NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3528 0.0000 0.0000 62.4735 32.4886 176.7428 6 T 3.9523 8.2060 114.1669 60.7256 70.7010 173.7405 7 I 3.6419 8.3598 121.5614 64.4981 37.5947 179.0037 8 N 4.1751 8.2373 117.2530 57.1808 38.6436 176.5247 9 Q 3.9896 8.2845 119.0476 59.0538 28.6101 178.7200 10 L 3.9801 8.1490 120.2906 57.7973 41.4169 179.6402 11 V 3.6793 8.1846 117.5071 66.4256 31.6022 177.6206 12 R 3.9494 8.1449 116.8026 58.6183 29.5840 178.1671 13 K 3.6362 7.2191 123.3139 56.5869 33.4793 178.6412 14 G 4.1039 7.8952 105.4184 45.7762 0.0000 173.0902 15 R 4.1076 8.0895 118.3034 55.7134 30.8353 175.7726 16 E 4.5507 8.3525 121.3216 53.9632 31.2039 175.6010 17 K 4.0926 8.5063 127.7301 55.9885 32.2815 176.1415 18 V 3.2173 7.7569 119.1785 61.1847 31.9867 171.9007 19 R 3.8419 7.9378 134.1004 55.8445 29.6815 176.0171 20 K 4.6010 8.3113 123.5770 54.9462 35.0954 175.7837 21 K 4.3142 8.1151 118.7483 55.0341 33.5322 176.9635 22 S 4.1537 8.4075 116.5022 58.0015 62.0805 174.7299 23 K 3.9404 8.6138 128.7372 57.6339 31.9172 176.7388 24 V 3.9809 7.4410 114.1865 62.7100 33.0406 170.7656 25 P 4.5841 0.0000 0.0000 61.7730 30.4252 175.6509 26 A 4.4892 8.0998 132.8063 52.5846 20.1295 178.8619 27 L 3.6847 6.8551 121.9557 56.5569 40.7977 174.0694 28 K 4.5147 8.6225 116.7603 61.0037 30.1876 177.9548 29 G 3.6079 7.9953 110.3990 46.5613 0.0000 171.7518 30 A 4.6618 7.3490 125.1291 49.7598 21.3942 175.4507 31 P 3.9583 0.0000 0.0000 65.5003 31.4937 176.0518 32 F 5.0968 7.4506 112.5610 56.4415 43.4827 173.8084 33 R 4.6941 8.7678 119.5540 54.9190 33.7582 174.7417 34 R 4.8996 8.8103 126.1059 54.7697 32.6231 174.7422 35 G 4.4388 7.4450 110.5054 46.2512 0.0000 171.5084 36 V 4.6657 7.9430 120.7662 61.3080 33.7441 175.0671 37 C 4.6258 8.5983 125.2879 59.8372 27.3583 173.4868 38 T 3.9938 8.4417 120.1929 64.6876 67.5933 174.5437 39 V 4.4916 7.5450 118.7629 61.5790 35.6819 174.0636 40 V 4.8061 8.2379 123.9250 60.9323 31.9150 175.8415 41 R 4.4877 8.0886 133.3996 55.6660 29.0878 178.6111 42 T 4.4749 7.7567 103.9159 62.4037 68.4562 173.8886 43 V 4.2319 7.8237 122.8324 60.5766 34.3256 174.4010 44 T 4.8835 8.1672 109.9850 59.6135 71.4292 172.1674 45 P 4.2259 0.0000 0.0000 62.8382 32.5818 175.2350 46 K 4.4471 8.4831 120.1494 57.4998 33.1019 177.5660 47 K 4.2963 6.5518 111.7892 56.0163 34.9071 174.4178 48 P 4.7814 0.0000 0.0000 62.3729 32.1369 174.4135 49 N 4.9540 7.8703 116.2873 52.0433 40.8342 174.1241 50 S 4.4529 8.1132 112.7680 56.1160 65.2931 173.1731 51 A 4.2734 7.4625 128.5078 52.8771 21.9786 175.7109 52 L 5.0460 7.8628 113.9283 51.9905 41.7950 177.1357 53 R 4.1301 7.7550 118.7472 57.1005 32.1103 177.3061 54 K 4.3987 8.7724 121.9199 55.3338 33.8117 175.7859 55 V 4.9007 8.4219 124.1142 61.1036 35.6866 173.9107 56 A 4.8180 8.8793 125.7830 50.3770 22.8586 175.8109 57 K 4.6987 8.9555 122.1559 56.0743 34.1314 176.3762 58 V 4.8346 9.2608 123.6615 61.1664 35.2989 174.2277 59 R 4.6609 9.5263 129.9036 55.8364 30.7080 175.9868 60 L 4.8136 10.0592 127.3148 54.0057 42.7256 177.6135 61 T 4.0101 8.2747 110.5115 65.2316 68.6160 178.8809 62 S 4.3056 8.0030 119.2285 57.5365 61.8547 174.6959 63 G 3.9721 8.2784 105.9640 47.7409 0.0000 173.4659 64 Y 4.4453 7.8405 116.9178 57.2839 39.9104 174.3758 65 E 5.5209 8.3037 121.3071 54.3373 32.4253 174.6697 66 V 4.7517 8.2080 118.7951 59.8622 36.9070 173.9792 67 T 4.8168 8.5551 112.5966 61.5273 69.6922 173.9000 68 A 5.1256 9.2969 126.7526 50.3069 23.0789 174.8802 69 Y 4.9509 9.3398 122.3855 57.0492 41.0775 174.2023 70 I 4.5662 5.8781 120.5765 58.7914 40.4182 174.5638 71 P 4.1103 0.0000 0.0000 61.7385 32.3922 175.6416 72 G 3.6713 8.0161 106.2308 46.7820 0.0000 172.1253 73 E 4.0956 8.6278 117.7213 56.5794 30.1067 177.1510 74 G 3.9956 8.5429 115.3201 45.4508 0.0000 172.4380 75 H 4.5531 8.0753 111.2208 56.6886 31.4641 174.5195 76 N 4.5220 8.4111 111.2081 51.5606 37.0294 174.2315 77 L 4.4870 7.7956 118.4016 54.7669 43.4061 176.4028 78 Q 4.6948 8.8049 121.5643 53.3935 31.7408 176.1648 79 E 4.0166 8.7898 119.5602 59.3929 29.5326 176.6848 80 H 4.9921 7.7777 113.9393 56.0518 30.7987 173.1700 81 S 4.5003 8.4367 115.6369 57.8554 64.2795 174.2705 82 V 4.2203 8.4525 125.3305 63.1677 32.5729 174.9442 83 V 4.8888 8.8062 125.5836 61.9455 35.9546 172.0144 84 L 5.0018 8.5904 125.7445 53.4273 44.1720 174.8624 85 I 4.5908 8.8326 128.0440 60.8029 38.0629 176.5069 86 R 4.4748 10.0361 128.6238 56.4194 31.4068 174.6956 87 G 3.7666 10.4882 108.3027 45.5347 0.0000 171.6762 88 G 4.0327 8.0313 108.0333 44.9862 0.0000 171.0870 89 R 4.1779 8.7540 123.7084 55.5347 30.3265 177.0254 90 V 4.1543 7.5105 119.1373 62.1758 30.2932 174.5691 91 K 4.5447 7.2070 124.8003 54.4021 32.2955 175.1060 92 D 5.6276 7.8325 133.6532 54.3440 42.6506 175.9926 93 L 4.6751 6.8789 118.4581 52.9299 44.7433 173.8963 94 P 4.3559 0.0000 0.0000 64.0438 31.9056 175.5542 95 G 4.2467 9.2449 118.3620 45.7411 0.0000 173.1121 96 V 3.5919 6.9247 124.8073 63.1775 31.2441 175.6447 97 R 4.4439 8.6591 124.3986 55.6719 32.2312 174.6841 98 Y 5.1273 7.8792 116.0433 57.1814 42.5446 173.7278 99 H 5.2856 9.2852 119.6115 54.5596 31.9712 173.6179 100 I 4.8241 7.9039 121.3774 59.8268 38.3003 175.8817 101 V 3.6592 9.0341 127.8839 62.9722 30.8463 176.0650 102 R 3.9314 8.6497 127.4148 57.0079 30.5337 177.0216 103 G 4.1467 8.6733 105.5251 45.4650 0.0000 173.5650 104 V 4.2800 6.7677 117.8469 61.5921 35.4357 175.8507 105 Y 3.9992 7.8320 122.3654 59.7467 36.6664 173.3877 106 D 4.4577 9.2278 127.1823 56.9259 40.9075 176.2671 107 A 4.0345 8.4688 124.4564 51.8269 18.6417 176.2252 108 A 4.4672 8.2735 127.3099 50.5988 20.0378 177.2219 109 G 3.9340 8.4569 109.7587 46.3632 0.0000 172.4165 110 V 4.2006 7.8178 119.9627 61.7649 32.3006 175.5372 111 K 4.0491 8.6767 129.6635 56.8398 32.7077 176.1093 112 D 4.5178 8.9061 125.3773 54.9521 38.3167 173.7097 113 R 4.1775 7.8787 119.2070 56.1792 30.6032 176.2028 114 K 4.6562 8.4078 121.6715 56.2927 35.6010 176.7405 115 K 4.7233 7.3949 123.3587 55.1661 30.4026 180.0519 116 S 4.1003 8.7376 126.4342 60.1626 62.6106 173.7641 117 R 4.5792 8.3019 121.9410 55.2472 32.6893 177.5512 118 S 4.0733 8.4064 111.7576 61.0630 62.0887 174.7079 119 K 4.3352 7.8288 119.0045 57.4301 32.6430 177.0334 120 Y 3.7336 8.9035 119.2329 57.6590 35.1195 169.7409 121 G 3.8188 7.8005 106.7491 46.6318 0.0000 174.0184 122 T 4.3655 7.4323 117.1872 61.6744 69.6237 175.8603 123 K 4.0358 8.4150 125.7099 55.9696 32.7286 176.7520 124 K 4.0684 8.4161 123.5631 55.4122 31.9930 175.1532 125 P 4.4856 0.0000 0.0000 62.3685 32.2056 175.4324 126 K 4.4805 8.2230 120.0620 55.2770 33.4857 176.1607 127 E 4.1710 8.7661 122.9241 56.0546 30.7110 175.9307 128 A 3.5472 7.8496 120.3423 52.8911 16.1385 176.4528 *129 A 4.1172 7.7685 127.0767 52.7523 18.9464 177.1770 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 5 P 0.00 4.35 0.00 2.19 2.14 0.00 3.74 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 1.88 1.96 0.00 6 T 8.21 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 1.21 0.00 0.00 7 I 8.36 3.64 1.87 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 1.52 1.11 0.91 0.00 0.00 8 N 8.24 4.18 0.00 2.75 2.85 0.00 0.00 7.05 7.19 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 9 Q 8.28 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.15 3.98 0.00 1.85 1.73 0.92 0.71 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 11 V 8.18 3.68 2.31 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 0.83 0.00 0.00 0.98 0.00 0.00 12 R 8.14 3.95 0.00 2.01 1.77 0.00 3.23 0.00 0.00 3.22 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 13 K 7.22 3.64 0.00 1.86 1.77 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 14 G 7.90 4.10 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 0.00 0.00 0.00 15 R 8.09 4.11 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.35 4.55 0.00 1.90 1.82 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 2.20 2.26 0.00 17 K 8.51 4.09 0.00 1.75 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.76 3.22 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 7.94 3.84 0.00 1.95 2.01 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 K 8.31 4.60 0.00 1.87 1.76 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.36 7.81 21 K 8.12 4.31 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.41 4.15 0.00 3.86 3.78 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 23 K 8.61 3.94 0.00 1.72 1.76 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 24 V 7.44 3.98 2.02 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 0.89 0.00 0.00 0.58 0.00 0.00 25 P 0.00 4.58 0.00 2.30 2.15 0.00 4.00 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 26 A 8.10 4.49 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 27 L 6.86 3.68 0.00 1.75 1.63 0.53 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.62 4.51 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 29 G 8.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.35 4.66 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 31 P 0.00 3.96 0.00 2.01 1.88 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 32 F 7.45 5.10 0.00 2.93 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 33 R 8.77 4.69 0.00 1.83 1.69 0.00 3.25 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 34 R 8.81 4.90 0.00 2.00 1.77 0.00 2.74 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 35 G 7.45 4.44 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 0.00 36 V 7.94 4.67 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 0.91 0.00 0.00 0.89 0.00 0.00 37 C 8.60 4.63 0.00 3.06 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 38 T 8.44 3.99 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 39 V 7.54 4.49 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 0.89 0.00 0.00 0.92 0.00 0.00 40 V 8.24 4.81 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 0.88 0.00 0.00 0.95 0.00 0.00 41 R 8.09 4.49 0.00 1.88 1.66 0.00 3.36 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 42 T 7.76 4.47 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 1.22 0.00 0.00 43 V 7.82 4.23 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 0.88 0.00 0.00 0.96 0.00 0.00 44 T 8.17 4.88 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 1.22 0.00 0.00 45 P 0.00 4.23 0.00 2.20 2.08 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 46 K 8.48 4.45 0.00 1.85 1.65 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 47 K 6.55 4.30 0.00 1.78 1.74 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 48 P 0.00 4.78 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 49 N 7.87 4.95 0.00 2.73 2.77 0.00 0.00 6.58 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.11 4.45 0.00 3.77 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 51 A 7.46 4.27 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 52 L 7.86 5.05 0.00 1.62 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.75 4.13 0.00 1.87 2.10 0.00 3.24 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 54 K 8.77 4.40 0.00 1.56 1.57 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 55 V 8.42 4.90 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 1.11 0.00 0.00 1.06 0.00 0.00 56 A 8.88 4.82 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 57 K 8.96 4.70 0.00 1.74 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.40 7.81 58 V 9.26 4.83 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 0.79 0.00 0.00 0.98 0.00 0.00 59 R 9.53 4.66 0.00 1.89 1.79 0.00 3.18 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 60 L 10.06 4.81 0.00 1.62 1.56 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.27 4.01 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 62 S 8.00 4.31 0.00 3.78 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 63 G 8.28 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 0.00 0.00 0.00 64 Y 7.84 4.45 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.30 5.52 0.00 1.89 1.74 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 2.17 2.18 0.00 66 V 8.21 4.75 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 0.86 0.00 0.00 0.68 0.00 0.00 67 T 8.56 4.82 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 68 A 9.30 5.13 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 69 Y 9.34 4.95 0.00 2.89 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 70 I 5.88 4.57 1.46 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.51 0.68 0.00 0.00 71 P 0.00 4.11 0.00 1.37 1.56 0.00 3.56 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 1.81 2.00 0.00 72 G 8.02 3.67 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 0.00 0.00 0.00 73 E 8.63 4.10 0.00 2.01 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 2.34 2.36 0.00 74 G 8.54 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 75 H 8.08 4.55 0.00 3.18 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.41 4.52 0.00 2.74 2.80 0.00 0.00 5.84 7.79 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 77 L 7.80 4.49 0.00 1.73 1.66 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.80 4.69 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 79 E 8.79 4.02 0.00 1.95 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 0.00 2.29 2.53 0.00 80 H 7.78 4.99 0.00 2.96 3.22 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.44 4.50 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.45 4.22 2.30 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 0.62 0.00 0.00 0.87 0.00 0.00 83 V 8.81 4.89 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 0.84 0.00 0.00 0.98 0.00 0.00 84 L 8.59 5.00 0.00 1.77 1.43 0.48 1.12 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 85 I 8.83 4.59 2.06 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 1.03 1.21 0.95 0.00 0.00 86 R 10.04 4.47 0.00 1.96 2.32 0.00 3.42 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 87 G 10.49 3.77 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 0.00 0.00 0.00 88 G 8.03 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.75 4.18 0.00 1.73 1.84 0.00 3.00 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 90 V 7.51 4.15 1.83 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 0.37 0.00 0.00 0.51 0.00 0.00 91 K 7.21 4.54 0.00 1.70 1.72 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 92 D 7.83 5.63 0.00 2.83 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 93 L 6.88 4.68 0.00 1.59 1.46 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.36 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 95 G 9.24 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 0.00 0.00 0.00 0.00 96 V 6.92 3.59 2.02 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 0.95 0.00 0.00 0.94 0.00 0.00 97 R 8.66 4.44 0.00 1.47 1.16 0.00 3.03 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 98 Y 7.88 5.13 0.00 2.95 2.87 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 99 H 9.29 5.29 0.00 3.21 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.90 4.82 1.93 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 1.15 0.66 0.94 0.00 0.00 101 V 9.03 3.66 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 0.51 0.00 0.00 0.81 0.00 0.00 102 R 8.65 3.93 0.00 1.79 1.81 0.00 3.56 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 103 G 8.67 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 0.00 0.00 0.00 0.00 104 V 6.77 4.28 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 0.14 0.00 0.00 0.74 0.00 0.00 105 Y 7.83 4.00 0.00 3.13 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 0.00 0.00 0.00 0.00 106 D 9.23 4.46 0.00 2.96 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 0.00 107 A 8.47 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.27 4.47 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 0.00 109 G 8.46 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 0.00 110 V 7.82 4.20 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 0.83 0.00 0.00 1.06 0.00 0.00 111 K 8.68 4.05 0.00 1.82 1.71 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 112 D 8.91 4.52 0.00 2.89 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 0.00 113 R 7.88 4.18 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 114 K 8.41 4.66 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.57 7.81 115 K 7.39 4.72 0.00 1.65 0.95 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 116 S 8.74 4.10 0.00 3.53 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 0.00 117 R 8.30 4.58 0.00 1.79 2.03 0.00 3.56 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 118 S 8.41 4.07 0.00 3.82 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 0.00 119 K 7.83 4.34 0.00 1.90 2.04 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.48 7.81 120 Y 8.90 3.73 0.00 3.10 3.26 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 0.00 121 G 7.80 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 0.00 122 T 7.43 4.37 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 1.30 0.00 0.00 123 K 8.41 4.04 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.42 4.07 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 125 P 0.00 4.49 0.00 2.21 2.03 0.00 3.79 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 1.98 1.94 0.00 126 K 8.22 4.48 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.58 7.81 127 E 8.77 4.17 0.00 1.99 1.98 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 2.25 2.23 0.00 128 A 7.85 3.55 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 *129 A 7.77 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.