NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.6143 8.1693 120.6331 55.0202 44.5346 174.5409 3 T 4.6038 9.2642 109.3193 60.7801 69.1672 173.7731 *5 K 4.2714 9.8887 123.8701 55.9505 36.2907 178.2668 6 D 4.4422 8.0275 119.3883 55.6101 41.3914 175.8447 7 I 4.4502 7.4571 120.1882 60.3528 37.2477 176.0455 8 I 4.0337 8.3976 121.8951 60.8982 38.5488 175.7214 9 R 4.9054 8.3413 122.0540 53.9553 33.6143 174.5788 10 D 4.4817 9.0816 120.5865 55.9023 40.7942 176.0601 11 G 3.9412 9.3118 115.3631 46.2961 0.0000 173.6912 12 H 4.2858 8.5831 121.7126 54.8990 30.5424 174.0459 13 P 4.2973 0.0000 0.0000 66.7018 30.6414 178.6569 14 T 4.2368 8.1156 115.9026 65.7170 68.3865 176.0087 15 L 4.1729 8.1281 120.2961 56.3648 41.4092 178.3125 16 R 4.4062 7.6491 116.1852 55.9038 30.4886 175.7657 17 Q 4.4555 7.6255 118.7748 54.7099 31.3706 174.4100 18 K 4.7489 8.3232 121.5206 54.7555 32.8320 175.9087 19 A 4.4132 9.1339 130.1661 51.7309 19.2364 176.6337 20 A 4.3899 8.6640 122.6104 51.0244 20.2669 177.1706 21 E 4.4250 8.7506 120.5503 56.6443 30.3124 176.8054 22 L 4.3992 9.3733 123.8326 53.7444 42.9438 176.0534 23 E 4.4417 8.5313 123.1892 54.9519 30.8264 175.1815 24 L 4.7199 8.1410 125.4286 52.2116 43.7503 174.7440 25 P 4.5238 0.0000 0.0000 62.1557 32.2132 176.2343 26 L 4.2899 8.1213 119.5605 54.7219 42.3877 177.7854 27 T 4.2596 8.8433 112.8079 60.8652 71.0102 175.7865 28 K 3.8611 8.4726 121.5385 59.7126 32.1323 178.1556 29 E 3.9212 8.1287 118.9613 59.4206 29.5994 178.4897 30 E 3.9884 8.1950 118.6054 59.2428 29.4020 179.5536 31 K 3.9921 8.1043 118.6104 59.5814 32.1557 179.2910 32 E 3.9668 8.3720 118.8741 59.5478 29.0649 179.7013 33 T 3.8435 7.7413 115.1423 66.5865 68.6559 176.2047 34 L 4.1060 7.8192 120.8688 58.2483 42.3183 178.7582 35 I 3.9288 8.1210 119.8107 63.9568 36.9731 178.7121 36 A 4.3667 7.9756 121.1491 52.2097 18.2234 179.4103 *38 R 4.1828 7.9989 122.9739 57.9467 32.0894 177.0400 39 E 3.9340 8.4122 118.2020 59.1700 29.4079 178.5843 40 F 4.0757 8.5075 120.8615 61.2723 39.6045 177.1174 41 L 3.9116 7.9673 118.1253 57.6080 41.2480 179.3349 42 V 3.5465 7.6927 117.1978 66.2949 31.8203 177.5049 43 N 4.4359 8.3945 116.6623 56.3106 37.9602 177.6124 44 S 3.9870 8.1682 115.8577 60.8165 62.7602 175.6117 45 Q 4.4580 7.5251 118.9199 54.9776 29.1646 174.8092 46 D 4.6285 7.4660 121.6146 52.6214 41.8797 175.9778 47 E 3.8721 9.0524 128.0297 59.5713 29.4903 178.2949 48 E 3.8402 8.1550 118.2677 59.4620 29.8757 178.6431 49 I 3.7473 8.1751 119.5370 64.3577 37.1952 178.2957 50 A 4.0351 8.5524 121.9436 55.0449 18.1279 179.9209 51 K 3.8623 8.0235 116.9615 59.6657 31.9647 179.5332 52 R 3.7417 7.7687 117.5427 58.7285 29.8841 177.1938 53 Y 4.7550 7.6018 113.3732 56.2655 39.0714 175.7888 54 G 4.0372 7.6420 107.0114 46.4804 0.0000 174.1104 55 L 4.4782 8.2410 117.5052 53.1954 43.2222 176.9637 56 R 4.3101 8.3681 122.8497 54.7674 30.8500 176.1039 57 S 4.1999 8.0186 119.8544 58.1694 62.9609 173.0636 58 G 4.1944 8.0392 114.3758 45.2011 0.0000 173.1806 59 V 4.4953 7.7287 110.5048 60.0586 33.4368 175.5691 60 G 4.3847 7.7880 106.1927 44.9304 0.0000 172.2311 61 L 4.9812 8.9588 122.4180 53.4559 46.1437 174.1329 62 A 4.9827 8.9744 126.5756 49.8233 21.7994 176.8988 63 A 3.8735 8.8948 124.0595 55.0341 18.7479 178.3929 64 P 4.2894 0.0000 0.0000 65.6928 31.6669 178.4964 65 Q 4.0760 8.3502 117.3698 57.6213 28.6686 177.2564 66 I 4.8897 7.3261 110.7845 59.3643 37.8040 174.7164 67 N 3.9885 7.8965 116.2908 55.8239 37.4692 174.3611 68 I 4.3256 7.5945 117.1958 59.2764 39.4457 176.6545 69 S 4.5710 8.2978 125.0196 57.3812 60.0671 172.8255 70 K 4.9310 7.5029 119.5135 54.3758 36.8482 177.6980 71 R 4.1909 8.7120 123.1338 55.7610 30.6818 175.9380 *73 I 4.3833 8.2398 117.0835 60.6794 39.2113 174.7344 74 A 4.9766 8.8582 124.2286 50.2149 22.2834 175.2428 75 V 4.5018 9.2066 121.8736 61.0797 34.8329 174.3816 76 L 5.0410 9.3912 129.4075 53.4573 43.7677 173.0611 77 I 4.7232 9.3205 125.6075 58.3737 38.9778 173.6723 78 P 4.7681 0.0000 0.0000 62.1160 32.5440 175.6014 79 D 4.6869 8.7100 119.5983 54.1713 42.0809 175.9383 80 D 4.7302 8.9160 124.7720 54.3000 41.2873 177.8975 81 G 4.0771 8.9534 108.5273 45.3313 0.0000 175.3133 82 S 4.2879 7.6671 111.9764 58.6662 63.4527 175.3354 83 G 4.0428 8.5247 109.6394 44.9875 0.0000 173.2641 84 K 4.4689 7.5339 119.3468 55.3888 33.4322 176.1482 85 S 4.9500 8.1386 118.1710 56.8915 66.8715 172.9859 86 Y 4.7170 9.3133 118.4159 56.6377 41.1915 174.1257 87 D 5.2218 8.6457 124.2695 52.7179 42.7536 173.6533 88 Y 4.8127 8.9551 123.9582 56.3115 42.5566 173.7744 *90 L 4.5718 8.4339 118.4203 55.5074 43.2509 176.5948 91 V 4.3885 8.6479 122.6005 61.5341 33.9856 175.4533 92 N 4.3403 9.1303 126.1709 53.6161 36.6276 172.9555 93 P 4.6812 0.0000 0.0000 63.0601 32.7243 176.4710 94 K 4.6030 8.8228 122.9729 55.0090 36.1222 174.8761 95 I 4.3571 8.4755 128.4315 61.4231 36.9165 176.1933 96 V 4.0445 8.7427 121.8409 62.7598 32.5122 176.2486 97 S 4.7691 7.4905 112.4269 57.8924 65.9774 172.9824 98 H 5.1896 8.0063 114.9028 54.6099 30.7491 173.3752 99 S 4.3504 8.8677 115.1498 58.3195 63.3285 174.6515 100 V 3.8204 8.3711 120.6557 65.5613 31.9554 176.6691 101 Q 4.1894 7.9920 120.9720 56.3789 30.2911 175.7518 102 E 5.2565 8.8378 124.7086 55.5125 32.6134 174.1994 103 A 5.3655 9.2132 121.5870 51.3460 23.2908 174.7348 104 Y 4.9987 8.2166 115.5839 55.9597 41.9870 173.9751 105 L 4.5540 8.5936 121.8591 53.2820 42.7209 176.3166 106 P 4.5013 0.0000 0.0000 65.5737 31.1286 177.0122 107 T 4.3711 8.0683 106.2447 60.8965 69.5915 175.9153 108 G 3.8814 8.3580 109.3305 45.0354 0.0000 172.0355 109 E 4.5928 8.3690 118.8157 54.5360 33.5901 174.1010 110 G 3.9457 7.6130 107.5409 44.3946 0.0000 171.3929 111 C 4.7274 8.0223 116.9610 57.9258 34.3572 174.8149 112 L 4.1641 8.6472 126.3293 57.5935 41.5575 178.1396 113 S 4.4737 8.1488 113.1236 58.9080 63.1977 173.4439 114 V 4.5210 7.6067 120.5848 60.7049 31.9221 174.3769 115 D 4.5912 8.9773 127.5406 57.0272 40.9020 177.3434 116 D 4.9653 7.7163 116.2487 52.3136 42.7397 176.1713 117 N 4.6356 8.5339 119.4679 53.3565 39.2584 174.8548 118 V 4.3822 8.2881 119.7304 60.9748 34.1992 175.1770 119 A 4.3469 8.7143 130.0517 51.8216 19.4175 175.0567 120 G 3.9505 8.4068 105.2397 43.3957 0.0000 173.6640 121 L 4.1393 8.6175 124.8338 54.1094 42.2995 177.1051 122 V 4.3320 8.1102 122.3460 61.4407 32.9739 174.1772 123 H 4.8611 8.7003 125.4530 55.5737 29.8049 175.0414 124 R 4.6600 8.9474 121.1636 54.4305 35.1332 173.8241 125 H 4.6460 8.6903 117.4040 56.1325 28.7398 176.1397 126 N 4.5553 9.3427 122.1190 55.8970 40.1528 174.8668 127 K 5.2756 8.5210 117.5444 54.5064 36.1092 175.7412 128 I 5.1165 8.6595 116.2064 59.7548 41.8381 173.8312 129 T 4.9437 8.8492 119.6890 61.9532 71.5215 173.0869 130 I 4.9581 8.7585 127.5128 59.3403 40.5793 174.7750 131 K 5.0837 8.6461 124.4686 54.9410 35.5269 175.2551 132 A 4.6764 8.7617 124.3836 51.6035 23.3856 174.7296 133 K 5.0849 8.8896 117.3861 55.0351 35.7485 176.6938 134 D 4.9498 8.7638 123.0021 51.9766 41.8490 176.7806 135 I 3.6047 8.5734 117.5202 63.9617 37.8689 176.2802 136 E 4.3550 8.4615 117.1620 55.9156 29.5015 176.7031 137 G 3.9268 8.4294 107.5971 45.4752 0.0000 173.8372 138 N 4.7066 8.3485 117.5643 52.4965 39.5833 173.6541 139 D 5.2047 8.3277 119.6505 53.9946 42.1553 176.2969 140 I 4.7005 8.7877 122.9297 59.5407 41.3771 174.1965 141 Q 4.8222 8.7109 126.6102 54.4575 31.5798 173.9039 142 L 4.6878 8.9426 126.8653 52.9097 44.8718 175.9018 143 R 4.9249 8.4782 121.1861 54.6716 32.0968 175.0939 144 L 4.8894 8.7290 124.1672 52.8135 45.4211 175.7612 145 K 4.9449 8.1983 121.0225 55.1802 35.4078 177.5342 146 G 3.6761 9.1590 114.0274 46.6460 0.0000 175.0124 147 Y 4.1717 8.9254 121.9192 60.5586 38.4736 176.4732 148 P 3.8566 0.0000 0.0000 65.6890 31.2306 178.0750 149 A 3.9502 7.7926 120.0196 54.9454 18.3452 179.5343 150 I 3.6207 7.7920 118.5363 64.3455 37.1844 178.7915 151 V 3.3571 7.5652 119.1329 66.0710 31.2405 178.1623 152 F 3.9558 8.3131 117.4367 60.5671 38.6099 177.7603 153 Q 4.0220 8.1887 117.7612 58.9867 28.2338 178.1694 154 H 4.0538 8.0810 118.5429 59.3717 30.1401 176.9447 155 E 4.2109 8.2762 120.3501 59.5185 29.2783 179.4263 156 I 3.8598 8.1716 120.2411 64.3557 37.0687 177.9811 157 D 4.3652 8.3308 120.0196 57.9509 40.6904 178.6361 158 H 4.1424 7.8526 116.4941 58.9329 28.6699 177.5966 159 L 4.2245 8.2099 120.0875 56.4860 41.1709 178.0141 160 N 4.7462 7.7587 114.3592 52.4693 38.9459 174.6355 161 G 4.1892 7.7948 105.3774 45.8665 0.0000 173.9094 162 V 4.2693 7.4957 120.2519 60.3810 34.4323 174.6591 *164 F 4.8575 8.3872 113.6223 56.9556 39.3370 176.3168 165 Y 4.1007 5.8746 117.4244 58.2392 38.0476 177.1707 166 D 4.3173 7.2565 120.0900 57.2033 41.0152 176.7132 167 H 4.6086 7.6608 113.9602 56.3469 29.2429 175.3956 168 I 4.1825 7.2168 121.7980 60.4112 37.4889 175.3240 169 D 4.4656 8.5923 125.5578 53.8717 41.8685 175.7607 170 K 4.1028 8.7777 128.1600 59.8350 32.6117 177.7458 171 D 4.4128 8.1988 116.8352 57.0566 41.7524 176.5684 172 H 4.9853 9.0748 114.9970 53.1118 29.2073 172.2987 173 P 4.3047 0.0000 0.0000 65.4262 31.6053 178.5499 174 L 4.3658 7.7415 115.4720 54.2215 41.9758 175.7895 175 Q 4.2003 7.7407 121.3090 54.2684 28.8982 173.8587 176 P 4.1112 0.0000 0.0000 62.4014 32.2956 176.2385 177 H 4.4605 8.5237 119.1976 55.3581 29.4067 175.2359 178 T 4.0967 8.2706 113.6213 63.4071 68.8177 174.2393 179 D 4.6424 9.0149 123.1196 54.2648 38.7216 174.0419 180 A 4.4949 7.8346 121.4602 51.7586 19.5688 177.6120 181 V 3.8253 8.9163 122.1369 62.2172 32.8686 174.7454 182 E 3.2866 8.5415 129.8234 55.1381 30.0495 175.9235 183 V 3.7975 7.8519 128.7776 62.6441 32.1336 175.7835 184 H 4.4198 8.7285 124.2978 55.9846 28.8042 175.1022 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 2 L 8.17 4.61 0.00 1.79 1.56 0.88 0.48 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 3 T 9.26 4.60 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 1.17 0.00 0.00 *5 K 9.89 4.27 0.00 1.92 2.05 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 6 D 8.03 4.44 0.00 2.76 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 7 I 7.46 4.45 1.84 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.90 0.00 0.00 8 I 8.40 4.03 1.75 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 1.24 0.45 0.74 0.00 0.00 9 R 8.34 4.91 0.00 1.77 1.89 0.00 3.54 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 10 D 9.08 4.48 0.00 2.89 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 11 G 9.31 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 0.00 0.00 0.00 12 H 8.58 4.29 0.00 3.31 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.77 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 4.30 0.00 2.30 2.30 0.00 3.45 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 14 T 8.12 4.24 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 1.19 0.00 0.00 15 L 8.13 4.17 0.00 1.88 1.73 0.99 0.87 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 16 R 7.65 4.41 0.00 1.90 1.92 0.00 3.28 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 17 Q 7.63 4.46 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 18 K 8.32 4.75 0.00 1.75 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.43 7.81 19 A 9.13 4.41 1.28 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 0.00 0.00 0.00 20 A 8.66 4.39 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 21 E 8.75 4.42 0.00 1.87 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 2.32 2.30 0.00 22 L 9.37 4.40 0.00 1.72 1.59 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.53 4.44 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 24 L 8.14 4.72 0.00 1.67 1.56 0.93 1.10 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 25 P 0.00 4.52 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 26 L 8.12 4.29 0.00 1.67 1.65 0.94 0.89 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 27 T 8.84 4.26 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 28 K 8.47 3.86 0.00 1.89 1.85 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.56 7.81 29 E 8.13 3.92 0.00 2.07 1.93 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 2.37 2.40 0.00 30 E 8.20 3.99 0.00 2.21 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 2.33 2.35 0.00 31 K 8.10 3.99 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.68 7.81 32 E 8.37 3.97 0.00 2.14 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 2.33 2.61 0.00 33 T 7.74 3.84 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 1.19 0.00 0.00 34 L 7.82 4.11 0.00 1.74 1.86 0.99 1.01 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 35 I 8.12 3.93 2.01 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 1.47 0.59 0.92 0.00 0.00 36 A 7.98 4.37 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 *38 R 8.00 4.18 0.00 1.91 2.16 0.00 3.21 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 39 E 8.41 3.93 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 40 F 8.51 4.08 0.00 3.25 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 41 L 7.97 3.91 0.00 1.94 1.72 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.69 3.55 2.25 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 0.82 0.00 0.00 0.96 0.00 0.00 43 N 8.39 4.44 0.00 2.70 2.77 0.00 0.00 6.87 6.97 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 44 S 8.17 3.99 0.00 3.95 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.53 4.46 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 46 D 7.47 4.63 0.00 2.68 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 47 E 9.05 3.87 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 2.37 2.38 0.00 48 E 8.15 3.84 0.00 2.06 2.09 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.61 1.63 0.00 57 S 8.02 4.20 0.00 3.90 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 58 G 8.04 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 0.00 0.00 0.00 0.00 59 V 7.73 4.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 60 G 7.79 4.38 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 0.00 61 L 8.96 4.98 0.00 1.80 1.47 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.97 4.98 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 63 A 8.89 3.87 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 64 P 0.00 4.29 0.00 2.15 2.10 0.00 3.50 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 65 Q 8.35 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4.34 0.00 2.84 2.86 0.00 0.00 7.07 8.06 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 93 P 0.00 4.68 0.00 2.14 2.12 0.00 3.86 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 94 K 8.82 4.60 0.00 1.83 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 95 I 8.48 4.36 1.89 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 1.34 0.66 0.94 0.00 0.00 96 V 8.74 4.04 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 0.99 0.00 0.00 97 S 7.49 4.77 0.00 3.79 3.86 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 98 H 8.01 5.19 0.00 3.14 3.18 0.00 5.53 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.87 4.35 0.00 3.90 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 0.00 100 V 8.37 3.82 2.10 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 0.00 0.00 0.00 109 E 8.37 4.59 0.00 1.59 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 110 G 7.61 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 0.00 111 C 8.02 4.73 0.00 3.18 3.06 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 0.00 112 L 8.65 4.16 0.00 1.73 1.80 1.23 0.98 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 0.00 113 S 8.15 4.47 0.00 3.98 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 0.00 114 V 7.61 4.52 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.26 0.00 0.00 115 D 8.98 4.59 0.00 2.74 2.77 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 0.00 0.00 0.00 116 D 7.72 4.97 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.06 3.23 0.00 5.66 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 0.00 126 N 9.34 4.56 0.00 2.95 2.84 0.00 0.00 6.74 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.52 5.28 0.00 1.72 1.62 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 128 I 8.66 5.12 1.85 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 1.16 0.66 0.94 0.00 0.00 129 T 8.85 4.94 4.20 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 1.21 0.00 0.00 130 I 8.76 4.96 1.65 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 1.18 0.59 0.85 0.00 0.00 131 K 8.65 5.08 0.00 1.65 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.32 7.81 132 A 8.76 4.68 1.28 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 0.00 0.00 0.00 133 K 8.89 5.08 0.00 1.68 1.71 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.50 7.81 134 D 8.76 4.95 0.00 2.78 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 0.00 135 I 8.57 3.60 1.90 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 1.43 0.83 0.93 0.00 0.00 136 E 8.46 4.36 0.00 2.12 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 2.26 2.24 0.00 137 G 8.43 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 0.00 0.00 0.00 138 N 8.35 4.71 0.00 3.14 2.76 0.00 0.00 6.98 7.62 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 0.00 139 D 8.33 5.20 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.79 4.70 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.94 0.00 0.00 141 Q 8.71 4.82 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 142 L 8.94 4.69 0.00 1.24 1.17 0.70 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.48 4.92 0.00 1.63 1.82 0.00 3.13 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 144 L 8.73 4.89 0.00 1.37 1.33 0.02 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.20 4.94 0.00 1.71 1.63 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.45 7.81 146 G 9.16 3.68 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 0.00 0.00 0.00 147 Y 8.93 4.17 0.00 3.04 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 0.00 148 P 0.00 3.86 0.00 1.59 1.17 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.74 0.00 149 A 7.79 3.95 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 0.00 150 I 7.79 3.62 1.91 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 1.39 0.98 0.89 0.00 0.00 151 V 7.57 3.36 1.87 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 0.69 0.00 0.00 0.18 0.00 0.00 152 F 8.31 3.96 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.19 4.02 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 154 H 8.08 4.05 0.00 3.18 3.47 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.28 4.21 0.00 2.10 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 2.39 2.34 0.00 156 I 8.17 3.86 1.90 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 1.58 0.90 0.93 0.00 0.00 157 D 8.33 4.37 0.00 2.96 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 0.00 158 H 7.85 4.14 0.00 3.37 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.21 4.22 0.00 1.82 1.72 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 160 N 7.76 4.75 0.00 2.77 2.79 0.00 0.00 6.95 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 7.79 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 0.00 0.00 0.00 0.00 162 V 7.50 4.27 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 0.79 0.00 0.00 0.93 0.00 0.00 *164 F 8.39 4.86 0.00 3.48 3.28 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 0.00 165 Y 5.87 4.10 0.00 2.87 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 0.00 166 D 7.26 4.32 0.00 2.30 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 0.00 167 H 7.66 4.61 0.00 3.33 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.22 4.18 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.58 0.95 0.00 0.00 169 D 8.59 4.47 0.00 2.67 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 8.78 4.10 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 171 D 8.20 4.41 0.00 2.64 2.52 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 0.00 172 H 9.07 4.99 0.00 3.09 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.30 0.00 2.23 2.44 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 174 L 7.74 4.37 0.00 1.66 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 7.74 4.20 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 176 P 0.00 4.11 0.00 2.07 1.65 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 177 H 8.52 4.46 0.00 3.10 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.27 4.10 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 1.22 0.00 0.00 179 D 9.01 4.64 0.00 2.91 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 0.00 180 A 7.83 4.49 1.59 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 0.00 0.00 181 V 8.92 3.83 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 0.85 0.00 0.00 0.95 0.00 0.00 182 E 8.54 3.29 0.00 1.84 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 183 V 7.85 3.80 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 0.87 0.00 0.00 0.93 0.00 0.00 184 H 8.73 4.42 0.00 3.11 3.17 0.00 5.98 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.