NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.0938 8.2993 120.1088 56.8300 33.3053 175.0879 4 T 4.3249 7.8543 110.4432 59.3609 68.9996 171.9218 5 Y 4.7292 7.5936 119.0678 56.9505 41.1937 174.6684 6 D 4.4940 9.1412 120.7124 55.8885 42.2339 176.8582 7 Y 4.8490 7.9822 113.7864 55.9278 42.7619 174.3124 8 L 4.9239 8.7173 123.4821 53.4706 44.4278 175.2710 9 F 5.2955 8.8577 125.9995 55.7945 41.7700 174.9523 10 K 5.0119 8.8232 123.1194 55.6368 33.5827 175.6917 11 L 5.4671 9.5321 125.0994 52.9038 45.8844 175.3744 12 L 5.3125 8.9941 121.9144 52.9253 44.8348 175.0632 13 L 5.1604 9.2236 126.2578 53.4629 44.2708 175.0347 14 I 4.4938 9.1216 127.2117 59.9977 40.8475 174.4725 15 G 4.8535 8.7815 113.0144 44.5275 0.0000 173.2064 16 D 4.5105 8.9786 123.3163 55.3242 41.5203 172.3482 17 S 3.5055 8.6008 123.1757 57.5842 63.3898 171.1659 *32 A 4.0947 8.3576 128.0436 52.1782 19.5809 175.6969 33 F 5.1329 8.0317 123.1157 57.7215 41.7342 173.7110 34 N 4.2214 8.3652 115.2595 52.8590 41.3983 175.3663 35 S 4.5394 8.2106 119.5781 55.9907 64.7822 174.0982 36 T 3.8494 8.5204 126.2974 66.7407 68.5317 175.8027 37 F 4.0784 8.3990 121.8799 61.8871 39.1762 177.3960 38 I 3.6457 7.7974 118.4769 64.2915 36.7820 178.1593 39 S 4.1022 8.1472 115.8015 62.0031 62.7308 176.7264 40 T 3.9873 7.6822 111.4572 64.6913 68.6748 176.6093 41 I 3.7436 7.0736 121.3995 61.7961 37.5998 177.7625 42 G 4.0157 7.6911 103.1209 45.6803 0.0000 172.6508 43 I 3.9871 7.7320 120.7655 60.2514 37.7278 175.4413 44 D 4.5168 8.0261 126.0744 55.7062 41.7030 175.9838 45 F 4.7921 6.4246 112.4268 55.5031 41.4232 172.4896 46 K 4.5994 8.8429 117.4403 54.5497 36.0535 175.4635 47 I 4.8803 8.2024 122.6856 59.7465 39.3478 175.2847 48 R 4.7064 8.8839 124.8404 54.6142 34.6587 174.2564 49 T 5.1098 8.3622 117.0959 61.8121 71.6080 173.2889 50 I 4.7718 8.4480 118.0827 59.2413 41.8330 173.5689 51 E 5.1756 8.8651 121.0761 54.6032 32.5263 176.1326 52 L 4.6300 8.4561 122.9397 53.8932 44.3905 176.3821 53 D 4.1982 9.6888 125.1824 55.4672 38.2129 175.0790 54 G 3.9503 8.4166 103.8969 45.9385 0.0000 174.1967 55 K 4.6649 7.8157 119.3239 54.9564 33.9108 175.5562 56 R 4.9354 9.4701 121.8781 55.0872 31.9869 175.3384 57 I 4.6374 8.5206 125.7366 59.3223 39.5216 174.6363 58 K 4.5095 8.7638 129.9472 55.2605 33.5834 175.0930 59 L 5.0488 8.7747 127.8780 52.9456 44.5042 175.0298 60 Q 4.6486 8.8932 125.5927 54.4085 31.0717 174.0909 61 I 5.0595 8.4654 128.1836 59.3577 40.3855 174.5772 62 W 4.9195 9.4262 127.5773 55.0933 31.1656 174.7707 63 D 5.3741 8.9104 124.2980 52.1101 42.7246 176.0941 64 T 4.7841 8.4745 120.0352 60.8160 67.5175 174.4440 65 A 4.4275 8.2513 124.7771 52.5264 20.2451 179.1793 66 G 3.9194 8.9553 109.9076 45.3362 0.0000 173.0716 67 Q 4.5317 7.3318 118.8263 53.8964 29.9545 175.1838 68 E 4.3374 8.6257 123.5802 55.5284 30.4785 176.7818 69 R 3.9555 8.3848 119.9249 55.7779 30.7212 176.1069 70 F 4.8267 7.8945 118.4260 58.8611 40.4502 177.0281 71 R 4.1964 7.7603 116.2783 55.6052 30.1144 176.3910 72 T 3.8505 8.2995 118.2951 63.6158 69.0151 173.9842 73 I 3.6371 8.0652 127.4830 60.9782 37.8551 175.3914 74 T 4.5337 7.9707 114.4571 59.3697 71.7788 174.8719 75 T 4.2210 8.4574 116.8433 66.8834 67.9534 176.5165 76 A 4.0404 7.5815 121.3830 55.0472 18.3672 178.6819 77 Y 3.7981 7.8086 117.7561 60.0221 39.0234 176.1422 78 Y 4.6295 7.5648 114.4664 57.2482 39.4913 175.2742 79 R 3.9675 7.8314 121.6849 57.8701 30.3325 176.4803 80 G 3.9241 8.9644 113.7894 45.1947 0.0000 173.4984 81 A 4.0735 7.3097 122.6982 52.8894 18.9742 176.9662 82 M 4.4606 9.4908 122.0774 56.0229 34.4637 176.4103 83 G 4.5659 7.9048 104.0913 44.5468 0.0000 171.6980 84 I 5.1120 8.8217 122.8128 59.4170 41.1301 173.9461 85 M 4.7896 9.3572 127.3844 53.8512 34.2158 174.3375 86 L 5.1043 9.1393 126.8988 53.3219 44.0442 175.7542 87 V 5.0279 9.2765 119.1204 59.6719 34.6358 174.7273 88 Y 5.3552 8.5231 121.4593 55.4378 42.3315 173.4492 89 D 5.2763 8.9477 121.2940 53.0093 42.1458 177.3141 90 I 4.2303 9.1803 121.2267 63.1841 37.6360 177.2166 91 T 4.5504 7.8451 110.2180 61.8598 69.0707 174.4873 92 N 4.9772 8.6949 121.9104 51.5720 41.8287 174.1488 93 E 4.0577 8.8318 128.4725 58.9557 29.8759 178.3589 94 K 3.9303 8.1518 119.5518 59.7010 32.2326 178.7394 95 S 4.2237 9.2255 114.7102 61.3793 62.5474 176.3497 96 F 4.0106 8.0482 123.7991 61.1816 39.2262 176.8851 97 D 4.0853 8.1348 117.4066 56.9596 40.9205 177.6439 98 N 4.3477 8.4973 118.2836 56.6685 38.8462 176.9313 99 I 3.9910 7.4175 120.0215 64.1439 37.1807 178.3400 100 R 3.6269 7.4499 119.9333 59.2701 29.8454 178.3456 101 N 4.1941 7.9963 116.3002 55.9451 38.5101 177.4343 102 W 4.1304 8.0328 120.2675 59.8490 29.2216 178.4533 103 I 3.5737 7.9694 119.9840 64.3157 36.6267 178.1733 104 R 3.7783 7.6014 119.2505 59.6945 29.8695 178.1058 105 N 4.3777 8.0321 116.5585 56.4875 38.8263 176.8703 106 I 2.9989 8.2807 121.6559 64.3760 37.0255 178.1991 107 E 3.8629 7.8546 117.6785 59.0254 29.2359 178.5985 108 E 4.1341 7.4710 117.1813 58.3428 30.1114 177.0488 109 H 4.8370 7.9435 113.4164 55.0952 30.5154 174.7713 110 A 4.6037 7.1816 123.1987 50.1120 19.9794 177.0143 111 S 4.1102 8.5407 115.7471 59.2479 63.3139 175.5628 112 A 4.2541 8.5111 124.9232 53.4502 18.3502 177.7025 113 D 4.7107 7.7664 114.6485 53.9493 41.5284 176.6144 114 V 3.8811 7.1550 119.9855 62.5874 32.2373 175.6410 115 E 4.3447 8.8361 127.3475 56.2772 30.6237 175.9729 116 K 5.1529 8.4082 121.2504 55.2056 36.5882 175.2846 117 M 4.9566 8.7858 121.1732 54.4863 36.2980 173.3209 118 I 4.9642 8.9508 126.5013 59.6536 40.1646 174.3326 119 L 4.7732 9.5672 129.2510 53.1299 44.9470 175.5207 120 G 3.3833 8.9945 115.8906 45.1375 0.0000 171.6221 121 N 5.1370 8.8574 126.0782 52.2859 41.6651 174.4064 122 K 4.3089 8.5307 121.2106 56.7461 31.3175 175.5807 *124 D 4.2673 8.0668 119.6039 53.7959 39.7543 174.8458 125 V 3.0332 7.6234 115.6783 64.5105 32.2345 171.9820 *127 D 4.4490 7.5762 119.4092 53.6318 42.3945 175.8466 128 K 4.0729 8.4352 121.9392 56.1238 32.6291 177.0244 129 R 4.0597 8.5869 124.4086 56.5867 30.4297 175.7939 130 Q 4.3951 8.7439 123.5343 55.8584 30.6382 175.6460 131 V 4.0703 7.7849 118.2924 60.5491 32.3646 176.1349 132 S 4.3877 8.1399 122.3635 57.9425 65.1422 175.0056 133 K 4.1073 8.4589 123.1512 59.4644 32.0575 178.5234 134 E 4.2388 8.0296 120.5655 58.8189 29.5967 178.7422 135 R 3.9831 7.7213 117.8472 59.2497 30.2096 179.3336 136 G 3.2207 7.4531 104.5315 47.7132 0.0000 175.6324 137 E 3.6971 7.9317 121.6646 58.9194 29.4442 179.7146 138 K 3.9869 8.4758 118.9572 59.0252 31.6209 179.1519 139 L 4.0386 8.0649 120.5699 58.2439 41.9774 178.9553 140 A 4.1371 7.8963 120.3498 55.0659 17.9878 179.3934 141 L 3.9052 7.8744 118.5466 58.4662 42.0019 178.9774 142 D 4.2827 8.1460 117.4168 56.2607 40.7677 177.1281 143 Y 4.6100 7.2987 113.9449 56.2131 39.5398 175.2885 144 G 3.9241 7.9784 107.7117 46.5799 0.0000 173.1480 145 I 4.8439 7.9374 110.4310 58.4975 41.5210 175.7756 146 K 4.4310 8.5760 121.5328 56.4212 33.4647 175.8902 147 F 5.4769 8.7155 123.9803 56.8701 42.3645 173.7684 148 M 4.3834 8.5899 124.8574 53.1816 35.9139 174.0516 149 E 4.5851 8.2669 123.6022 54.6818 31.1485 174.8066 150 T 4.6821 8.6703 118.3033 59.6168 69.4555 174.9108 *154 A 4.1723 8.5984 127.3677 50.4106 20.4767 177.7061 155 N 4.2895 8.3685 110.3790 53.8292 38.2130 173.4353 156 I 4.4059 7.3241 117.5797 60.2733 39.0346 173.9422 157 N 5.1945 8.1286 123.9000 50.6090 40.3343 174.4756 158 V 3.6174 8.5097 115.4141 66.5310 31.3668 178.3254 159 E 4.1640 8.2559 118.5488 59.6210 29.6807 178.2072 160 N 4.3519 8.4226 115.7492 56.4569 38.4674 177.0639 161 A 3.9478 7.8472 121.5712 55.2266 18.4639 179.7502 162 F 4.0017 8.3448 116.3508 60.5372 38.9679 177.8306 163 F 4.0074 8.6967 117.5226 60.8882 38.7039 177.8372 164 T 3.8680 8.1433 115.1030 66.6261 68.3064 176.2578 165 L 3.8761 8.2521 122.3602 58.2635 41.9347 178.9856 166 A 4.0782 8.5470 120.9089 55.0624 18.3672 179.1917 167 R 3.8644 8.5603 117.6887 60.0888 29.9409 178.3174 168 D 4.3548 8.2513 118.2961 57.5302 40.7875 178.9950 169 I 3.5225 7.6555 120.3243 63.7603 36.9331 178.4218 170 K 3.8039 8.2633 120.7574 59.3206 31.7339 178.5419 171 A 4.0030 7.9785 120.9214 55.3099 17.8708 179.5076 172 K 3.9022 7.7136 116.7922 60.0701 31.9847 179.2455 173 M 4.1449 8.0454 118.1877 58.6897 31.9569 177.9117 174 D 4.6108 8.1703 118.1721 57.3527 41.3453 178.7263 175 K 4.1826 7.8312 117.5192 59.7465 31.9235 178.9184 176 N 4.3658 7.6878 114.5826 56.4909 38.5387 176.9269 177 W 4.7529 8.1710 131.1626 60.3314 30.8739 176.5912 178 K 3.9955 7.9507 123.7171 54.5463 32.3162 178.5997 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 3 K 8.30 4.09 0.00 1.48 1.27 0.00 1.25 0.00 0.00 0.80 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.21 7.81 4 T 7.85 4.32 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 1.22 0.00 0.00 5 Y 7.59 4.73 0.00 3.15 2.88 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 6 D 9.14 4.49 0.00 2.80 2.47 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 7 Y 7.98 4.85 0.00 2.32 2.44 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 8 L 8.72 4.92 0.00 1.53 1.61 0.76 0.67 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 9 F 8.86 5.30 0.00 2.95 2.81 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 10 K 8.82 5.01 0.00 1.95 1.98 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.26 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.74 1.58 7.81 11 L 9.53 5.47 0.00 1.67 1.73 1.16 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.99 5.31 0.00 1.67 1.58 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.22 5.16 0.00 1.93 1.74 1.14 1.00 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 14 I 9.12 4.49 1.54 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.66 -0.43 0.00 0.00 15 G 8.78 4.85 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 D 8.98 4.51 0.00 2.82 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 17 S 8.60 3.51 0.00 4.02 3.87 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 *32 A 8.36 4.09 1.24 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 0.00 0.00 33 F 8.03 5.13 0.00 3.04 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 34 N 8.37 4.22 0.00 2.69 2.71 0.00 0.00 6.52 7.63 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 35 S 8.21 4.54 0.00 3.87 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 36 T 8.52 3.85 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 1.26 0.00 0.00 37 F 8.40 4.08 0.00 3.11 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 38 I 7.80 3.65 1.99 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 1.73 0.85 0.86 0.00 0.00 39 S 8.15 4.10 0.00 4.01 3.94 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 40 T 7.68 3.99 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 1.22 0.00 0.00 41 I 7.07 3.74 1.61 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.17 0.78 0.00 0.00 42 G 7.69 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.73 3.99 1.80 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 1.24 0.80 0.75 0.00 0.00 44 D 8.03 4.52 0.00 2.56 2.27 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 45 F 6.42 4.79 0.00 2.02 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 46 K 8.84 4.60 0.00 1.53 1.55 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.23 7.81 47 I 8.20 4.88 1.81 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 1.24 0.69 0.77 0.00 0.00 48 R 8.88 4.71 0.00 1.51 1.61 0.00 2.80 0.00 0.00 2.99 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 49 T 8.36 5.11 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 1.17 0.00 0.00 50 I 8.45 4.77 1.36 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.47 0.55 0.00 0.00 51 E 8.87 5.18 0.00 1.90 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 2.44 2.32 0.00 52 L 8.46 4.63 0.00 1.66 1.57 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.69 4.20 0.00 2.87 2.79 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 54 G 8.42 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 55 K 7.82 4.66 0.00 2.09 2.05 0.00 1.86 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.77 7.81 56 R 9.47 4.94 0.00 1.77 1.91 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 57 I 8.52 4.64 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.82 0.29 0.00 0.00 58 K 8.76 4.51 0.00 1.12 1.11 0.00 1.23 0.00 0.00 1.56 0.00 0.00 2.68 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.73 1.10 7.81 59 L 8.77 5.05 0.00 1.41 1.45 0.75 0.71 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 60 Q 8.89 4.65 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.51 0.00 61 I 8.47 5.06 1.72 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.42 0.89 0.00 0.00 62 W 9.43 4.92 0.00 3.20 2.92 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 63 D 8.91 5.37 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 64 T 8.47 4.78 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 1.28 0.00 0.00 65 A 8.25 4.43 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 66 G 8.96 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 67 Q 7.33 4.53 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 68 E 8.63 4.34 0.00 2.00 1.92 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 2.38 2.36 0.00 69 R 8.38 3.96 0.00 1.83 1.95 0.00 3.04 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 70 F 7.89 4.83 0.00 3.10 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 71 R 7.76 4.20 0.00 1.95 2.00 0.00 3.17 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 72 T 8.30 3.85 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 73 I 8.07 3.64 1.69 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 1.47 0.48 0.62 0.00 0.00 74 T 7.97 4.53 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 75 T 8.46 4.22 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 76 A 7.58 4.04 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 77 Y 7.81 3.80 0.00 2.78 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 78 Y 7.56 4.63 0.00 3.16 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 79 R 7.83 3.97 0.00 1.92 1.80 0.00 3.25 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 80 G 8.96 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 81 A 7.31 4.07 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 82 M 9.49 4.46 0.00 1.83 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.48 0.00 83 G 7.90 4.57 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 0.00 0.00 0.00 84 I 8.82 5.11 1.87 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 1.20 0.80 0.92 0.00 0.00 85 M 9.36 4.79 0.00 1.96 1.54 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.89 0.00 86 L 9.14 5.10 0.00 1.73 1.63 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.28 5.03 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 0.68 0.00 0.00 1.03 0.00 0.00 88 Y 8.52 5.36 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.95 5.28 0.00 2.93 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 90 I 9.18 4.23 1.97 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 1.52 0.76 0.97 0.00 0.00 91 T 7.85 4.55 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 1.29 0.00 0.00 92 N 8.69 4.98 0.00 2.88 2.79 0.00 0.00 6.77 7.52 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 93 E 8.83 4.06 0.00 2.16 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 2.41 2.49 0.00 94 K 8.15 3.93 0.00 1.91 2.05 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.54 7.81 95 S 9.23 4.22 0.00 4.21 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 96 F 8.05 4.01 0.00 2.84 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 97 D 8.13 4.09 0.00 2.95 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 98 N 8.50 4.35 0.00 3.09 3.04 0.00 0.00 7.07 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 99 I 7.42 3.99 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.11 0.97 0.00 0.00 100 R 7.45 3.63 0.00 1.43 1.86 0.00 2.95 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 101 N 8.00 4.19 0.00 2.74 2.56 0.00 0.00 7.02 7.69 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 0.00 102 W 8.03 4.13 0.00 3.56 3.23 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 0.00 103 I 7.97 3.57 1.45 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.51 4.25 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 0.00 113 D 7.77 4.71 0.00 2.67 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 0.00 114 V 7.15 3.88 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 0.72 0.00 0.00 1.02 0.00 0.00 115 E 8.84 4.34 0.00 1.89 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 0.00 2.24 2.33 0.00 116 K 8.41 5.15 0.00 1.57 1.64 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.55 7.81 117 M 8.79 4.96 0.00 1.96 1.78 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 2.47 2.45 0.00 118 I 8.95 4.96 2.27 0.00 0.00 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 1.25 0.67 1.41 0.00 0.00 119 L 9.57 4.77 0.00 1.49 1.34 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.99 3.38 0.00 0.00 0.00 0.00 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0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 131 V 7.78 4.07 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 -0.29 0.00 0.00 0.90 0.00 0.00 132 S 8.14 4.39 0.00 4.05 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 0.00 133 K 8.46 4.11 0.00 2.03 1.90 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.25 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.73 1.93 7.81 134 E 8.03 4.24 0.00 2.05 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 2.35 2.25 0.00 135 R 7.72 3.98 0.00 1.69 1.69 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 136 G 7.45 3.22 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 0.00 0.00 0.00 0.00 137 E 7.93 3.70 0.00 2.03 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 2.46 2.38 0.00 138 K 8.48 3.99 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 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8.72 5.48 0.00 3.01 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 0.00 148 M 8.59 4.38 0.00 1.69 1.64 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 149 E 8.27 4.59 0.00 1.84 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 150 T 8.67 4.68 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 1.13 0.00 0.00 *154 A 8.60 4.17 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 0.00 155 N 8.37 4.29 0.00 2.85 2.93 0.00 0.00 6.78 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 0.00 156 I 7.32 4.41 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 0.86 0.00 0.00 157 N 8.13 5.19 0.00 2.85 2.90 0.00 0.00 5.82 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 0.00 158 V 8.51 3.62 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 1.26 0.00 0.00 0.95 0.00 0.00 159 E 8.26 4.16 0.00 2.18 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 2.76 2.56 0.00 160 N 8.42 4.35 0.00 2.94 2.86 0.00 0.00 6.94 7.26 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 0.00 161 A 7.85 3.95 1.15 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 0.00 0.00 0.00 162 F 8.34 4.00 0.00 3.39 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 0.00 163 F 8.70 4.01 0.00 3.32 3.15 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 0.00 164 T 8.14 3.87 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 1.22 0.00 0.00 165 L 8.25 3.88 0.00 1.62 1.80 0.87 0.99 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 0.00 166 A 8.55 4.08 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 0.00 167 R 8.56 3.86 0.00 2.07 2.24 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 168 D 8.25 4.35 0.00 2.93 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 0.00 169 I 7.66 3.52 0.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 -0.07 0.00 0.00 170 K 8.26 3.80 0.00 1.90 1.95 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 0.77 7.81 171 A 7.98 4.00 1.33 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 0.00 172 K 7.71 3.90 0.00 1.68 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.61 1.67 7.81 173 M 8.05 4.14 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.97 0.00 174 D 8.17 4.61 0.00 2.97 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 0.00 175 K 7.83 4.18 0.00 2.04 1.90 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 176 N 7.69 4.37 0.00 3.02 3.03 0.00 0.00 7.07 7.55 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 0.00 177 W 8.17 4.75 0.00 3.33 3.32 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 0.00 178 K 7.95 4.00 0.00 1.76 1.47 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.