NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4280 8.3044 120.6049 55.5444 33.9560 175.3916 2 R 3.7490 7.8609 119.1887 56.3741 31.5454 173.1236 3 K 4.7700 9.3488 125.9687 54.8553 35.0471 174.4936 4 I 4.6461 8.0668 126.4476 59.1569 40.1954 175.4821 5 G 4.1593 8.9853 114.5653 45.4781 0.0000 172.4668 6 I 4.9833 8.7272 123.2325 59.0776 40.7065 174.5116 7 I 4.4204 8.6669 126.7753 59.1716 40.5492 174.8345 8 G 4.7816 8.7894 116.8120 44.5575 0.0000 172.2157 9 G 3.8210 8.0934 109.1314 45.8240 0.0000 173.8071 10 T 3.9464 8.0372 110.2306 62.5348 69.1943 174.7092 11 F 3.7700 7.3759 119.7269 58.8716 36.9069 174.9282 12 D 5.1856 7.8010 115.9095 52.0151 41.0710 171.9147 13 P 5.0949 0.0000 0.0000 59.4478 33.9471 174.3636 14 P 4.7056 0.0000 0.0000 63.2675 31.9019 174.7808 15 H 4.7987 8.2664 113.6650 53.6102 31.3946 173.7563 16 Y 4.5536 8.9182 116.8845 60.7517 37.3770 179.0695 17 G 3.6959 8.1989 106.8342 48.0746 0.0000 175.2209 18 H 4.3748 7.9311 118.7770 58.7722 28.7691 177.9664 19 L 4.2536 8.1820 120.2370 57.6342 41.4694 179.1573 20 L 4.1343 8.7115 120.7474 58.3139 42.0944 178.9622 21 I 3.7353 8.0079 119.3621 64.4802 37.1419 177.9559 22 A 3.8533 8.2522 121.7308 55.4123 18.0504 179.2706 23 N 4.6469 8.7132 115.3224 57.0042 39.1160 176.8391 24 E 4.0784 8.5825 120.2324 59.6793 29.6036 179.6994 25 V 3.6636 8.1331 118.2332 65.9177 31.5918 177.1649 26 Y 4.1664 8.2436 119.4136 61.3101 38.3230 178.1774 27 H 4.0420 8.4412 116.5455 58.5080 28.7197 177.5654 28 A 3.9878 8.2848 122.9482 54.9649 18.2305 178.2457 29 L 4.3315 7.8970 112.0294 53.6916 42.5079 175.9142 30 N 3.8645 7.3058 116.1561 54.4703 37.4594 173.7224 31 L 4.2019 7.4121 117.0278 54.8276 42.8555 177.5109 32 E 4.5056 8.7817 119.7803 58.1674 30.5308 176.2709 33 E 5.0952 7.9253 116.8589 55.3327 34.6238 174.0580 34 V 4.7772 9.1144 121.3105 61.0402 34.6520 174.1061 35 W 5.5264 9.3410 128.4036 55.2147 31.4841 175.1159 36 F 4.5881 9.8153 124.6789 56.8248 40.0469 174.5920 37 L 5.2788 9.1109 126.8497 51.3602 43.0345 172.8300 38 P 5.2398 0.0000 0.0000 62.7660 31.9138 175.6805 39 N 5.2204 8.7069 121.6171 51.3352 40.2788 175.1227 40 Q 4.2887 8.5377 120.8285 56.0936 30.8679 174.0725 41 I 4.2559 7.9652 123.7384 61.2633 35.6061 179.1321 *50 I 3.9816 8.5029 127.5113 61.9011 37.9453 175.2769 51 T 4.0091 8.4473 121.6615 63.2665 69.1857 175.1202 52 S 4.3349 8.3969 120.2177 58.1119 65.1283 175.5621 53 V 3.5637 8.3218 122.7769 66.3253 31.2291 177.8608 54 E 3.9104 8.1991 118.4338 59.5491 29.4133 178.9668 55 S 4.3850 8.2523 116.5298 61.0609 62.8560 176.8556 56 R 3.9303 7.9963 120.8182 59.3014 29.8456 179.1664 57 L 3.8722 8.2475 119.1473 57.6091 41.5323 179.4253 58 Q 3.7896 7.6359 119.4090 59.2590 28.9134 178.0996 59 M 3.6435 7.6723 119.7611 58.0099 31.8940 178.4395 60 L 3.6725 7.9674 120.8730 57.8502 42.1527 178.6879 61 E 3.7411 7.9539 119.1994 59.2616 29.3907 178.7867 62 L 3.8960 7.4181 117.3696 57.7678 41.7237 179.1060 63 A 4.0351 8.1363 120.3976 54.2883 18.5958 178.6824 64 T 4.4327 7.3190 105.7283 61.3634 69.5079 175.9576 65 E 3.8440 8.0117 119.9750 59.1446 29.4310 177.7204 66 A 4.2891 7.8309 119.9536 52.0088 19.4107 176.4904 67 E 4.3409 8.0285 114.6898 54.0067 31.1217 176.3214 68 E 3.8204 8.7919 124.4612 59.3791 29.7156 177.8119 69 H 4.7948 7.7270 113.6350 56.0505 30.2409 174.7433 70 F 5.5917 8.1228 118.6702 57.1060 39.7634 175.4333 71 S 4.8236 9.6825 118.7629 56.9773 67.8192 172.6930 72 I 4.6701 8.1306 121.9788 60.0275 38.7073 174.6943 73 C 4.4880 9.2204 127.7620 57.5411 33.3606 173.9295 74 L 4.5940 8.4000 124.7782 54.4582 41.6347 177.5720 75 E 3.9814 8.4035 121.8518 59.5598 29.5234 179.0813 76 E 4.0808 8.2002 117.3965 59.2036 29.7473 178.4149 77 L 4.2917 7.5485 116.4001 55.9127 41.7263 177.9768 78 S 4.1134 7.5150 112.7794 60.1833 63.5143 174.5574 *83 S 3.9624 7.8333 115.9587 58.4931 63.4137 173.2168 84 Y 4.9497 7.7554 122.4802 56.8063 40.6533 176.9536 85 T 3.8998 8.4651 119.1945 66.9517 68.5271 176.0984 86 Y 4.1650 8.3524 120.9201 60.9646 38.8053 177.8227 87 D 4.2799 8.4434 118.9953 57.7476 41.0046 178.7843 88 T 3.8456 7.8290 115.9295 67.1532 68.4418 176.7244 89 M 3.9087 8.2645 120.7111 57.8163 31.8776 178.6089 90 L 3.7237 7.8226 121.0371 58.2001 42.2476 179.0441 91 Q 3.9815 7.9262 117.8452 59.0445 28.6786 178.9668 92 L 4.2536 8.0472 120.2368 58.0117 41.1159 179.6778 93 T 4.2676 8.2254 109.8860 64.4765 68.3283 176.8945 94 K 3.9957 7.6198 120.4811 59.5199 32.3456 179.3672 95 K 4.0049 7.9266 116.8444 58.1536 33.2741 177.2704 96 Y 4.9623 8.0428 116.5242 55.6512 38.6265 173.9735 97 P 4.5483 0.0000 0.0000 64.3101 32.3729 176.9622 98 D 5.0606 7.9151 118.0127 54.0725 40.3914 176.9824 99 V 4.2288 7.4776 117.5798 60.9977 34.7524 174.8841 100 Q 4.2531 9.1979 130.3191 54.8620 29.8824 174.3362 101 F 4.7157 8.5615 126.2244 57.3625 40.9484 174.6694 102 H 5.0913 9.5138 121.1571 54.0352 30.7508 173.2701 103 F 4.5174 9.0723 128.1757 57.3296 40.1892 174.3770 104 I 4.9081 7.8624 128.5899 60.4744 37.8880 175.6344 105 I 4.8821 9.3665 120.1786 58.6666 41.5642 175.3962 106 G 4.0024 8.8157 112.0945 45.2598 0.0000 175.0524 107 G 3.6444 8.6172 108.6317 47.7436 0.0000 175.9835 108 D 4.4227 8.0190 119.4489 56.9031 41.0710 177.6708 109 M 4.4539 8.1574 118.7856 57.8339 32.1700 178.1015 110 V 3.3545 7.4223 118.3863 65.8808 31.3883 177.5139 111 E 3.7337 7.8736 117.7640 58.5041 29.7655 176.5663 112 Y 4.9145 7.7033 115.1084 57.6646 38.6294 177.3560 113 L 3.0303 7.6379 122.8028 57.1086 41.6777 177.7851 114 P 4.6068 0.0000 0.0000 64.3547 31.3069 177.1165 115 K 4.3921 7.8614 115.8246 56.6523 32.5978 177.2636 116 W 4.3588 8.3670 120.7460 55.9659 29.6295 175.0825 117 Y 3.9660 8.5219 122.8941 59.1994 38.4986 175.4754 118 N 3.6696 8.2961 125.1715 53.9155 37.6451 175.5733 119 I 3.6373 7.3143 118.3211 64.1386 37.6858 176.4608 120 E 3.9289 7.8865 117.6870 58.9084 29.6061 178.4544 121 A 4.1483 7.6715 120.5020 54.6440 18.6390 179.1943 122 L 4.1490 8.0828 119.1306 58.3281 41.9426 179.1905 123 L 4.0861 7.7628 118.0393 57.4098 41.6860 177.8931 124 D 4.5819 7.6467 116.8693 55.6545 41.2152 177.3913 125 L 4.3512 7.6802 118.5027 56.1983 42.2523 176.8884 126 V 4.6746 7.2139 108.8346 59.8306 36.1612 175.1624 127 T 4.4317 8.4089 119.2546 61.9271 70.1587 174.5724 128 F 4.8571 8.7247 125.7940 57.4210 40.7925 174.5996 129 V 4.7901 9.3601 123.0105 61.2232 34.1836 174.3044 130 G 4.3035 9.3881 116.3074 44.9201 0.0000 172.3871 131 V 4.7376 8.8023 125.1773 61.8539 32.6367 174.5887 132 A 5.0324 8.6935 130.1880 49.9228 21.9876 176.1548 133 R 4.5210 8.3506 118.6450 55.3654 31.6703 174.7942 134 P 4.6362 0.0000 0.0000 64.5128 31.6574 177.1063 135 G 3.9458 9.1342 112.1478 45.2878 0.0000 172.7592 136 Y 4.5185 7.6704 117.0347 56.3085 39.5630 175.0275 137 K 4.6178 8.4119 122.2972 54.6138 34.0928 176.1715 138 L 4.2795 8.4046 123.5184 54.2195 42.4934 176.3741 139 R 4.4516 8.2262 122.3726 55.0498 31.2424 175.7142 140 T 4.3179 7.7802 114.7631 60.5302 70.0210 171.5714 141 P 4.1875 0.0000 0.0000 65.0065 31.7583 176.6518 142 Y 4.5919 7.1640 115.5062 56.1705 38.8544 173.4515 143 P 4.7981 0.0000 0.0000 62.1469 30.2633 175.2306 144 I 4.7498 7.8775 117.8485 59.6375 40.9425 174.9636 145 T 4.5537 8.7089 119.8035 62.9977 70.2738 173.9472 146 T 5.1009 8.4730 121.3823 61.7955 71.1911 173.7697 147 V 4.4503 8.6172 125.3865 61.0828 34.6648 173.9610 148 E 4.9730 8.8891 127.4957 55.7767 30.3632 175.8891 149 I 4.7516 8.6918 125.2494 58.5947 41.0188 173.8815 150 P 4.3048 0.0000 0.0000 62.3976 31.8168 175.9062 151 E 4.0408 8.7426 123.5828 56.2940 29.9973 176.2314 152 F 5.0374 8.6068 127.4939 56.4141 40.0788 174.4106 153 A 4.3985 8.5797 135.0000 51.8803 18.4143 177.7880 154 V 4.0919 7.1257 119.5551 61.7753 33.4976 175.8569 155 S 4.5336 7.7567 115.1248 55.8515 67.1180 175.1921 156 S 4.1194 8.7208 119.2993 62.0574 62.6057 177.3090 157 S 4.0338 7.9504 116.2342 61.2306 62.7842 175.9988 158 L 3.8843 7.6727 123.7622 57.8970 41.7364 179.0153 159 L 3.9181 7.8157 118.8628 57.8081 41.5464 179.6480 160 R 3.5460 8.0245 118.2217 59.0456 30.0843 178.6686 161 E 3.9128 8.2413 119.0347 59.5311 29.6599 179.2058 162 R 3.9331 8.0843 118.0223 59.3789 30.1077 178.6605 163 Y 4.1749 8.3217 117.0665 60.8815 37.6103 178.5133 164 K 4.3880 7.9767 121.3025 58.6448 32.3743 177.7713 165 E 4.3685 7.8181 115.8077 54.9575 29.9790 176.2724 166 K 3.8421 7.6946 117.2360 57.4544 30.3327 174.8624 167 K 4.5219 8.0132 117.8871 54.2839 34.3711 175.4846 168 T 3.9011 8.2643 118.0632 62.8621 67.9266 173.4726 169 C 4.7454 8.2930 123.1911 58.9670 29.5055 173.5730 170 K 4.0085 7.4945 121.8376 58.2657 31.8916 176.8123 171 Y 4.1673 8.6508 122.3885 58.2315 36.1628 169.8482 172 L 4.6472 8.2353 119.8271 56.0162 42.5281 176.3820 173 L 4.9105 7.6302 115.6908 52.0241 43.8308 174.5368 174 P 4.4902 0.0000 0.0000 61.7707 33.1502 177.4174 175 E 4.0290 8.8782 120.8955 59.8593 29.4308 180.0621 176 K 4.2376 8.1194 117.5460 59.1146 31.9369 179.3447 177 V 3.6931 7.5756 118.3154 65.6365 31.5680 177.7784 178 Q 4.2024 8.1371 119.1521 58.4330 28.6392 178.9992 179 V 3.5854 8.2889 119.4904 66.1843 31.4395 177.1815 180 Y 3.9262 7.7678 119.2484 60.8548 38.5936 178.2630 181 I 3.6157 8.1095 120.7027 64.5164 36.6982 178.3933 182 E 3.9553 8.3913 119.5800 59.3898 29.1802 179.3126 183 R 4.0530 8.3837 116.2185 57.7649 30.2043 177.4100 184 N 4.7359 7.4312 114.4044 51.3396 40.4640 174.3459 185 G 3.7398 7.4862 107.2157 46.4098 0.0000 174.2370 186 L 3.7320 7.4322 118.4805 54.9989 42.4614 177.3331 187 Y 4.1281 7.9562 117.3766 58.8322 37.8810 170.0122 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.43 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 R 7.86 3.75 0.00 1.97 1.85 0.00 3.18 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 3 K 9.35 4.77 0.00 1.60 1.51 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.54 1.58 7.81 4 I 8.07 4.65 0.97 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.14 -0.39 0.00 0.00 5 G 8.99 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 0.00 0.00 0.00 0.00 6 I 8.73 4.98 1.66 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 1.22 1.24 0.83 0.00 0.00 7 I 8.67 4.42 1.59 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 1.19 1.60 0.09 0.00 0.00 8 G 8.79 4.78 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 0.00 0.00 0.00 9 G 8.09 3.82 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 0.00 0.00 0.00 10 T 8.04 3.95 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 1.17 0.00 0.00 11 F 7.38 3.77 0.00 3.33 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 12 D 7.80 5.19 0.00 2.73 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 13 P 0.00 5.09 0.00 2.32 2.27 0.00 3.47 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 14 P 0.00 4.71 0.00 2.17 2.14 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 15 H 8.27 4.80 0.00 3.48 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.92 4.55 0.00 3.47 3.35 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 0.00 17 G 8.20 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 18 H 7.93 4.37 0.00 3.51 3.83 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.18 4.25 0.00 2.19 2.08 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.71 4.13 0.00 2.07 2.12 1.08 1.09 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 21 I 8.01 3.74 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.51 0.93 0.00 0.00 22 A 8.25 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.71 4.65 0.00 3.21 3.20 0.00 0.00 7.26 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.58 4.08 0.00 2.25 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 2.65 2.57 0.00 25 V 8.13 3.66 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 1.00 0.00 0.00 1.00 0.00 0.00 26 Y 8.24 4.17 0.00 3.23 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 27 H 8.44 4.04 0.00 3.31 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.28 3.99 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 29 L 7.90 4.33 0.00 1.54 1.61 0.94 0.93 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 30 N 7.31 3.86 0.00 2.68 2.72 0.00 0.00 7.14 7.51 0.00 0.00 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 L 7.41 4.20 0.00 1.79 1.82 0.94 0.53 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 32 E 8.78 4.51 0.00 1.79 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 2.24 2.40 0.00 33 E 7.93 5.10 0.00 1.91 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 2.52 2.45 0.00 34 V 9.11 4.78 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 0.58 0.00 0.00 1.08 0.00 0.00 35 W 9.34 5.53 0.00 3.22 2.98 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 36 F 9.82 4.59 0.00 2.61 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 0.00 0.00 0.00 0.00 37 L 9.11 5.28 0.00 1.83 1.66 1.10 0.98 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 38 P 0.00 5.24 0.00 2.06 2.14 0.00 3.99 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 39 N 8.71 5.22 0.00 2.62 2.74 0.00 0.00 7.00 7.31 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 40 Q 8.54 4.29 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 41 I 7.97 4.26 1.88 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 1.42 0.53 0.92 0.00 0.00 *50 I 8.50 3.98 1.88 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 1.44 0.49 0.93 0.00 0.00 51 T 8.45 4.01 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 1.21 0.00 0.00 52 S 8.40 4.33 0.00 4.04 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 53 V 8.32 3.56 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 1.10 0.00 0.00 0.94 0.00 0.00 54 E 8.20 3.91 0.00 2.07 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 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0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 134 P 0.00 4.64 0.00 2.08 2.04 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 135 G 9.13 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 0.00 136 Y 7.67 4.52 0.00 3.16 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 0.00 137 K 8.41 4.62 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.44 7.81 138 L 8.40 4.28 0.00 1.64 1.58 0.94 0.90 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 0.00 139 R 8.23 4.45 0.00 1.74 1.81 0.00 3.39 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 140 T 7.78 4.32 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 1.26 0.00 0.00 141 P 0.00 4.19 0.00 1.25 1.76 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 142 Y 7.16 4.59 0.00 3.05 2.76 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 0.00 0.00 0.00 0.00 143 P 0.00 4.80 0.00 2.22 2.15 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 144 I 7.88 4.75 2.11 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 1.37 0.78 0.97 0.00 0.00 145 T 8.71 4.55 4.31 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 1.25 0.00 0.00 146 T 8.47 5.10 4.27 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 1.25 0.00 0.00 147 V 8.62 4.45 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 1.03 0.00 0.00 0.97 0.00 0.00 148 E 8.89 4.97 0.00 1.93 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 2.33 2.37 0.00 149 I 8.69 4.75 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 1.00 0.00 0.00 150 P 0.00 4.30 0.00 2.04 1.99 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 151 E 8.74 4.04 0.00 1.96 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 2.37 2.35 0.00 152 F 8.61 5.04 0.00 2.91 2.90 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 0.00 153 A 8.58 4.40 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 0.00 154 V 7.13 4.09 1.58 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 -0.33 0.00 0.00 0.55 0.00 0.00 155 S 7.76 4.53 0.00 3.96 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 0.00 156 S 8.72 4.12 0.00 3.86 4.07 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 0.00 157 S 7.95 4.03 0.00 4.01 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 0.00 158 L 7.67 3.88 0.00 1.69 1.80 0.89 1.03 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 0.00 159 L 7.82 3.92 0.00 1.88 1.77 0.94 0.94 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 R 8.02 3.55 0.00 1.85 1.85 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.50 0.00 161 E 8.24 3.91 0.00 2.02 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 2.29 2.41 0.00 162 R 8.08 3.93 0.00 1.86 1.80 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 163 Y 8.32 4.17 0.00 3.36 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 0.00 164 K 7.98 4.39 0.00 1.97 2.05 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.40 7.81 165 E 7.82 4.37 0.00 2.02 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 2.54 0.00 166 K 7.69 3.84 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.39 7.81 167 K 8.01 4.52 0.00 1.62 1.72 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 168 T 8.26 3.90 4.23 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 1.22 0.00 0.00 169 C 8.29 4.75 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.49 4.01 0.00 1.52 1.58 0.00 1.65 0.00 0.00 1.44 0.00 0.00 2.33 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.99 7.81 171 Y 8.65 4.17 0.00 3.29 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 0.00 172 L 8.24 4.65 0.00 1.91 1.71 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.63 4.91 0.00 1.73 1.62 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.49 0.00 2.04 1.90 0.00 3.61 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.18 0.00 175 E 8.88 4.03 0.00 2.06 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 2.45 2.50 0.00 176 K 8.12 4.24 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.52 7.81 177 V 7.58 3.69 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 1.19 0.00 0.00 0.88 0.00 0.00 178 Q 8.14 4.20 0.00 2.40 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 179 V 8.29 3.59 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 1.01 0.00 0.00 0.96 0.00 0.00 180 Y 7.77 3.93 0.00 3.17 3.09 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 0.00 181 I 8.11 3.62 1.85 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 1.54 0.87 0.20 0.00 0.00 182 E 8.39 3.96 0.00 2.00 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 2.43 2.43 0.00 183 R 8.38 4.05 0.00 1.63 1.86 0.00 3.22 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 184 N 7.43 4.74 0.00 2.25 2.49 0.00 0.00 6.97 7.72 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 0.00 185 G 7.49 3.74 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 0.00 0.00 0.00 186 L 7.43 3.73 0.00 0.96 0.20 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 7.96 4.13 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 * Residues marked with a * may have inaccurate shift predictions.