NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3418 8.3349 115.2852 57.8796 63.4712 172.9427 4 L 4.1288 8.3756 128.2551 53.0879 42.2759 173.4404 5 E 4.0798 9.0319 125.4665 58.3767 30.9250 176.5796 6 K 4.5729 7.6855 117.8846 54.4615 35.2973 174.9877 7 V 4.3885 8.2428 125.1808 60.0358 33.2225 175.8004 8 L 4.3219 8.4864 122.8263 56.7186 42.6060 176.5790 9 Y 4.8162 7.6168 118.0010 56.1588 41.8126 173.2623 10 T 3.9535 7.3640 122.2435 61.2488 70.9678 173.4628 11 A 4.2417 7.9675 129.2217 50.9129 19.5800 176.2338 12 I 4.6694 8.2024 122.6093 59.5794 40.7048 175.0069 13 V 4.9274 8.4320 118.7105 59.9504 36.0770 174.7217 14 T 4.6426 9.1487 119.7486 61.8060 71.0769 172.9604 15 A 5.1977 8.6733 128.5523 50.6704 20.8311 176.1179 16 T 4.4172 8.9608 112.5155 61.1632 71.5984 174.0656 17 G 4.1966 8.8894 114.4319 44.9077 0.0000 173.2926 18 G 4.0353 7.7410 105.3211 43.8348 0.0000 176.1268 19 R 4.0690 8.5604 119.6626 58.2995 30.3321 176.2247 20 D 5.0445 6.8987 115.1096 50.4854 41.5630 176.4611 21 G 4.1316 8.1607 118.0788 45.2121 0.0000 169.9942 22 S 4.9925 8.5774 117.5358 57.4212 67.0760 174.1336 23 V 4.9449 8.8340 120.4141 61.1753 34.9695 174.3437 24 V 5.0370 8.8444 127.0594 61.0030 34.6936 175.1701 25 S 4.9374 9.4760 123.4848 57.8697 64.0365 175.6089 26 S 4.1829 8.9953 116.3503 60.7293 62.8665 174.8330 27 D 4.5883 8.0411 118.0331 52.3576 39.6250 176.2638 28 N 4.3305 8.1799 116.8329 54.3837 38.4389 175.1880 29 V 3.6605 7.8285 111.1231 64.1890 31.8648 175.9374 30 L 4.5160 8.2392 123.6590 53.5545 43.3531 175.4813 31 N 5.1730 8.6627 125.5560 52.4196 40.9241 173.4736 32 V 4.6228 9.1934 119.3674 59.4738 36.5158 175.1306 33 K 4.8535 8.5815 122.3157 55.3129 34.4445 175.3890 34 L 5.4385 9.0627 122.8869 53.1203 44.9272 175.7881 35 S 4.7619 8.7845 116.2299 56.6732 66.9510 173.3174 36 V 4.0942 8.1378 120.7052 60.9601 32.6872 173.9669 37 P 4.6897 0.0000 0.0000 62.5897 32.1375 177.3689 38 Q 4.8171 8.1583 118.6075 58.6222 28.8468 179.2978 39 G 3.7633 8.1471 105.7564 47.9623 0.0000 173.8139 40 L 4.3821 7.8758 117.4753 54.3748 41.7937 177.1745 41 G 3.8525 8.6253 107.3591 45.4009 0.0000 174.1622 42 G 3.9603 7.9122 109.9637 43.3838 0.0000 172.9207 43 P 4.3508 0.0000 0.0000 63.2534 31.1143 176.5305 44 G 4.0015 7.4249 115.7634 41.0674 0.0000 178.0403 45 G 3.9385 7.6037 111.9330 44.1874 0.0000 173.3444 46 S 4.6544 8.6244 112.4393 57.8374 63.1964 173.8231 47 G 4.0527 8.4173 108.4017 45.6445 0.0000 174.6739 48 T 4.8067 8.5231 114.8961 61.7767 70.2363 172.6004 49 N 5.0385 8.4116 115.1541 50.5922 40.0164 173.8904 50 P 4.3360 0.0000 0.0000 65.8272 31.2304 178.8896 51 E 4.0950 8.2072 117.1489 59.4766 29.3096 179.1673 52 Q 4.0239 9.0005 118.6337 58.7756 28.7774 178.6393 53 L 4.0279 8.0756 120.1764 57.7301 41.6889 179.3696 54 F 4.2676 8.6251 120.5771 61.0744 39.3230 176.9233 55 A 3.8387 8.3775 120.4713 55.1282 18.1742 179.3790 56 A 3.9477 8.2722 119.3963 55.2371 18.2863 179.9689 57 G 3.2971 7.7133 102.5655 47.9712 0.0000 174.7901 58 Y 3.6656 7.7348 122.7139 60.3105 38.9097 178.3660 59 S 4.1649 8.3331 116.1565 61.4410 62.8156 176.6917 60 A 4.0344 7.7962 119.1593 53.1901 17.6947 178.6288 *62 F 4.4621 7.9405 123.9075 59.4828 41.4740 177.0683 63 I 3.8169 7.9716 121.0049 64.5803 36.8191 178.4614 64 G 3.6470 7.9373 105.6223 47.8723 0.0000 175.4441 65 A 3.9888 7.8668 122.6919 54.6381 18.3861 179.2533 66 L 3.7664 8.0969 119.1451 58.2999 42.2118 179.3535 67 K 3.9706 8.6696 118.7321 59.3052 31.8744 179.1127 68 F 4.0357 8.5665 121.1750 61.4745 39.3632 177.6930 69 V 3.4236 8.0859 111.8394 64.0949 31.2909 178.2553 70 A 3.9208 8.3066 121.0251 55.2180 18.2058 179.0468 71 N 4.0658 7.9945 115.2040 56.8486 38.8380 176.6832 72 K 3.6794 7.5322 119.8539 59.4513 32.1960 177.4988 73 E 4.2478 8.2160 115.8505 55.2205 29.7025 176.3086 74 K 3.7720 8.0446 117.7595 57.3030 30.4034 175.0756 75 V 4.2307 7.8860 118.4124 61.0231 32.5792 175.0000 76 D 4.4998 8.5208 127.3749 53.9930 41.4412 175.8028 77 L 4.4820 8.2495 123.0662 52.8042 42.2271 175.6783 78 P 4.2698 0.0000 0.0000 63.9490 31.8065 175.6317 79 A 4.5264 7.2107 120.1165 50.8165 22.2693 175.8457 80 E 3.9939 8.6868 119.5686 56.0985 29.8224 175.8806 81 P 4.6642 0.0000 0.0000 62.9676 32.5861 175.6431 82 R 4.5985 9.2891 122.7500 54.5078 33.1515 174.1127 83 V 4.7740 8.4463 125.8111 61.0616 33.8906 174.3708 84 E 4.2255 9.2191 131.0103 55.3923 30.2719 175.0079 85 G 4.7587 8.3875 114.6408 44.1669 0.0000 172.2038 86 R 4.7910 9.0166 123.1824 54.0753 34.0487 174.7270 87 V 4.7185 8.5041 122.5744 61.2045 33.8806 174.8837 88 G 4.1630 9.1898 116.3195 45.2937 0.0000 171.7978 89 I 5.2578 8.2093 121.6523 59.2126 41.1288 174.4108 90 G 4.3485 8.8301 114.9569 45.3850 0.0000 171.0622 91 E 4.6286 8.7812 119.6274 55.7413 30.3865 176.8720 92 I 4.5140 8.3009 116.9257 57.6744 40.6035 173.1145 93 P 4.2639 0.0000 0.0000 64.6291 31.2416 176.7133 94 G 3.8454 8.2407 111.5670 45.2155 0.0000 171.6422 95 G 3.8616 6.2297 109.9061 44.0446 0.0000 175.3275 96 F 5.3407 8.6812 124.0926 55.4496 42.1630 173.6858 97 G 4.3718 9.2452 108.0128 44.7409 0.0000 171.0773 98 L 5.5961 8.4945 119.0501 52.9011 45.0098 176.5972 99 V 4.6182 8.6587 119.0099 60.2707 35.2887 174.0578 100 V 4.9171 8.9850 123.2416 61.2373 34.4215 174.0173 101 E 5.0107 9.0477 126.4386 54.5229 32.9327 174.5515 102 L 4.7679 8.9414 125.1172 52.9180 44.2270 175.6579 103 R 4.8191 8.8029 123.9972 54.7196 32.1116 175.2195 104 I 4.9058 9.1062 125.9676 59.3100 40.0382 174.6575 105 A 5.0927 9.2498 129.0977 49.1976 22.1077 175.0869 106 V 4.5504 8.2629 121.7228 60.4833 33.8558 174.4155 107 S 4.2142 8.6767 122.8774 60.4931 63.0298 175.6206 108 G 3.9296 9.0319 113.0719 45.3718 0.0000 172.7610 109 M 4.3829 7.4085 118.8552 54.0826 33.5279 176.1925 110 E 4.1203 8.5149 124.4824 56.2624 31.4021 178.3888 111 R 3.9609 8.6789 122.8880 59.4280 30.3716 179.2320 112 S 4.1124 8.1067 113.4436 61.9081 62.7846 176.2740 113 M 4.0140 7.9193 121.3775 57.9105 32.0542 177.4819 114 L 3.9437 8.3410 121.0020 58.4178 42.2150 178.6629 115 Q 3.9839 8.6664 119.5370 59.6214 28.9177 178.6624 116 T 3.8964 7.7294 116.1227 66.7495 68.5607 176.8358 117 L 4.0566 8.1061 120.9413 57.5906 41.6088 179.7636 118 V 3.8357 8.2228 118.6999 66.1886 31.2943 177.9089 119 D 4.5245 8.0434 117.7015 57.2773 41.0618 178.6449 120 K 4.1810 8.2262 118.9023 59.3288 32.1202 179.2082 121 A 3.9247 8.5413 121.4821 55.4666 17.9648 179.1284 122 H 4.7211 8.3412 115.5440 59.1232 30.0095 177.2880 123 R 4.1590 7.7821 119.0343 58.1308 30.1477 177.5300 124 V 4.0925 7.5231 108.8671 61.1026 32.9133 175.4039 125 C 4.2609 8.0843 122.4667 58.5060 31.9318 172.0503 126 P 4.1836 0.0000 0.0000 66.2537 30.6678 178.1839 127 Y 3.6186 7.8542 114.6595 60.5304 37.5555 178.4050 128 S 4.8596 7.7863 117.1963 61.3285 62.9553 176.0114 129 N 4.2882 8.3885 117.9801 56.4848 38.3355 177.0542 130 A 4.1115 8.0154 121.3688 54.2037 18.7560 178.6579 131 T 4.5127 7.3601 104.7293 60.2449 69.5722 174.3548 132 R 4.0206 7.1586 122.9326 58.3843 30.2841 176.5280 133 G 4.0878 9.0898 113.6364 45.5837 0.0000 173.5392 134 N 4.7044 7.9573 115.8787 54.1385 39.5812 174.8753 135 I 4.7547 7.2585 108.6912 58.9052 41.0573 173.7703 136 D 4.6229 8.5451 120.8033 54.0286 42.0974 175.6924 137 V 4.6976 8.4715 123.3298 61.2481 33.3762 174.5500 138 V 4.0861 8.8188 129.6599 61.7028 33.0740 174.4946 139 L 4.8306 8.4121 127.8227 53.1922 43.3131 175.7425 140 I 4.4768 8.9029 125.7129 59.2211 40.2475 174.9163 141 L 4.7706 8.6393 127.7643 54.2154 41.8932 176.2135 142 I 4.3385 8.6431 120.7919 59.6981 40.4234 176.5191 *143 D 4.4265 8.5048 121.7652 53.6349 40.3934 175.0202 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 S 8.33 4.34 0.00 3.83 3.83 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 4 L 8.38 4.13 0.00 1.73 1.57 0.89 0.62 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 5 E 9.03 4.08 0.00 1.91 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 2.28 2.28 0.00 6 K 7.69 4.57 0.00 1.68 1.59 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.41 7.81 7 V 8.24 4.39 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 0.78 0.00 0.00 0.94 0.00 0.00 8 L 8.49 4.32 0.00 1.72 1.81 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.62 4.82 0.00 2.93 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 T 7.36 3.95 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 1.06 0.00 0.00 11 A 7.97 4.24 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 12 I 8.20 4.67 1.85 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 1.29 0.71 0.90 0.00 0.00 13 V 8.43 4.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 14 T 9.15 4.64 4.25 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 1.21 0.00 0.00 15 A 8.67 5.20 1.22 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 16 T 8.96 4.42 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 17 G 8.89 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 0.00 0.00 0.00 0.00 18 G 7.74 4.04 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 0.00 0.00 0.00 19 R 8.56 4.07 0.00 1.77 1.97 0.00 3.06 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 D 6.90 5.04 0.00 2.53 2.53 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 21 G 8.16 4.13 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 0.00 0.00 0.00 22 S 8.58 4.99 0.00 4.01 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 23 V 8.83 4.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 24 V 8.84 5.04 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 0.99 0.00 0.00 0.94 0.00 0.00 25 S 9.48 4.94 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.00 4.18 0.00 3.99 4.05 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 27 D 8.04 4.59 0.00 2.81 2.85 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 28 N 8.18 4.33 0.00 2.90 2.96 0.00 0.00 7.14 7.08 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 29 V 7.83 3.66 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 0.77 0.00 0.00 1.02 0.00 0.00 30 L 8.24 4.52 0.00 1.78 1.57 0.94 0.79 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 31 N 8.66 5.17 0.00 2.72 2.67 0.00 0.00 7.00 7.71 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 32 V 9.19 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 0.70 0.00 0.00 0.94 0.00 0.00 33 K 8.58 4.85 0.00 1.67 1.71 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.40 7.81 34 L 9.06 5.44 0.00 1.67 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.78 4.76 0.00 3.91 3.76 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 36 V 8.14 4.09 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 0.92 0.00 0.00 0.94 0.00 0.00 37 P 0.00 4.69 0.00 2.19 1.95 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 38 Q 8.16 4.82 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.63 2.32 0.00 39 G 8.15 3.76 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 0.00 0.00 0.00 40 L 7.88 4.38 0.00 1.71 1.57 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.63 3.85 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 42 G 7.91 3.96 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 0.00 0.00 0.00 43 P 0.00 4.35 0.00 2.19 2.17 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 44 G 7.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 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 46 S 8.62 4.65 0.00 3.95 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 47 G 8.42 4.05 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 0.00 0.00 0.00 48 T 8.52 4.81 4.25 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 1.26 0.00 0.00 49 N 8.41 5.04 0.00 2.82 2.99 0.00 0.00 5.99 7.76 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 50 P 0.00 4.34 0.00 2.16 2.15 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 51 E 8.21 4.10 0.00 2.22 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 2.41 2.50 0.00 52 Q 9.00 4.02 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 53 L 8.08 4.03 0.00 1.92 1.78 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.63 4.27 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 55 A 8.38 3.84 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 0.00 0.00 0.00 0.00 0.00 56 A 8.27 3.95 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 57 G 7.71 3.30 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 58 Y 7.73 3.67 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.33 4.16 0.00 3.85 3.85 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 60 A 7.80 4.03 1.34 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 0.00 0.00 *62 F 7.94 4.46 0.00 3.36 3.27 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 63 I 7.97 3.82 2.10 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 0.82 0.93 0.00 0.00 64 G 7.94 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.87 3.99 1.14 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 0.00 0.00 66 L 8.10 3.77 0.00 1.74 1.82 0.95 0.81 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 67 K 8.67 3.97 0.00 1.96 1.86 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 68 F 8.57 4.04 0.00 3.19 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 69 V 8.09 3.42 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 0.93 0.00 0.00 1.05 0.00 0.00 70 A 8.31 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.99 4.07 0.00 2.76 2.75 0.00 0.00 6.89 6.06 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 72 K 7.53 3.68 0.00 1.15 1.67 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.26 7.81 73 E 8.22 4.25 0.00 2.05 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 2.43 2.46 0.00 74 K 8.04 3.77 0.00 1.77 1.84 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.36 7.81 75 V 7.89 4.23 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 0.77 0.00 0.00 0.96 0.00 0.00 76 D 8.52 4.50 0.00 2.70 2.56 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 77 L 8.25 4.48 0.00 1.69 1.78 0.91 0.99 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 78 P 0.00 4.27 0.00 2.17 2.16 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.96 0.00 79 A 7.21 4.53 1.30 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 80 E 8.69 3.99 0.00 1.97 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 2.32 2.29 0.00 81 P 0.00 4.66 0.00 1.96 2.03 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 82 R 9.29 4.60 0.00 1.79 1.73 0.00 3.02 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 83 V 8.45 4.77 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 0.74 0.00 0.00 1.05 0.00 0.00 84 E 9.22 4.23 0.00 2.04 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 2.23 2.23 0.00 85 G 8.39 4.76 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 0.00 0.00 0.00 86 R 9.02 4.79 0.00 1.63 1.76 0.00 3.20 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 87 V 8.50 4.72 2.38 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 1.04 0.00 0.00 1.15 0.00 0.00 88 G 9.19 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 89 I 8.21 5.26 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.28 0.88 0.00 0.00 90 G 8.83 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 0.00 0.00 0.00 0.00 91 E 8.78 4.63 0.00 1.79 1.69 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 1.74 2.27 0.00 92 I 8.30 4.51 1.85 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 1.28 0.69 0.91 0.00 0.00 93 P 0.00 4.26 0.00 2.03 2.04 0.00 3.68 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 2.01 2.07 0.00 94 G 8.24 3.85 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 95 G 6.23 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 0.00 0.00 0.00 96 F 8.68 5.34 0.00 2.90 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 97 G 9.25 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 98 L 8.49 5.60 0.00 1.55 1.63 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.66 4.62 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 0.92 0.00 0.00 1.02 0.00 0.00 100 V 8.98 4.92 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 0.48 0.00 0.00 1.26 0.00 0.00 101 E 9.05 5.01 0.00 1.82 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 2.15 2.20 0.00 102 L 8.94 4.77 0.00 0.94 1.03 -0.28 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.80 4.82 0.00 1.81 1.80 0.00 3.15 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 104 I 9.11 4.91 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 1.03 0.00 0.00 105 A 9.25 5.09 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 0.00 106 V 8.26 4.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 107 S 8.68 4.21 0.00 3.90 3.83 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 0.00 108 G 9.03 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 0.00 109 M 7.41 4.38 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 110 E 8.51 4.12 0.00 2.02 1.86 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 2.40 2.35 0.00 111 R 8.68 3.96 0.00 1.82 1.99 0.00 3.48 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 112 S 8.11 4.11 0.00 4.05 4.14 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 0.00 113 M 7.92 4.01 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 114 L 8.34 3.94 0.00 1.84 1.83 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.67 3.98 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 116 T 7.73 3.90 4.43 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 1.22 0.00 0.00 117 L 8.11 4.06 0.00 1.86 1.72 0.91 0.69 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 0.00 118 V 8.22 3.84 2.28 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 1.18 0.00 0.00 1.11 0.00 0.00 119 D 8.04 4.52 0.00 2.91 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 0.00 120 K 8.23 4.18 0.00 2.06 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.57 7.81 121 A 8.54 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.34 4.72 0.00 3.65 3.74 0.00 5.95 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.78 4.16 0.00 2.06 1.99 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 124 V 7.52 4.09 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 0.72 0.00 0.00 1.04 0.00 0.00 125 C 8.08 4.26 0.00 3.29 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 0.00 126 P 0.00 4.18 0.00 1.98 1.91 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 127 Y 7.85 3.62 0.00 2.22 1.66 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 0.00 128 S 7.79 4.86 0.00 4.20 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 0.00 129 N 8.39 4.29 0.00 2.70 2.85 0.00 0.00 7.08 7.32 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 0.00 130 A 8.02 4.11 1.23 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 0.00 0.00 131 T 7.36 4.51 4.43 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 1.51 0.00 0.00 132 R 7.16 4.02 0.00 1.93 1.93 0.00 3.36 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 133 G 9.09 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 0.00 0.00 0.00 134 N 7.96 4.70 0.00 2.92 2.89 0.00 0.00 6.72 7.57 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 0.00 135 I 7.26 4.75 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.98 0.00 0.00 136 D 8.55 4.62 0.00 2.65 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 0.00 137 V 8.47 4.70 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 0.62 0.00 0.00 1.18 0.00 0.00 138 V 8.82 4.09 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 0.85 0.00 0.00 0.91 0.00 0.00 139 L 8.41 4.83 0.00 1.48 1.48 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.90 4.48 1.80 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 1.18 0.86 0.88 0.00 0.00 141 L 8.64 4.77 0.00 1.53 1.62 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.64 4.34 1.86 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 1.18 0.90 0.88 0.00 0.00 *143 D 8.50 4.43 0.00 2.46 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 * Residues marked with a * may have inaccurate shift predictions.