NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2514 0.0000 0.0000 61.6338 31.3457 173.1864 3 K 3.5602 8.6064 124.7569 56.0003 31.6335 174.3952 4 K 4.1109 8.6582 125.3461 55.1569 34.5956 175.1503 5 V 5.3191 8.1624 125.9814 61.3466 34.0140 174.1494 6 L 4.5969 8.3685 127.7715 53.6086 44.6526 175.4932 7 T 4.8819 7.7281 115.6762 62.1530 72.2530 173.8618 8 G 4.4299 8.3773 111.4307 46.4483 0.0000 172.5366 9 V 4.4813 7.8349 119.4939 62.3131 33.5836 174.5117 10 V 4.6624 8.2092 124.0194 60.9469 33.3970 176.3719 11 V 4.2098 8.2316 120.2836 60.4367 32.5708 175.3269 12 S 4.4594 7.5798 111.9034 57.9768 65.2323 174.7852 13 D 4.9377 8.5318 126.5938 54.1580 41.5345 176.4829 14 K 4.3433 7.7859 114.0831 56.4896 32.0011 176.7066 15 M 4.8323 7.2846 117.5151 53.0982 35.1232 175.4526 16 Q 4.2029 8.6634 120.9904 56.7747 28.8828 176.3585 17 K 4.1452 9.3324 124.0861 57.0288 30.4031 174.8766 18 T 4.9258 7.5858 111.2911 62.7835 72.6950 173.8212 19 V 4.7453 9.1411 117.3531 60.0464 36.7639 174.7389 20 T 4.6196 8.1680 117.8044 62.1821 70.4570 173.9237 21 V 4.5416 8.9894 128.4925 60.8965 33.4987 174.4518 22 L 4.4202 9.1555 132.3388 54.6774 43.3844 175.4735 23 V 4.6586 9.0919 126.3191 61.1213 34.1200 173.9464 24 E 5.0173 8.6643 126.0890 54.7669 32.3187 175.6459 25 R 4.6171 9.3059 123.6443 55.1438 33.2490 173.8682 26 Q 5.2465 8.6151 124.9073 55.1224 30.9303 174.7052 27 F 4.7384 7.8817 113.1044 55.7130 41.5697 171.3743 28 P 4.7598 0.0000 0.0000 62.7357 32.2645 175.6915 29 H 4.2240 9.4366 125.3203 54.6036 30.8641 175.6280 30 P 4.7229 0.0000 0.0000 62.2895 30.4399 175.5294 31 L 4.2470 8.3492 124.2504 56.5882 48.3587 174.6178 32 Y 4.6787 7.8794 113.5886 56.8189 38.9927 176.5163 33 G 3.7138 7.2593 110.7516 45.2082 0.0000 174.8804 34 K 4.7505 7.8459 115.1669 51.4823 33.6353 175.0247 35 V 3.9026 8.3857 127.1810 62.8316 31.9525 174.7635 36 I 4.3772 8.5471 122.1958 58.9061 39.9456 174.5201 37 K 4.5521 8.5964 127.7429 55.8643 33.0269 175.6235 38 R 4.8730 9.2174 128.2096 54.5560 32.9296 174.2681 39 S 5.3218 8.6900 119.7839 56.8540 66.5879 172.8812 40 K 4.6201 9.3097 119.9146 55.5008 35.8835 174.1682 41 K 5.0524 8.6081 125.2068 55.3822 33.7581 175.4703 42 Y 4.6001 9.1136 121.5375 56.2260 41.9553 175.0211 43 L 5.0143 8.5676 122.6333 53.1016 42.1684 176.2023 44 A 4.3077 8.7295 126.3431 51.9809 19.9271 175.6037 45 H 4.9688 8.5012 118.7689 54.4049 31.2850 174.5372 46 D 5.0162 7.9296 127.4990 51.8121 40.1476 174.9321 47 P 3.8859 0.0000 0.0000 64.7817 31.7434 177.6629 48 E 4.2700 8.2093 116.7580 55.9033 30.5360 175.6447 49 E 3.9774 8.7199 118.1728 57.3937 27.1535 174.4649 50 K 4.4284 8.7626 116.0151 56.9972 35.2827 177.5061 51 Y 4.2810 9.3531 118.9188 56.9841 38.7468 174.6007 52 K 4.8695 10.2861 122.6670 54.2649 35.9986 174.7672 53 L 3.8899 8.1759 119.3166 56.3754 42.5492 175.0264 54 G 4.3224 9.2004 117.0796 45.7703 0.0000 173.7289 55 D 4.3422 7.6719 119.1242 54.6197 42.3023 176.6046 56 V 4.1656 8.3383 121.9512 61.7201 32.8126 174.9274 57 V 4.7706 8.2798 120.9742 59.5643 35.4893 174.4076 58 E 4.8766 8.8622 121.4007 55.1588 31.3534 175.6061 59 I 4.8164 8.9765 126.0229 59.5766 40.1444 174.3979 60 I 5.0033 8.7130 126.0462 58.7355 40.9032 174.2488 61 E 3.3750 9.9440 131.4299 56.8522 29.9396 175.9481 62 S 4.6265 8.0017 121.4900 56.7351 67.9124 173.7013 63 R 3.8715 8.4410 121.0875 55.5521 30.2627 174.1647 64 P 4.3074 0.0000 0.0000 63.7146 31.6216 175.9481 65 I 4.1103 9.3211 124.7826 60.7613 38.5143 176.1509 66 S 5.1730 8.3862 119.9965 59.5389 64.1587 177.9799 67 K 4.8802 7.1736 126.7435 54.9363 29.0160 172.2977 68 R 4.0217 7.5146 125.4498 55.0147 28.3817 174.1409 69 K 4.5936 8.6927 119.6103 55.0453 32.7618 175.8820 70 R 4.8607 8.5035 123.1741 55.5271 32.8514 174.8107 71 F 5.2706 8.2212 116.2769 56.5060 44.2153 173.4301 72 R 4.9417 8.8515 117.5525 54.5762 34.9439 175.2165 73 V 3.8321 7.7459 122.5233 62.9190 31.0431 175.7317 74 L 4.2335 9.0919 131.9988 56.9576 42.2787 176.9290 75 R 4.7890 7.3602 112.3175 56.2019 31.9229 172.6745 76 L 4.9255 8.8561 121.8452 54.1653 44.0637 176.0636 77 V 4.1427 8.0733 122.8283 61.7452 33.9631 172.4943 78 E 3.4791 9.0440 133.5156 55.9933 27.9365 173.8562 79 S 4.2281 8.5165 120.7401 57.4474 63.8415 173.4787 80 G 3.7875 8.7464 104.2767 47.4082 0.0000 174.7653 81 R 4.6821 7.8850 127.6867 53.2514 31.9577 176.5444 82 M 4.0407 8.4442 121.5152 59.1356 32.2062 178.5019 83 D 4.9855 7.8394 118.6417 56.6922 39.7686 178.9866 84 L 4.1270 7.8668 119.7444 57.6461 41.8600 179.1827 85 V 3.6582 7.8946 117.5792 66.4054 31.2378 177.5979 86 E 3.9950 9.0030 118.5999 59.3341 29.0759 178.9055 87 K 4.2573 8.4213 117.0449 57.8361 32.2626 178.1606 88 Y 4.2536 8.0272 121.0570 60.0799 38.9530 176.7994 89 L 3.7032 7.9817 119.1729 58.0017 41.7651 179.6910 90 I 3.5900 7.7338 119.2204 64.5934 36.9141 178.4276 91 R 3.8767 7.0781 117.0812 59.5387 30.0829 178.7598 92 R 3.2149 7.4420 118.1001 59.0221 30.0096 178.6383 93 Q 4.6498 7.9541 119.3835 58.9386 28.6594 178.2261 94 N 4.2683 8.5834 117.7459 56.9154 38.4340 176.8233 95 Y 4.2775 7.9668 117.4642 61.5601 38.0128 178.5160 96 E 3.5497 8.1553 119.6560 58.8976 29.3006 178.9578 97 S 4.8430 7.5585 111.1072 58.0544 63.2470 174.4795 98 L 4.4831 8.5340 120.4810 55.0660 42.1887 177.1927 99 S 4.4914 7.5754 114.7888 58.1541 64.8892 173.4982 100 K 4.4648 8.0856 118.2037 56.4553 32.6369 177.3277 *101 R 4.1415 7.7621 120.5439 56.4896 30.0213 177.3008 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 P 0.00 4.25 0.00 2.20 2.17 0.00 3.77 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 1.89 2.00 0.00 3 K 8.61 3.56 0.00 1.83 2.00 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 4 K 8.66 4.11 0.00 2.04 1.87 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.60 7.81 5 V 8.16 5.32 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 1.01 0.00 0.00 1.04 0.00 0.00 6 L 8.37 4.60 0.00 1.20 1.21 0.83 -0.51 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 7 T 7.73 4.88 4.18 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 0.00 0.00 0.00 1.20 0.00 0.00 8 G 8.38 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 0.00 0.00 0.00 0.00 9 V 7.83 4.48 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 0.93 0.00 0.00 0.89 0.00 0.00 10 V 8.21 4.66 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 0.98 0.00 0.00 0.98 0.00 0.00 11 V 8.23 4.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.52 0.00 0.00 12 S 7.58 4.46 0.00 3.84 3.66 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 13 D 8.53 4.94 0.00 2.69 2.55 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 14 K 7.79 4.34 0.00 1.81 1.84 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.47 7.81 15 M 7.28 4.83 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 16 Q 8.66 4.20 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 K 9.33 4.15 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81 18 T 7.59 4.93 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 1.37 0.00 0.00 19 V 9.14 4.75 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 0.89 0.00 0.00 20 T 8.17 4.62 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 21 V 8.99 4.54 1.97 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 0.94 0.00 0.00 0.84 0.00 0.00 22 L 9.16 4.42 0.00 1.46 1.33 0.91 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.09 4.66 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 0.57 0.00 0.00 0.38 0.00 0.00 24 E 8.66 5.02 0.00 1.86 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 2.23 2.26 0.00 25 R 9.31 4.62 0.00 1.79 1.94 0.00 2.92 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 26 Q 8.62 5.25 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 27 F 7.88 4.74 0.00 3.22 3.16 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 28 P 0.00 4.76 0.00 2.01 2.03 0.00 3.91 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 2.09 2.11 0.00 29 H 9.44 4.22 0.00 3.25 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.72 0.00 2.23 2.20 0.00 3.72 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 1.95 2.02 0.00 31 L 8.35 4.25 0.00 1.30 1.27 0.71 0.47 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 32 Y 7.88 4.68 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.26 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.85 4.75 0.00 1.83 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.46 7.81 35 V 8.39 3.90 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 0.91 0.00 0.00 36 I 8.55 4.38 1.78 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 0.22 0.31 0.88 0.00 0.00 37 K 8.60 4.55 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 38 R 9.22 4.87 0.00 2.29 1.92 0.00 3.34 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 39 S 8.69 5.32 0.00 4.01 3.84 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 0.00 0.00 0.00 40 K 9.31 4.62 0.00 1.83 1.81 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 1.30 7.81 41 K 8.61 5.05 0.00 1.66 1.69 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.49 7.81 42 Y 9.11 4.60 0.00 2.71 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 43 L 8.57 5.01 0.00 1.56 1.67 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.73 4.31 1.20 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 45 H 8.50 4.97 0.00 3.34 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.93 5.02 0.00 2.80 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 47 P 0.00 3.89 0.00 2.20 2.06 0.00 3.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 48 E 8.21 4.27 0.00 2.17 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 2.26 2.34 0.00 49 E 8.72 3.98 0.00 1.92 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 2.29 2.39 0.00 50 K 8.76 4.43 0.00 1.57 1.79 0.00 1.30 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 0.84 7.81 51 Y 9.35 4.28 0.00 3.16 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 52 K 10.29 4.87 0.00 1.86 1.89 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.47 7.81 53 L 8.18 3.89 0.00 1.63 1.65 0.95 1.13 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 54 G 9.20 4.32 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 0.00 55 D 7.67 4.34 0.00 2.78 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 56 V 8.34 4.17 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 1.00 0.00 0.00 0.95 0.00 0.00 57 V 8.28 4.77 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 0.73 0.00 0.00 0.74 0.00 0.00 58 E 8.86 4.88 0.00 2.00 1.81 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 2.20 2.24 0.00 59 I 8.98 4.82 1.47 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.61 0.70 0.00 0.00 60 I 8.71 5.00 1.90 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 1.12 1.53 1.02 0.00 0.00 61 E 9.94 3.37 0.00 2.03 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 2.13 1.90 0.00 62 S 8.00 4.63 0.00 3.68 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 63 R 8.44 3.87 0.00 1.73 1.80 0.00 3.41 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 64 P 0.00 4.31 0.00 2.04 2.00 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 65 I 9.32 4.11 1.82 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 1.30 0.67 0.71 0.00 0.00 66 S 8.39 5.17 0.00 4.03 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 67 K 7.17 4.88 0.00 1.77 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.47 7.81 68 R 7.51 4.02 0.00 1.88 2.23 0.00 3.29 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 69 K 8.69 4.59 0.00 1.88 1.75 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.39 7.81 70 R 8.50 4.86 0.00 1.76 1.60 0.00 3.14 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 71 F 8.22 5.27 0.00 3.00 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 72 R 8.85 4.94 0.00 1.77 1.77 0.00 3.18 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 73 V 7.75 3.83 1.57 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 -0.39 0.00 0.00 0.71 0.00 0.00 74 L 9.09 4.23 0.00 1.64 1.71 0.93 0.86 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 75 R 7.36 4.79 0.00 1.94 2.02 0.00 3.19 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 76 L 8.86 4.93 0.00 2.04 1.72 1.09 0.84 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 77 V 8.07 4.14 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 0.80 0.00 0.00 0.94 0.00 0.00 78 E 9.04 3.48 0.00 2.19 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 2.28 2.28 0.00 79 S 8.52 4.23 0.00 3.86 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 80 G 8.75 3.79 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 0.00 0.00 0.00 81 R 7.88 4.68 0.00 1.97 1.95 0.00 3.39 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 82 M 8.44 4.04 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 83 D 7.84 4.99 0.00 2.83 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 84 L 7.87 4.13 0.00 1.86 1.74 0.91 0.81 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 85 V 7.89 3.66 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 86 E 9.00 4.00 0.00 2.20 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 2.34 2.48 0.00 87 K 8.42 4.26 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.60 7.81 88 Y 8.03 4.25 0.00 2.98 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 89 L 7.98 3.70 0.00 1.70 1.67 0.95 0.74 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 90 I 7.73 3.59 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.82 0.88 0.00 0.00 91 R 7.08 3.88 0.00 1.73 1.77 0.00 3.24 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 92 R 7.44 3.21 0.00 1.29 1.72 0.00 2.90 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 93 Q 7.95 4.65 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.43 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 94 N 8.58 4.27 0.00 2.93 3.00 0.00 0.00 7.10 7.38 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 95 Y 7.97 4.28 0.00 3.18 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 96 E 8.16 3.55 0.00 2.19 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 2.36 2.40 0.00 97 S 7.56 4.84 0.00 3.93 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 98 L 8.53 4.48 0.00 1.51 1.67 0.87 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.58 4.49 0.00 3.85 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 0.00 100 K 8.09 4.46 0.00 1.67 1.69 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81 *101 R 7.76 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.