NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.5824 8.2227 120.2001 54.3614 43.4715 176.8886 9 F 3.8413 8.4488 120.4179 61.3209 39.1687 175.6337 10 S 4.1688 9.1630 115.6075 61.9374 63.2000 176.4184 11 S 4.2506 7.9393 117.1973 61.4140 62.7201 176.6318 12 L 3.9717 8.1761 122.1977 57.3744 41.4043 179.0763 13 K 3.6636 7.9266 119.9193 59.7956 32.1523 178.7266 14 E 4.0155 8.6509 118.8952 59.2764 29.4215 179.0842 15 E 4.0481 8.1598 119.1960 59.2996 29.5788 179.0281 16 T 4.0306 7.9707 115.4900 66.5293 68.5696 176.4593 17 A 4.0068 7.9883 122.6929 55.2444 18.2942 178.9026 18 Y 3.9471 8.1059 117.9130 60.8258 38.8381 178.6416 19 W 4.0490 8.0512 119.2254 59.3580 28.9849 178.2761 20 K 3.8907 8.2697 119.0294 59.7845 31.7035 177.9419 21 E 4.0082 7.9336 117.9593 59.1372 29.8384 178.1500 22 L 3.9331 7.8662 120.8596 57.8130 42.1326 180.4152 23 S 4.6260 8.1606 114.1853 58.4401 62.9157 176.3656 *25 K 4.1742 8.0997 123.4774 57.7704 34.0675 178.0584 26 Y 4.1508 8.1044 116.4729 60.5779 37.7237 177.8511 27 K 4.0882 8.2558 120.7478 59.6470 32.2509 178.5047 28 Q 3.9476 8.0769 119.0306 59.5622 29.1871 178.0963 29 S 4.1327 8.2251 116.1124 61.6008 62.8153 176.7842 30 F 4.3485 8.5060 123.3626 61.4740 39.1852 176.9568 31 Q 3.6207 8.1353 119.1833 59.1721 28.7690 178.1916 32 E 3.9007 8.4201 119.4078 59.3371 29.6325 179.1664 33 A 4.0183 7.9442 120.6295 55.3571 18.5510 179.9739 34 R 3.8782 7.9706 116.5114 59.2761 30.0728 179.1314 35 D 4.2969 8.3239 119.0848 57.3600 40.7897 178.2624 36 E 3.9735 8.5704 120.2706 59.1686 29.5150 178.7042 37 L 3.9743 7.8545 119.9790 58.1081 42.1179 178.9304 38 V 3.5957 7.6078 117.7324 66.1469 31.4408 177.5692 39 E 3.9343 8.2978 118.8522 59.3029 29.4959 178.6083 40 F 4.0895 8.6269 121.0147 61.3308 39.4712 177.0953 41 Q 4.0261 8.7297 118.2398 58.9776 28.4660 178.6393 42 E 4.0054 8.0143 120.2735 59.1656 29.5719 179.1115 43 G 3.4985 8.1062 106.0218 47.2523 0.0000 175.6549 44 S 3.9999 7.7193 116.2384 60.5650 63.4454 176.4094 45 R 3.7967 7.7917 122.4396 59.2095 29.7622 178.1864 46 E 3.8591 8.1548 119.0713 59.1486 29.7154 178.4696 47 L 3.9340 7.5177 120.4454 58.2359 42.0475 178.8764 48 E 3.9390 8.4244 118.4384 59.2785 29.4469 179.0447 49 A 4.0081 7.9130 120.6703 55.1432 18.3070 179.6384 50 E 3.8988 8.0498 116.5528 59.5227 29.5774 179.4316 51 L 3.9655 7.8031 118.9745 57.7529 41.7171 179.2014 52 E 3.8675 8.5570 119.2840 59.1815 29.6189 178.6421 53 A 3.9774 8.0249 120.6328 55.5135 18.4546 179.6361 54 Q 3.9990 8.4305 116.7794 59.0618 28.6819 179.3338 55 L 3.9765 7.8626 120.2051 57.5007 41.6558 179.3726 56 V 3.5496 7.8183 118.1916 66.3736 31.4181 178.1248 57 Q 3.9905 8.1730 117.3133 58.8736 28.5338 178.8387 58 A 3.9612 8.1814 121.9861 55.1405 18.5483 179.3024 59 E 3.9102 8.6757 118.3090 59.3286 29.7515 178.9288 60 Q 3.9552 8.1898 119.8010 59.0352 29.0732 178.1624 61 R 3.8973 8.1806 119.3168 59.3851 30.1782 178.2801 62 N 4.1787 8.1649 116.6742 57.0750 38.7905 177.0285 63 R 3.9675 7.9722 118.9637 59.3354 30.1308 178.8194 64 D 4.3670 8.0716 118.4805 57.2703 40.7149 178.8312 65 L 4.0023 8.7209 120.1858 57.8123 41.5965 179.3358 66 Q 3.9298 8.2555 119.3660 58.9855 29.0657 178.1461 67 A 4.0191 8.2378 122.0393 55.3315 18.3942 179.4174 68 D 4.3768 8.1771 117.4417 57.1339 40.8853 178.6135 69 N 4.2694 8.3781 118.1087 56.7737 38.9454 176.8028 70 Q 3.9246 8.2651 121.0865 59.0358 29.1391 178.0534 71 R 4.0841 8.0341 119.5632 59.6345 30.2983 178.6099 72 L 4.0974 8.2433 118.6779 57.4957 41.2082 179.6201 73 K 4.0292 8.0411 118.7072 59.4330 32.0191 178.9654 74 Y 4.1316 7.8492 116.8903 60.7833 37.6603 177.7637 75 E 4.0403 8.4961 120.5671 58.9756 29.7562 179.1131 76 V 3.6269 7.7896 118.4835 65.8934 31.6771 177.8826 77 E 4.0908 8.0160 116.4139 58.7316 29.5373 178.9087 78 A 3.9999 7.8722 122.0643 55.2496 18.3886 179.5904 79 L 3.9967 7.7470 117.6513 57.7403 41.5560 179.8567 80 K 3.9829 8.0766 118.5077 59.1492 32.0904 178.6507 81 E 4.0929 8.0096 118.7256 58.0834 29.6204 178.6382 82 K 4.0860 7.8248 118.7048 59.0440 32.2860 178.8838 83 L 3.6902 8.1202 120.9855 58.1304 42.0072 178.9322 84 E 3.9924 7.8645 118.7146 59.5596 29.3245 178.6988 85 H 4.1772 7.8273 117.4160 59.4317 29.8259 177.3999 86 Q 3.9087 7.9833 119.8339 59.0598 28.6409 178.1418 87 Y 4.4703 7.9351 117.5632 60.6572 37.8942 178.4891 88 A 3.9967 8.1513 122.0764 55.3963 18.6023 179.5471 89 Q 3.9561 8.2198 118.1134 59.1031 29.0020 178.3199 90 S 4.0894 8.5973 114.8643 61.5691 62.5445 175.4848 91 Y 4.0101 8.0196 121.7931 60.4354 38.3469 177.8960 92 K 3.9156 8.1431 120.1723 59.5942 32.2337 178.8074 93 Q 3.9319 8.0315 118.1790 59.0106 28.6674 178.8017 94 V 3.5065 7.8619 119.3516 66.2310 31.3577 178.0518 95 S 3.9363 7.7914 112.4955 60.8600 62.0156 176.3068 96 V 3.6084 7.5172 121.1652 65.7702 31.4736 177.8901 97 L 3.9367 8.1528 119.0914 57.8748 41.4088 179.2392 98 E 3.9470 8.3365 119.3004 59.2997 29.4649 178.5920 99 D 4.4195 7.8135 118.9104 57.1534 40.8097 178.4396 100 D 4.3498 8.3749 120.1552 56.9459 40.8668 178.4805 101 L 3.9414 7.7725 121.0582 58.1509 42.0565 179.2353 102 S 4.1431 7.9131 113.8875 61.4317 62.9232 176.1394 103 Q 3.9236 7.8789 123.3490 59.0962 28.7406 178.4725 104 T 3.8343 7.9236 116.7357 66.7396 68.5527 176.7437 105 R 3.9106 7.8476 119.2540 59.2244 30.1005 179.0127 106 A 3.9842 8.2551 120.6495 55.2313 18.3564 179.8288 107 I 3.6655 7.9774 118.6762 64.3690 37.2403 178.7031 108 K 3.9093 8.4971 120.1458 60.1798 32.2061 178.7278 109 E 4.0229 8.3113 120.3633 58.9977 29.5280 178.8079 110 Q 4.0274 8.1149 118.3034 58.9358 28.7990 178.5861 111 L 4.1113 8.1944 120.1686 58.1221 41.7338 179.0849 112 H 4.2915 8.3196 118.2283 59.2030 29.7553 177.5346 113 K 4.0798 8.1753 120.3898 59.4084 31.8680 178.7272 114 Y 4.2843 8.1722 120.0637 60.0765 38.5497 178.2861 115 V 3.4653 7.8333 120.5770 64.8184 31.5353 178.2929 116 R 3.8290 7.4007 118.4484 58.9396 29.8989 178.5466 117 E 3.8474 7.9563 118.6679 59.2565 29.6235 178.8562 118 L 3.7430 7.6847 119.1224 57.6489 41.5304 179.3734 119 E 3.8731 8.3352 118.8475 59.4511 29.3469 179.1450 120 Q 3.8877 8.2126 119.4256 59.2026 29.1922 178.2505 121 A 3.9565 8.1594 121.8440 55.0229 18.3545 179.1394 122 N 4.2981 8.0435 115.7847 56.6343 39.0292 177.0445 123 D 4.3162 8.3166 120.5967 57.5682 40.9025 178.4025 124 D 4.3796 8.3800 119.7038 57.3309 40.7536 178.7469 125 L 3.9486 7.8965 120.6872 57.7525 42.0749 178.6290 126 E 3.8798 8.2442 119.4175 59.3120 29.5940 178.5859 127 R 3.8831 8.0228 117.8131 59.5888 30.1752 178.6450 128 A 4.0023 8.2465 120.2271 55.1347 18.3558 179.5224 129 K 3.8450 8.4271 118.3162 59.8103 32.0752 179.3169 130 R 3.9121 7.8878 116.6800 59.2298 30.0842 178.6184 131 A 4.1469 8.2048 119.8971 55.4598 18.5711 179.5136 132 T 4.0400 8.1414 114.3983 66.6365 68.3307 176.7837 133 I 4.1140 7.5808 118.5493 62.0983 36.7045 177.6973 *135 S 4.4142 7.9373 116.3066 58.4483 64.0717 175.9646 136 L 4.0998 8.1306 120.2520 57.7726 41.1619 179.4252 137 E 3.9963 8.5948 118.9981 59.2022 29.3881 178.5088 138 D 4.3467 8.2279 117.7232 57.7003 41.3222 178.2625 139 F 3.6897 8.1708 120.4277 60.9739 39.3481 176.6558 140 E 4.0281 8.4748 119.1567 59.4434 29.4278 178.8652 141 Q 3.9961 8.3217 118.1742 59.1008 28.8535 178.8695 142 R 3.8323 8.0551 119.0457 59.2529 30.0194 179.2054 143 L 4.0109 7.8865 118.4456 57.8065 41.8219 179.0307 144 N 4.3488 8.2722 116.4561 56.6927 38.5969 177.5184 145 Q 4.0229 8.3876 119.1522 58.6381 28.7407 178.5923 146 A 4.0152 7.9648 121.9008 55.1318 18.4113 179.5713 147 I 3.6820 8.3197 118.7071 64.7294 37.1292 178.5445 148 E 4.0086 8.0553 118.9564 59.3064 29.2424 179.6319 149 R 3.9948 7.8981 117.6225 59.3093 30.1056 178.6760 150 N 4.3074 8.1709 116.0093 56.5611 38.4980 177.3304 151 A 3.9924 8.2520 121.9543 54.9713 18.3459 179.6026 152 F 4.1432 8.3919 119.3953 61.4600 39.5334 177.2544 153 L 3.7164 8.4224 120.4771 57.9718 41.8639 178.3302 154 E 3.8747 8.4255 119.5520 59.4803 29.4601 179.1306 155 S 4.0544 7.7524 115.0611 61.6207 62.7685 176.4426 156 E 3.7709 7.7212 121.2302 59.3634 29.0174 179.4906 157 L 3.9805 8.0100 119.1009 57.5257 41.8202 178.9505 158 D 4.2475 8.0261 118.2103 57.0417 40.8801 177.6348 159 E 3.8938 8.2489 120.2619 59.1624 29.6620 178.6045 160 K 4.2022 7.7227 117.1588 58.0464 33.0409 178.4178 161 E 3.8786 8.3038 121.9100 59.6159 29.6339 178.7689 162 S 4.1284 7.9434 114.7307 61.5118 62.5930 176.7376 163 L 4.0208 7.4479 120.8602 57.7609 41.4885 179.2207 164 L 4.1595 8.0170 118.7723 57.2643 41.3252 179.6174 165 V 3.7061 7.8845 118.6639 65.8045 31.5069 177.7824 166 S 4.2370 7.9598 113.3372 61.3366 62.7975 174.9583 167 V 3.8753 7.1915 123.8560 62.9810 31.4427 175.3323 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 8 D 8.22 4.58 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.45 3.84 0.00 3.29 3.10 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 10 S 9.16 4.17 0.00 3.96 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 11 S 7.94 4.25 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.18 3.97 0.00 1.55 1.58 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.93 3.66 0.00 1.41 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 E 8.65 4.02 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 15 E 8.16 4.05 0.00 2.24 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 0.00 2.43 2.67 0.00 16 T 7.97 4.03 4.36 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 1.25 0.00 0.00 17 A 7.99 4.01 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 18 Y 8.11 3.95 0.00 2.86 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 19 W 8.05 4.05 0.00 3.54 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 20 K 8.27 3.89 0.00 1.87 1.88 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 21 E 7.93 4.01 0.00 2.02 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 0.00 2.26 2.26 0.00 22 L 7.87 3.93 0.00 1.20 1.61 0.63 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.16 4.63 0.00 4.17 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 0.00 *25 K 8.10 4.17 0.00 1.80 1.61 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.45 7.81 26 Y 8.10 4.15 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.26 4.09 0.00 2.03 1.89 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.62 7.81 28 Q 8.08 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 29 S 8.23 4.13 0.00 4.20 4.01 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 30 F 8.51 4.35 0.00 3.14 3.36 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 31 Q 8.14 3.62 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 32 E 8.42 3.90 0.00 2.05 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 2.32 2.48 0.00 33 A 7.94 4.02 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 34 R 7.97 3.88 0.00 1.80 1.86 0.00 2.21 0.00 0.00 2.65 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 35 D 8.32 4.30 0.00 2.78 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 36 E 8.57 3.97 0.00 2.15 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 2.34 2.36 0.00 37 L 7.85 3.97 0.00 1.85 1.84 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.61 3.60 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 0.94 0.00 0.00 0.93 0.00 0.00 39 E 8.30 3.93 0.00 2.27 2.16 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 2.34 2.33 0.00 40 F 8.63 4.09 0.00 3.26 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 41 Q 8.73 4.03 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 42 E 8.01 4.01 0.00 1.98 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 2.26 2.29 0.00 43 G 8.11 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 0.00 0.00 0.00 44 S 7.72 4.00 0.00 3.85 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 45 R 7.79 3.80 0.00 1.99 2.11 0.00 3.07 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 46 E 8.15 3.86 0.00 2.14 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 2.27 2.28 0.00 47 L 7.52 3.93 0.00 1.65 1.74 0.89 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 48 E 8.42 3.94 0.00 2.08 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 2.32 2.34 0.00 49 A 7.91 4.01 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 50 E 8.05 3.90 0.00 2.14 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 2.31 2.57 0.00 51 L 7.80 3.97 0.00 1.88 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.56 3.87 0.00 2.26 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 2.30 2.33 0.00 53 A 8.02 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.43 4.00 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 55 L 7.86 3.98 0.00 1.86 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.82 3.55 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 1.03 0.00 0.00 0.96 0.00 0.00 57 Q 8.17 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 58 A 8.18 3.96 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 59 E 8.68 3.91 0.00 2.12 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 0.00 2.31 2.36 0.00 60 Q 8.19 3.96 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 61 R 8.18 3.90 0.00 2.02 1.97 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 62 N 8.16 4.18 0.00 2.88 2.99 0.00 0.00 7.30 7.14 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 63 R 7.97 3.97 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 64 D 8.07 4.37 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 4.00 0.00 1.79 1.72 0.92 1.03 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 66 Q 8.26 3.93 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 67 A 8.24 4.02 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 68 D 8.18 4.38 0.00 2.86 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 69 N 8.38 4.27 0.00 2.91 2.80 0.00 0.00 6.75 7.60 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 70 Q 8.27 3.92 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 71 R 8.03 4.08 0.00 2.13 2.14 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 72 L 8.24 4.10 0.00 1.80 1.71 0.93 0.69 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 73 K 8.04 4.03 0.00 1.82 1.69 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.54 7.81 74 Y 7.85 4.13 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 75 E 8.50 4.04 0.00 2.16 2.02 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 2.32 2.33 0.00 76 V 7.79 3.63 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 0.99 0.00 0.00 0.98 0.00 0.00 77 E 8.02 4.09 0.00 2.24 2.19 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 2.31 2.46 0.00 78 A 7.87 4.00 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 79 L 7.75 4.00 0.00 1.80 1.71 0.92 0.90 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 80 K 8.08 3.98 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.60 7.81 81 E 8.01 4.09 0.00 2.17 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 2.28 2.35 0.00 82 K 7.82 4.09 0.00 1.92 1.79 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.54 7.81 83 L 8.12 3.69 0.00 1.79 1.50 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.86 3.99 0.00 2.02 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 2.45 2.51 0.00 85 H 7.83 4.18 0.00 3.36 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.98 3.91 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 87 Y 7.94 4.47 0.00 2.98 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 88 A 8.15 4.00 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 89 Q 8.22 3.96 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 90 S 8.60 4.09 0.00 4.11 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.02 4.01 0.00 3.24 3.16 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 92 K 8.14 3.92 0.00 2.02 2.12 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.54 7.81 93 Q 8.03 3.93 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 94 V 7.86 3.51 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 0.88 0.00 0.00 0.96 0.00 0.00 95 S 7.79 3.94 0.00 3.58 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 0.00 96 V 7.52 3.61 2.16 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 1.05 0.00 0.00 0.91 0.00 0.00 97 L 8.15 3.94 0.00 1.85 1.69 0.90 0.87 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 98 E 8.34 3.95 0.00 2.11 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 2.27 2.31 0.00 99 D 7.81 4.42 0.00 2.80 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 0.00 100 D 8.37 4.35 0.00 2.83 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 0.00 101 L 7.77 3.94 0.00 1.89 1.86 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.91 4.14 0.00 4.08 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 0.00 103 Q 7.88 3.92 0.00 2.08 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 104 T 7.92 3.83 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 1.20 0.00 0.00 105 R 7.85 3.91 0.00 2.06 1.98 0.00 3.22 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 1.64 1.65 0.00 106 A 8.26 3.98 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 0.00 107 I 7.98 3.67 1.87 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 1.57 0.64 0.91 0.00 0.00 108 K 8.50 3.91 0.00 1.93 2.30 0.00 1.29 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.44 7.81 109 E 8.31 4.02 0.00 2.26 2.16 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 2.32 2.42 0.00 110 Q 8.11 4.03 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 111 L 8.19 4.11 0.00 1.93 1.79 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.32 4.29 0.00 3.42 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.18 4.08 0.00 2.05 1.88 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.64 7.81 114 Y 8.17 4.28 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.83 3.47 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 0.95 0.00 0.00 0.90 0.00 0.00 116 R 7.40 3.83 0.00 2.20 2.00 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 117 E 7.96 3.85 0.00 2.05 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 2.15 2.32 0.00 118 L 7.68 3.74 0.00 1.64 1.52 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.34 3.87 0.00 2.09 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 2.39 0.00 120 Q 8.21 3.89 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 121 A 8.16 3.96 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 0.00 122 N 8.04 4.30 0.00 2.97 2.81 0.00 0.00 7.14 8.53 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 0.00 123 D 8.32 4.32 0.00 2.84 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 0.00 124 D 8.38 4.38 0.00 2.65 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 0.00 125 L 7.90 3.95 0.00 2.02 1.83 0.91 0.73 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 0.00 126 E 8.24 3.88 0.00 2.23 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 2.30 2.39 0.00 127 R 8.02 3.88 0.00 2.04 1.98 0.00 3.19 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 1.65 1.66 0.00 128 A 8.25 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 138 D 8.23 4.35 0.00 2.81 2.94 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 0.00 0.00 0.00 139 F 8.17 3.69 0.00 3.38 3.12 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 0.00 0.00 0.00 0.00 140 E 8.47 4.03 0.00 2.41 2.20 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 2.34 2.44 0.00 141 Q 8.32 4.00 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 142 R 8.06 3.83 0.00 1.70 1.78 0.00 2.83 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 143 L 7.89 4.01 0.00 1.99 1.75 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.27 4.35 0.00 2.91 2.88 0.00 0.00 7.08 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 0.00 145 Q 8.39 4.02 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 146 A 7.96 4.02 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 0.00 147 I 8.32 3.68 2.03 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 1.54 0.71 0.93 0.00 0.00 148 E 8.06 4.01 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 2.34 2.58 0.00 149 R 7.90 3.99 0.00 1.91 2.03 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 150 N 8.17 4.31 0.00 2.98 2.90 0.00 0.00 6.97 7.56 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 0.00 151 A 8.25 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 0.00 152 F 8.39 4.14 0.00 3.19 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 0.00 153 L 8.42 3.72 0.00 1.80 1.65 0.90 0.76 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 0.00 154 E 8.43 3.87 0.00 2.17 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 2.29 2.34 0.00 155 S 7.75 4.05 0.00 3.79 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 0.00 156 E 7.72 3.77 0.00 1.92 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 1.85 1.50 0.00 157 L 8.01 3.98 0.00 1.78 1.67 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.03 4.25 0.00 2.93 2.62 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 0.00 159 E 8.25 3.89 0.00 2.17 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 0.00 2.27 2.35 0.00 160 K 7.72 4.20 0.00 1.99 2.10 0.00 1.24 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.60 7.81 161 E 8.30 3.88 0.00 2.15 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 0.00 2.29 2.34 0.00 162 S 7.94 4.13 0.00 4.08 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 0.00 163 L 7.45 4.02 0.00 1.59 1.72 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.02 4.16 0.00 1.81 1.70 0.94 0.86 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 0.00 165 V 7.88 3.71 2.20 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 0.84 0.00 0.00 0.99 0.00 0.00 166 S 7.96 4.24 0.00 4.07 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 0.00 167 V 7.19 3.88 2.19 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 0.80 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.