 122.7157 54.9567 42.6133 176.2060 *123 N 4.6623 8.2681 114.7285 53.1641 39.2387 176.0616 124 V 4.4114 7.7604 118.6905 61.2769 32.6233 176.2905 125 D 4.7245 9.2363 126.9520 53.0917 42.6942 176.0839 126 R 4.4360 8.4833 123.7798 55.6241 29.7911 175.8071 127 L 4.1649 8.5105 127.9926 56.7340 42.5766 177.3097 128 G 4.0768 7.0809 103.8214 45.8734 0.0000 172.3641 129 I 5.5809 8.7475 120.2710 59.6666 40.4649 174.5065 130 Y 4.9612 9.8153 127.1440 55.8956 42.5296 173.9247 131 I 4.6450 7.0858 125.3970 59.0864 40.4945 174.5676 132 N 4.4485 8.5568 127.1083 52.2640 39.0402 174.2802 133 P 4.3270 0.0000 0.0000 65.4058 32.0058 177.9050 134 N 4.4776 9.2713 116.1783 55.9411 38.3726 175.7111 135 N 4.8407 8.1625 110.7213 51.6012 38.4593 173.7529 136 E 3.6936 8.0984 117.8337 57.6138 27.7878 173.6879 137 E 4.3625 8.0349 119.1714 54.8548 31.6861 175.1099 138 V 4.3129 8.6847 128.3907 62.0024 32.8404 174.5610 139 F 5.3446 9.9485 128.3901 56.2012 41.4043 175.0252 140 A 5.3761 9.1643 123.2205 50.1854 22.7554 174.4869 141 L 4.9787 8.7107 123.8298 53.1482 44.5045 175.7043 142 V 4.9415 8.6634 124.4194 60.3159 35.9512 174.3879 143 R 5.0316 8.9485 121.4202 55.1169 33.4811 173.5102 144 A 4.6828 8.8344 129.6982 51.5792 18.6756 177.3349 145 R 4.1375 8.9846 123.2948 59.4736 30.8620 176.9089 146 G 3.8534 7.6323 104.4534 44.8890 0.0000 171.4170 147 F 4.7129 7.5380 112.5101 54.1448 40.8804 174.7520 148 D 4.2383 8.9109 122.3712 52.4137 40.8463 177.0327 149 K 3.8658 7.5021 127.2234 60.3331 32.5914 178.5205 150 D 4.5587 8.0937 119.5733 56.5061 40.6293 178.6977 151 A 3.9733 7.9076 121.0966 54.9335 18.4364 179.1968 152 L 3.9617 7.9649 118.8771 58.5794 42.2590 179.4204 153 S 4.1309 8.7398 115.3976 61.5309 62.8401 176.6118 154 E 4.1360 8.2988 121.3343 59.3156 29.0131 179.5681 155 G 3.6605 7.8415 104.5156 47.9399 0.0000 175.4541 156 L 4.1407 8.2129 121.8688 57.7718 41.3696 179.3804 157 H 4.3910 8.1376 115.4377 58.0902 29.0038 177.9505 158 K 4.2617 7.6570 122.9072 55.6710 31.8228 176.8175 *160 S 4.2846 7.9771 107.7938 57.8667 64.5214 173.7139 161 L 4.4475 7.1080 119.9087 54.8737 42.8795 177.5525 162 D 4.5921 9.2935 120.9204 54.2993 42.6740 177.7474 163 N 4.4421 8.6719 119.1210 56.4644 38.5073 177.5662 164 Q 3.9375 8.0760 120.3188 59.0379 29.2717 177.9834 165 A 3.9641 7.9221 121.1887 55.1749 18.4567 179.2471 166 V 3.4170 8.0262 117.1023 66.3203 31.5332 177.8505 167 S 4.1114 8.1603 112.5469 61.7573 62.2161 176.3642 168 I 3.7655 8.0034 122.3291 64.2704 36.8929 178.4541 169 L 4.0233 8.4721 120.2277 57.8968 41.5459 179.7261 170 V 3.6869 8.2061 118.2523 65.8853 31.4928 177.8290 171 A 4.2237 8.0432 120.4840 55.3752 18.0655 179.8811 172 K 4.0456 7.9690 115.5411 59.2213 32.2851 179.6297 173 V 3.6542 7.6842 118.4755 65.9334 31.4454 177.7564 174 E 4.3240 8.1454 117.9291 59.7407 29.3814 179.0159 175 E 4.1879 8.2665 118.9471 59.1531 29.3377 179.1655 176 I 3.6191 7.6019 119.3272 64.4908 37.5956 178.1648 177 F 4.2493 8.0705 119.3125 59.6657 38.7289 177.9137 178 K 4.0564 8.7708 118.8364 59.6069 31.7592 179.0202 179 D 4.5536 7.9422 117.4229 56.3853 40.5620 178.1476 180 S 4.3122 7.4692 113.5828 60.2798 63.5741 174.3880 181 V 3.8815 7.5947 125.2065 63.1697 31.4124 175.3065 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 34 N 8.42 4.60 0.00 2.80 2.92 0.00 0.00 6.09 6.76 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 35 S 8.30 2.84 0.00 3.88 3.67 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 36 F 8.78 4.92 0.00 3.11 2.84 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 37 L 8.34 4.83 0.00 1.57 1.61 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.63 4.50 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 39 D 8.37 4.33 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.13 3.65 1.70 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 0.47 0.00 0.00 0.15 0.00 0.00 41 P 0.00 4.26 0.00 0.71 1.91 0.00 2.45 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 42 Y 8.50 4.00 0.00 2.92 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 43 W 7.17 4.51 0.00 3.61 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 *45 L 7.61 3.76 0.00 1.51 1.31 0.53 -0.09 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 46 Q 8.56 3.82 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 47 N 7.41 4.16 0.00 2.57 2.70 0.00 0.00 7.15 7.54 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 48 R 8.53 4.15 0.00 1.93 1.88 0.00 3.36 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 49 S 8.43 3.59 0.00 3.69 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.19 3.70 0.00 2.19 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 2.46 2.33 0.00 51 Y 7.16 4.88 0.00 2.97 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 52 I 8.57 3.67 1.74 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 1.43 0.43 0.73 0.00 0.00 53 T 7.81 4.05 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 54 Q 8.67 5.14 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 55 G 8.94 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 0.00 0.00 0.00 0.00 56 V 8.23 5.49 2.26 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 1.34 0.00 0.00 1.16 0.00 0.00 57 D 8.57 4.85 0.00 2.78 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 0.00 0.00 0.00 0.00 58 S 8.16 5.34 0.00 3.14 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.02 4.62 0.00 3.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.67 5.10 0.00 3.00 3.20 0.00 5.95 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.17 3.93 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.90 0.00 0.00 62 V 8.15 4.49 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 1.04 0.00 0.00 0.96 0.00 0.00 63 D 8.54 4.41 0.00 2.70 2.60 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 64 G 9.26 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 0.00 0.00 0.00 65 K 7.61 4.56 0.00 1.77 1.67 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.35 7.81 66 K 8.50 4.24 0.00 1.79 1.67 0.00 1.88 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.43 7.81 67 T 8.60 3.88 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 1.20 0.00 0.00 68 E 8.16 4.21 0.00 2.03 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 0.00 2.39 2.32 0.00 69 E 8.24 3.95 0.00 2.09 2.14 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 2.31 2.35 0.00 70 I 7.65 3.74 1.97 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 1.88 0.74 0.88 0.00 0.00 71 E 8.56 3.97 0.00 2.15 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 2.36 2.61 0.00 72 K 7.85 4.01 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.65 7.81 73 I 7.74 3.67 2.03 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 1.46 1.06 0.90 0.00 0.00 74 A 8.26 4.02 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 75 T 8.34 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 76 K 8.38 4.10 0.00 1.88 1.99 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.67 7.81 77 R 8.25 3.96 0.00 2.05 2.15 0.00 3.27 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 78 A 8.18 4.10 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 79 T 8.00 4.01 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 80 I 7.98 3.79 1.94 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.22 0.81 0.00 0.00 81 R 8.18 3.94 0.00 2.08 2.19 0.00 3.17 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 82 V 7.61 3.58 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.01 0.00 0.00 83 A 8.14 4.10 1.54 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 84 Q 8.53 4.03 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 85 N 8.55 4.39 0.00 2.98 2.85 0.00 0.00 6.96 6.87 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 86 I 7.93 3.65 2.06 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 1.25 0.74 0.88 0.00 0.00 87 V 7.98 3.63 2.26 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 1.13 0.00 0.00 1.07 0.00 0.00 88 H 8.36 4.03 0.00 3.39 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.78 3.96 0.00 1.79 1.99 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.50 7.81 90 L 7.86 4.10 0.00 2.00 1.91 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.57 3.22 0.00 1.69 1.46 0.00 1.34 0.00 0.00 1.30 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.86 7.81 92 E 7.84 4.00 0.00 2.07 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 2.29 2.60 0.00 93 A 7.82 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.24 4.52 0.00 3.19 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 95 L 8.41 3.95 0.00 1.90 1.66 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.23 4.23 0.00 4.04 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 97 K 8.59 4.06 0.00 1.88 1.91 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 98 T 7.30 4.40 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 1.21 0.00 0.00 99 N 8.13 4.48 0.00 3.02 2.69 0.00 0.00 7.07 6.93 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 0.00 100 R 8.34 4.41 0.00 1.84 1.95 0.00 3.44 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 101 I 7.94 3.95 2.32 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 1.14 0.00 0.00 102 K 9.14 4.12 0.00 1.72 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.44 7.81 103 Q 7.92 4.06 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 104 K 8.63 4.29 0.00 1.82 1.75 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.56 7.81 105 I 8.77 4.14 0.63 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 -0.49 0.00 0.00 106 T 8.04 4.44 4.43 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 1.22 0.00 0.00 107 N 8.88 4.64 0.00 2.89 2.92 0.00 0.00 6.89 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 0.00 108 E 8.15 4.15 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 2.41 2.41 0.00 *110 F 8.18 4.55 0.00 3.23 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 0.00 111 I 8.18 3.87 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.93 0.00 0.00 112 Q 7.94 4.20 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.39 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 *114 T 8.00 4.32 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 1.23 0.00 0.00 115 Q 7.81 4.04 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 116 P 0.00 4.32 0.00 2.34 2.33 0.00 3.96 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 117 I 7.80 3.70 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.98 0.00 0.00 118 Y 8.29 4.36 0.00 3.17 3.29 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 0.00 119 D 8.53 4.34 0.00 2.84 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 0.00 120 S 7.96 4.47 0.00 4.41 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 0.00 121 L 7.07 4.36 0.00 1.64 1.68 1.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *123 N 8.27 4.66 0.00 2.68 2.85 0.00 0.00 6.54 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 0.00 124 V 7.76 4.41 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 0.70 0.00 0.00 0.96 0.00 0.00 125 D 9.24 4.72 0.00 2.57 2.60 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 0.00 126 R 8.48 4.44 0.00 1.82 1.85 0.00 3.25 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 127 L 8.51 4.16 0.00 1.26 1.52 0.83 0.83 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 0.00 128 G 7.08 4.08 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 0.00 129 I 8.75 5.58 2.01 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 1.31 1.05 1.08 0.00 0.00 130 Y 9.82 4.96 0.00 2.83 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 0.00 131 I 7.09 4.64 1.67 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 1.17 0.71 0.85 0.00 0.00 132 N 8.56 4.45 0.00 3.00 2.99 0.00 0.00 7.07 7.86 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 0.00 133 P 0.00 4.33 0.00 2.08 2.09 0.00 3.76 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 2.03 2.13 0.00 134 N 9.27 4.48 0.00 2.84 2.90 0.00 0.00 6.82 8.41 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 0.00 135 N 8.16 4.84 0.00 2.85 2.93 0.00 0.00 6.07 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 0.00 136 E 8.10 3.69 0.00 2.20 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 2.22 2.22 0.00 137 E 8.03 4.36 0.00 1.99 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 0.00 1.47 1.72 0.00 138 V 8.68 4.31 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 0.92 0.00 0.00 0.89 0.00 0.00 139 F 9.95 5.34 0.00 3.43 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 0.00 140 A 9.16 5.38 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 0.00 141 L 8.71 4.98 0.00 0.27 0.22 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.66 4.94 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 0.75 0.00 0.00 0.96 0.00 0.00 143 R 8.95 5.03 0.00 1.83 1.77 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 144 A 8.83 4.68 1.45 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 0.00 0.00 0.00 145 R 8.98 4.14 0.00 1.85 2.04 0.00 3.44 0.00 0.00 3.41 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 146 G 7.63 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 0.00 147 F 7.54 4.71 0.00 3.07 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 0.00 0.00 0.00 0.00 148 D 8.91 4.24 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.50 3.87 0.00 2.00 1.62 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.42 7.81 150 D 8.09 4.56 0.00 2.65 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 0.00 151 A 7.91 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.96 0.00 2.04 2.10 0.98 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 0.00 153 S 8.74 4.13 0.00 3.90 3.96 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 0.00 154 E 8.30 4.14 0.00 2.22 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 2.35 2.53 0.00 155 G 7.84 3.66 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 0.00 156 L 8.21 4.14 0.00 1.62 1.66 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.14 4.39 0.00 3.35 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.66 4.26 0.00 1.96 2.02 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 *160 S 7.98 4.28 0.00 4.03 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 0.00 161 L 7.11 4.45 0.00 1.60 1.55 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 162 D 9.29 4.59 0.00 2.64 2.60 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 0.00 163 N 8.67 4.44 0.00 2.76 2.91 0.00 0.00 6.51 7.94 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 0.00 164 Q 8.08 3.94 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 165 A 7.92 3.96 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 0.00 166 V 8.03 3.42 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 0.90 0.00 0.00 0.76 0.00 0.00 167 S 8.16 4.11 0.00 3.95 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 0.00 168 I 8.00 3.77 1.93 0.00 0.00 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 1.56 0.89 0.97 0.00 0.00 169 L 8.47 4.02 0.00 1.79 1.74 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.21 3.69 2.15 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 1.21 0.00 0.00 1.04 0.00 0.00 171 A 8.04 4.22 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 0.00 172 K 7.97 4.05 0.00 1.92 1.92 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.72 7.81 173 V 7.68 3.65 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 0.26 0.00 0.00 0.88 0.00 0.00 174 E 8.15 4.32 0.00 2.38 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 2.81 2.93 0.00 175 E 8.27 4.19 0.00 2.25 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 2.32 2.38 0.00 176 I 7.60 3.62 1.89 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 1.44 0.83 0.59 0.00 0.00 177 F 8.07 4.25 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 0.00 178 K 8.77 4.06 0.00 1.83 1.90 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.80 7.81 179 D 7.94 4.55 0.00 2.77 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 0.00 180 S 7.47 4.31 0.00 3.99 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 0.00 181 V 7.59 3.88 2.24 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 0.82 0.00 0.00 1.11 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.