NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4054 8.3049 118.1886 54.6387 32.7266 174.6664 2 T 3.6188 8.1489 115.8723 63.6183 69.1662 170.2633 3 E 4.9671 9.2887 126.7581 54.7298 32.8195 174.6268 4 Y 4.7152 8.7524 120.6593 56.2724 41.1928 175.1656 5 K 4.8207 9.2246 125.3312 55.4713 32.9178 175.5772 6 L 5.0334 8.6918 125.6957 52.7795 44.6527 176.0013 7 V 4.6233 8.1366 121.9329 61.0816 34.5108 174.1925 8 V 4.6188 8.7447 128.5470 61.7087 32.8823 175.0164 9 V 4.3172 10.0613 121.0611 58.8332 35.7559 175.0414 10 G 4.3722 8.0115 109.2276 43.8738 0.0000 172.3939 11 A 4.4388 8.0270 123.0947 50.8920 19.0893 175.3991 12 P 4.3403 0.0000 0.0000 64.2810 31.6494 177.3854 13 G 3.9900 8.9918 110.2639 45.9609 0.0000 174.7202 14 V 3.7396 7.3877 112.9303 62.3715 31.9340 177.0619 15 G 4.3043 8.5084 109.6028 45.6362 0.0000 175.9340 16 K 3.9056 8.6127 121.1445 59.4990 32.0090 179.1003 17 S 4.2604 8.0325 114.4482 61.4950 62.9461 176.3027 18 A 4.0499 8.0043 122.9993 55.2044 18.2357 179.5482 19 L 4.0325 8.1024 117.4253 58.2749 41.6818 179.9364 20 T 3.8213 7.7272 115.8119 66.6710 68.3457 177.0512 21 I 3.4559 8.0456 122.1656 64.0935 37.0719 178.4290 22 Q 4.0333 8.0297 119.0288 58.8525 28.3494 178.7480 23 L 3.7157 7.2720 119.2730 58.2183 42.1719 178.7175 24 I 3.9067 7.4026 118.1256 63.1782 37.3584 176.8077 25 Q 4.4744 8.0272 115.0175 54.6284 30.1202 174.8681 26 N 4.3192 7.9777 114.7250 53.6177 36.5766 173.4990 27 H 4.8691 7.6981 109.6597 54.4009 31.5606 172.4872 28 F 4.6402 8.6792 123.3147 57.1359 40.1745 175.5070 29 V 3.7830 7.6225 121.6243 59.8910 31.4299 175.5295 30 D 4.0766 8.1128 124.6036 54.8277 41.6352 175.6662 31 E 4.2642 7.3445 112.3368 57.5480 31.6054 175.3233 *38 D 4.4124 8.2988 113.7536 53.3020 43.3473 175.1161 39 S 5.2331 8.3384 116.8551 56.6771 66.1004 172.8773 40 Y 4.7912 9.1638 119.3485 56.2944 41.6918 174.5853 41 R 5.2050 8.7305 121.6292 54.3169 33.3057 174.9500 42 K 4.6245 8.9364 124.6960 54.7376 36.0309 175.0261 43 Q 4.7524 8.7867 126.5830 56.0290 29.5541 175.5721 44 V 4.6014 9.0041 116.4698 59.6422 36.9654 174.3063 45 V 4.7356 8.3027 120.8097 61.3510 33.6416 174.6707 46 I 4.0329 8.4268 128.9245 60.3932 39.1735 175.6101 47 D 4.4894 9.7736 126.8847 55.2912 38.3100 174.9553 48 G 3.9229 8.3217 106.4336 45.2269 0.0000 173.3963 49 E 4.2412 7.8976 121.8409 55.2424 30.2818 174.7879 50 T 4.6906 8.4385 122.0047 62.0430 68.0892 173.0620 51 C 4.8936 9.1682 122.6098 57.2279 34.0861 172.2325 52 L 5.0662 8.7406 121.8318 53.2336 44.1326 175.1350 53 L 4.5439 8.8291 127.4150 54.5165 43.0183 175.6024 54 D 5.2890 9.1997 125.5659 52.8216 42.6208 174.3429 55 I 5.0133 8.9819 127.7008 59.3366 39.9729 174.5568 56 L 4.8197 8.8995 129.7192 53.6557 43.6269 174.8120 57 D 5.0449 9.1888 128.6537 53.0528 41.0425 176.0381 58 T 4.2055 8.0009 116.0763 60.6498 69.9334 174.8103 59 A 4.2213 8.5160 125.7017 52.2439 19.0833 178.2638 60 G 3.8649 8.6114 109.0171 47.1259 0.0000 174.1082 61 Q 4.8496 7.9104 116.9680 54.2090 32.6362 174.3036 62 E 4.3591 8.4441 120.3479 57.8483 32.5429 177.3264 *63 E 3.7630 8.5470 112.1820 57.1415 27.9417 175.9574 *64 Y 4.1651 7.4733 115.5955 55.2792 37.7525 181.1747 65 S 4.1521 8.9052 117.7063 59.2612 63.5874 172.2947 66 A 4.4577 7.4931 121.0274 53.3173 19.5188 178.4475 67 M 3.8187 8.0095 116.0472 58.0290 32.4424 178.2825 68 R 3.1920 7.7443 117.8112 58.3524 30.4546 178.2469 69 D 4.2572 7.3345 118.5451 57.0768 39.3204 178.6662 70 Q 3.9336 7.8386 119.9874 59.2838 29.1322 177.4494 71 Y 4.5422 7.6271 117.5624 59.5576 38.3071 177.2085 72 M 4.6843 7.8333 120.0314 57.9943 32.0876 178.1962 73 R 4.0969 7.7877 118.5879 59.2135 30.3916 177.8923 74 T 4.4148 7.4186 107.5565 61.8055 69.8724 175.5852 75 G 3.5468 7.4932 111.1859 45.7006 0.0000 173.1566 76 E 4.4005 9.0320 122.7850 57.6208 30.8989 176.8003 77 G 4.3343 7.4645 104.3655 44.6190 0.0000 171.6858 78 F 5.3467 8.9769 119.5376 55.3309 42.9548 174.2412 79 L 4.6809 8.9763 124.2316 54.0136 42.9713 175.7603 80 C 4.7614 9.0353 123.7893 58.4788 29.1584 172.9353 81 V 4.8829 8.6738 125.5283 61.0237 33.4085 174.6810 82 F 5.1970 9.0212 121.6596 55.0458 42.0893 173.1866 83 A 5.2190 8.7057 120.8230 49.9829 20.9263 177.9712 84 I 4.0266 8.7159 115.8291 62.4924 37.9508 176.9507 85 N 4.8956 8.0826 117.6261 52.6252 37.4013 175.0304 86 N 4.8564 8.4413 117.6720 51.5919 40.7155 174.5340 87 T 3.9904 8.4135 124.9260 66.2727 68.7858 175.8946 88 K 3.9214 8.2402 121.3279 59.8035 31.9455 178.7250 89 S 4.3201 8.1676 112.5434 61.3565 63.2023 175.8410 90 F 4.1566 8.0687 124.3404 61.2370 39.0941 177.1529 91 E 3.7293 8.3941 118.0371 59.0812 29.0848 178.7525 92 D 4.3711 8.3281 118.4825 56.3884 40.7930 178.3567 93 I 3.9401 7.6087 121.2278 64.8018 37.0779 177.6181 94 H 4.1469 7.8210 118.4756 59.3329 29.7114 177.4069 95 Q 3.8849 7.9269 119.4163 59.0232 28.5662 178.1555 96 Y 4.1449 7.5601 117.9299 61.0272 37.8991 178.5341 97 R 3.7154 8.1816 119.7322 59.4836 30.1753 178.4644 98 E 3.8145 8.0232 118.3582 59.2721 29.3823 179.1645 99 Q 3.8936 7.9547 119.6782 59.0803 29.1043 178.2764 100 I 3.4795 7.6160 120.9405 64.1858 37.0811 178.6060 101 K 4.1075 7.9875 120.7744 58.6635 31.9653 179.3946 102 R 3.8198 7.9671 119.0115 59.6890 29.8427 179.0857 103 V 3.8039 7.6285 110.5541 63.5369 31.6791 177.7633 104 K 4.2863 7.9235 115.6383 55.2736 32.8515 176.0459 105 D 4.4349 7.6276 117.3513 54.7094 39.0839 173.8896 106 S 4.6933 7.7513 111.9192 57.4256 67.3903 175.6103 107 D 4.5015 8.6968 123.1687 55.3665 41.1285 176.1142 108 D 4.7742 7.9450 117.4899 51.3160 40.3630 174.8900 109 V 4.4134 8.0271 123.3969 59.7927 34.4781 173.3604 110 P 4.4366 0.0000 0.0000 63.6731 32.1309 174.8259 111 M 5.1734 8.3659 121.5316 54.6818 35.3694 173.6337 112 V 4.5365 8.5976 124.8270 60.9670 35.2198 173.8150 113 L 5.0016 8.9293 130.1037 54.3519 43.6282 175.1651 114 V 4.5607 9.0328 126.7789 61.1136 34.1933 174.5610 115 G 3.3158 8.4784 116.5361 44.7597 0.0000 172.4376 116 N 5.1709 8.5627 126.4256 51.4194 41.6702 174.5408 117 K 4.0612 8.4402 117.4463 57.7668 28.8447 177.5074 118 C 4.3879 7.9765 112.1067 59.1405 29.6386 173.9419 119 D 4.4501 7.7445 119.9316 55.2218 39.6967 176.7740 120 L 4.1578 7.6609 120.2070 54.5073 42.1569 176.8073 121 A 4.2506 8.4714 124.2323 53.5813 19.6440 178.1504 122 A 4.3939 7.7115 120.2655 50.6869 17.2722 175.8819 123 R 4.7033 7.7151 117.2875 54.3276 31.6273 177.5342 124 T 4.3955 8.9277 109.7316 61.2080 70.6620 174.1370 125 V 4.0863 7.5716 121.8613 60.8342 33.0377 175.4715 126 E 4.2156 8.5118 126.9512 55.9890 31.3481 178.1318 127 S 4.2191 8.6070 118.3752 61.9055 63.0028 177.1525 128 R 3.8545 7.8879 120.9035 59.1215 29.7800 178.1059 129 Q 3.8553 7.9021 118.7594 59.3125 29.0919 178.2165 130 A 3.9014 7.4139 121.1137 54.7404 18.2427 179.3489 131 Q 3.7529 7.9990 118.6255 59.5319 29.1346 178.3879 132 D 4.3238 8.0979 119.8735 56.9333 40.8459 178.4838 133 L 3.5679 7.6394 120.4473 58.0555 42.0282 178.9503 134 A 4.0347 7.9740 120.7083 55.0413 18.2973 179.5746 135 R 3.8474 7.8941 117.6323 59.6385 29.9702 178.9805 136 S 4.2011 7.6815 112.8326 61.2799 63.1089 175.4798 137 Y 4.6740 7.6699 119.1851 58.1325 37.8767 175.7309 138 G 3.9528 8.0309 107.6603 46.5606 0.0000 173.1375 139 I 4.8210 7.8548 111.4867 57.7601 40.9498 173.4659 140 P 4.5864 0.0000 0.0000 62.8507 32.6480 174.5048 141 Y 5.5008 8.6206 123.7283 56.0613 41.1559 174.8240 142 I 4.3146 8.2201 126.4087 59.4904 41.2299 174.1409 143 E 4.7724 8.3541 126.4798 55.4287 30.7868 175.5537 144 T 4.8585 8.6480 112.8708 60.0242 73.3308 172.8997 145 S 4.5422 8.8989 116.2876 56.5085 64.6866 174.6412 146 A 4.0430 8.5021 130.3786 54.7185 18.6083 178.6709 147 K 2.6865 7.7020 116.7101 58.9258 32.2135 177.7507 148 T 4.0634 7.3027 105.4918 60.9837 69.5286 175.4262 149 R 3.8249 8.1058 121.8742 56.3110 29.5776 174.9978 150 Q 3.9489 7.5636 118.7096 57.9343 29.2669 177.2761 151 G 3.9042 8.8826 113.1625 46.0574 0.0000 175.2224 152 V 3.5546 7.5470 119.5932 66.2354 31.5778 177.8333 153 E 3.5453 7.8997 117.8227 58.9002 29.1479 178.4116 154 D 4.2289 7.9660 117.5377 57.4117 41.3111 178.2511 155 A 3.8751 8.0252 120.9392 55.3159 18.4138 179.7109 156 F 4.1308 8.0134 116.3381 60.8436 38.9438 177.7503 157 Y 4.3199 8.6224 116.9530 61.4080 37.6751 178.3472 158 T 3.8862 8.3584 117.1018 66.5990 68.5557 176.2979 159 L 3.9454 7.8377 121.7036 58.1882 42.1374 179.2230 160 V 3.2897 7.7438 118.1438 65.9718 31.1440 178.2779 161 R 3.9364 7.9559 117.0684 59.0408 30.1345 178.5681 162 E 4.1561 8.2789 118.6646 59.4257 29.4985 179.3848 163 I 3.8049 7.8519 119.8540 64.5238 37.0034 178.7264 164 R 4.1554 8.0664 117.4179 58.4546 29.9406 178.0168 165 Q 4.4578 7.5333 115.3278 56.1138 29.4680 175.0253 166 H 4.3867 7.9703 124.8872 56.3229 29.9197 174.5555 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 4.41 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 2 T 8.15 3.62 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 0.55 0.00 0.00 3 E 9.29 4.97 0.00 1.72 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 4 Y 8.75 4.72 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.22 4.82 0.00 1.71 1.75 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 6 L 8.69 5.03 0.00 1.68 1.57 1.12 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.14 4.62 1.71 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 1.09 0.00 0.00 0.79 0.00 0.00 8 V 8.74 4.62 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 0.87 0.00 0.00 1.01 0.00 0.00 9 V 10.06 4.32 1.68 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 0.86 0.00 0.00 0.90 0.00 0.00 10 G 8.01 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 0.00 0.00 0.00 0.00 11 A 8.03 4.44 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 12 P 0.00 4.34 0.00 2.11 2.07 0.00 3.83 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 2.10 2.29 0.00 13 G 8.99 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 14 V 7.39 3.74 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 0.83 0.00 0.00 0.99 0.00 0.00 15 G 8.51 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 0.00 0.00 0.00 0.00 16 K 8.61 3.91 0.00 1.82 2.01 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.54 7.81 17 S 8.03 4.26 0.00 3.87 3.91 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 0.00 0.00 0.00 18 A 8.00 4.05 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 19 L 8.10 4.03 0.00 1.97 1.93 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.73 3.82 4.19 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 0.79 0.00 0.00 21 I 8.05 3.46 1.73 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 0.71 0.00 0.00 22 Q 8.03 4.03 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 23 L 7.27 3.72 0.00 1.27 1.38 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.40 3.91 1.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.89 0.00 0.00 25 Q 8.03 4.47 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 26 N 7.98 4.32 0.00 2.89 2.87 0.00 0.00 6.71 8.15 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 27 H 7.70 4.87 0.00 3.21 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.68 4.64 0.00 2.97 3.02 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 29 V 7.62 3.78 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 0.60 0.00 0.00 0.73 0.00 0.00 30 D 8.11 4.08 0.00 2.48 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.34 4.26 0.00 2.02 1.71 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 2.11 2.20 0.00 *38 D 8.30 4.41 0.00 2.69 2.40 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 39 S 8.34 5.23 0.00 3.77 3.73 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 Y 9.16 4.79 0.00 2.89 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 41 R 8.73 5.21 0.00 1.66 1.82 0.00 3.15 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 42 K 8.94 4.62 0.00 1.79 1.57 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 Q 8.79 4.75 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 44 V 9.00 4.60 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 0.70 0.00 0.00 0.91 0.00 0.00 45 V 8.30 4.74 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 0.81 0.00 0.00 0.92 0.00 0.00 46 I 8.43 4.03 1.61 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.28 0.43 0.00 0.00 47 D 9.77 4.49 0.00 2.72 2.67 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 48 G 8.32 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 49 E 7.90 4.24 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 2.32 2.27 0.00 50 T 8.44 4.69 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 51 C 9.17 4.89 0.00 3.27 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 52 L 8.74 5.07 0.00 1.76 1.54 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.83 4.54 0.00 1.88 1.63 1.01 0.61 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 54 D 9.20 5.29 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.98 5.01 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.09 0.00 0.00 56 L 8.90 4.82 0.00 1.69 1.43 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.19 5.04 0.00 2.83 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 58 T 8.00 4.21 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 0.50 0.00 0.00 59 A 8.52 4.22 1.37 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 68 R 7.74 3.19 0.00 1.68 1.59 0.00 3.41 0.00 0.00 3.62 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 69 D 7.33 4.26 0.00 2.69 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 70 Q 7.84 3.93 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 71 Y 7.63 4.54 0.00 3.20 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.83 4.68 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 73 R 7.79 4.10 0.00 2.05 2.16 0.00 3.26 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 74 T 7.42 4.41 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 1.25 0.00 0.00 75 G 7.49 3.55 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 0.00 0.00 0.00 76 E 9.03 4.40 0.00 1.95 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 2.31 2.26 0.00 77 G 7.46 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.98 5.35 0.00 3.05 2.97 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 79 L 8.98 4.68 0.00 1.44 1.45 0.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.04 4.76 0.00 3.00 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 81 V 8.67 4.88 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 0.92 0.00 0.00 0.91 0.00 0.00 82 F 9.02 5.20 0.00 3.21 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.71 5.22 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 84 I 8.72 4.03 1.91 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 1.31 0.75 0.89 0.00 0.00 85 N 8.08 4.90 0.00 2.93 2.99 0.00 0.00 5.76 8.04 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 86 N 8.44 4.86 0.00 2.83 2.94 0.00 0.00 7.22 6.73 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 87 T 8.41 3.99 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 1.30 0.00 0.00 88 K 8.24 3.92 0.00 1.84 1.89 0.00 2.09 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.50 7.81 89 S 8.17 4.32 0.00 4.28 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 0.00 90 F 8.07 4.16 0.00 2.71 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 91 E 8.39 3.73 0.00 2.17 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 2.21 2.46 0.00 92 D 8.33 4.37 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.39 7.81 118 C 7.98 4.39 0.00 3.04 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 0.00 119 D 7.74 4.45 0.00 2.72 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 0.00 120 L 7.66 4.16 0.00 1.73 1.63 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.47 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 0.00 122 A 7.71 4.39 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.72 4.70 0.00 2.05 1.93 0.00 2.99 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 124 T 8.93 4.40 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 125 V 7.57 4.09 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 -0.19 0.00 0.00 0.87 0.00 0.00 126 E 8.51 4.22 0.00 1.97 1.79 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 2.28 2.45 0.00 127 S 8.61 4.22 0.00 3.90 4.06 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 0.00 0.00 0.00 128 R 7.89 3.85 0.00 1.90 1.88 0.00 3.22 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 129 Q 7.90 3.86 0.00 2.08 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 130 A 7.41 3.90 0.58 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 0.00 0.00 131 Q 8.00 3.75 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 132 D 8.10 4.32 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.57 0.00 1.61 1.71 0.40 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.97 4.03 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.89 3.85 0.00 2.12 1.96 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 136 S 7.68 4.20 0.00 4.03 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 0.00 137 Y 7.67 4.67 0.00 3.18 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 0.00 138 G 8.03 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 0.00 139 I 7.85 4.82 2.17 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.98 1.07 0.00 0.00 140 P 0.00 4.59 0.00 2.15 2.05 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 141 Y 8.62 5.50 0.00 2.94 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 0.00 142 I 8.22 4.31 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.75 0.00 0.00 143 E 8.35 4.77 0.00 1.66 1.71 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 1.97 1.97 0.00 144 T 8.65 4.86 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 1.09 0.00 0.00 145 S 8.90 4.54 0.00 3.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.50 4.04 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 0.00 147 K 7.70 2.69 0.00 0.83 1.41 0.00 1.29 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.08 0.72 7.81 148 T 7.30 4.06 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 1.09 0.00 0.00 149 R 8.11 3.82 0.00 2.01 2.01 0.00 3.06 0.00 0.00 3.04 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 150 Q 7.56 3.95 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.36 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 151 G 8.88 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 0.00 0.00 0.00 152 V 7.55 3.55 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.92 0.00 0.00 153 E 7.90 3.55 0.00 1.70 1.12 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 2.09 2.16 0.00 154 D 7.97 4.23 0.00 2.61 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 0.00 155 A 8.03 3.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.01 4.13 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.62 4.32 0.00 2.97 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 0.00 158 T 8.36 3.89 4.40 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 1.23 0.00 0.00 159 L 7.84 3.95 0.00 1.84 1.86 0.97 0.63 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 0.00 160 V 7.74 3.29 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 0.21 0.00 0.00 0.74 0.00 0.00 161 R 7.96 3.94 0.00 1.98 1.97 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 162 E 8.28 4.16 0.00 2.21 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 2.56 2.53 0.00 163 I 7.85 3.80 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.10 1.10 0.00 0.00 164 R 8.07 4.16 0.00 1.96 2.05 0.00 3.22 0.00 0.00 3.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 165 Q 7.53 4.46 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 166 H 7.97 4.39 0.00 3.34 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.