NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7319 8.3829 117.7992 52.3190 40.2439 176.7174 8 K 3.9813 8.2959 119.5139 56.6949 31.8494 179.0994 9 F 4.6437 8.6048 120.7849 61.0238 40.7399 175.8109 10 K 3.8779 8.2688 121.0865 59.5918 32.1977 179.9222 11 K 3.7264 8.7322 116.7847 56.9416 31.6821 178.6835 *13 A 4.1273 8.0910 124.2437 52.1883 20.5959 180.0253 14 L 3.9022 7.8708 115.8498 57.8242 41.5738 179.7673 15 R 3.8763 7.8671 118.0695 59.2700 29.7916 179.2879 16 V 3.5575 7.5730 116.1819 65.9203 31.8375 177.5645 17 I 3.7755 7.9899 119.6370 64.5305 36.9656 178.2567 18 A 3.9294 8.4197 121.6990 55.2724 17.9090 179.5097 19 E 4.0271 8.0857 116.4260 58.8684 29.5874 178.6534 20 S 4.5056 7.8440 112.2959 57.7046 63.7144 174.2155 21 L 4.2741 7.1833 124.1958 54.7209 41.9974 177.8016 22 S 4.5360 8.9665 119.3657 57.4787 65.4850 175.1122 23 E 3.9968 8.6508 121.4614 59.7914 29.1855 179.5976 24 E 4.0120 8.1118 117.9909 59.4770 29.6393 179.1154 25 E 4.0943 8.2351 118.5775 59.4226 29.4661 179.4723 26 I 3.8001 8.0499 119.7587 64.2617 37.1584 178.1850 27 A 4.1563 8.4219 121.9838 55.2168 17.9466 179.9094 28 G 3.9138 7.9070 103.1317 47.7584 0.0000 175.6315 29 L 4.3194 7.9129 120.4568 57.3929 41.8837 179.4172 30 K 4.1486 8.4976 118.6647 59.3203 31.6100 179.8760 31 E 4.3115 8.1467 117.0714 56.6690 29.3313 178.1484 *33 F 3.6931 8.0122 120.6962 57.5595 40.9006 178.1147 34 N 4.6289 7.9719 117.1824 53.1255 37.3914 176.3573 *36 I 3.9993 7.8251 120.5460 61.3428 39.5798 176.5449 37 D 4.3117 7.5121 121.3739 52.4513 39.2195 176.1104 38 A 3.9512 7.8577 125.5419 54.5809 18.9407 178.5258 39 D 4.5655 7.9874 112.5239 52.7410 39.8297 176.5186 40 K 3.9883 7.8846 118.1175 57.6517 30.0877 176.8550 41 S 4.1547 8.4728 115.1527 59.9035 63.0766 175.2584 42 G 4.1767 9.9110 109.6799 45.0203 0.0000 173.1278 43 Q 4.9854 7.7024 116.9456 54.3110 33.2901 174.4999 44 I 4.4407 9.0118 124.3117 60.4116 38.7129 175.9637 45 T 4.5335 8.7682 117.9990 60.7032 70.5199 175.7666 46 F 4.0804 9.0313 123.4615 61.5941 39.2507 176.7914 47 E 3.8418 8.3140 117.4801 59.6330 29.2669 179.1806 48 E 3.8757 8.0000 118.1498 59.0477 29.4817 179.0587 49 L 3.7994 8.0494 120.7871 58.0192 41.9334 178.8991 50 K 3.6504 7.4554 117.8684 59.5193 32.1724 178.2972 51 A 4.1994 7.9161 119.3766 54.1950 18.5298 179.0372 52 G 3.7181 8.1980 104.3482 46.5515 0.0000 175.9851 53 L 3.9972 7.8714 121.3975 57.9032 41.6243 179.6672 54 K 4.0549 8.0051 117.6357 59.6051 31.8403 178.9719 55 R 3.9770 7.5465 117.7981 58.9076 29.8669 177.7505 56 V 4.5683 7.5527 109.9857 60.8735 32.8194 176.3059 57 G 3.9993 8.2303 104.7689 45.4930 0.0000 173.7694 58 A 4.5911 8.1381 122.6692 50.3007 20.0063 177.6963 59 N 4.7899 8.6276 121.7068 51.6306 38.1724 173.6967 60 L 4.9204 7.9103 121.9220 52.3861 44.4789 177.5600 61 K 4.3166 8.5055 121.8754 56.0401 34.9760 177.7261 62 E 3.9650 8.8167 120.9963 59.9492 29.4163 179.4326 63 S 4.2057 8.1248 113.2937 61.5586 62.9468 176.1565 64 E 4.0124 8.1408 121.7287 59.1532 29.0717 179.0538 65 I 3.7554 7.6484 119.1143 64.3600 37.2483 178.1442 66 L 4.2881 7.9289 118.6715 57.9553 41.7576 178.8920 67 D 4.5828 8.2602 118.8292 57.2092 40.6363 179.1976 68 L 4.1822 7.8760 117.5912 55.7945 41.5942 178.1924 *70 Q 4.1644 8.0123 119.2144 55.5844 30.6476 176.1896 71 A 4.0991 8.1321 119.2325 54.8690 18.7100 178.5945 72 A 4.1050 8.2764 118.6143 55.1593 19.1909 178.1229 73 D 4.6979 7.7973 116.8064 53.0773 39.6112 176.5845 74 V 3.5955 7.7852 121.8644 65.2916 32.1801 176.0809 75 D 4.6610 8.1809 116.3253 52.4354 39.5532 175.7375 76 N 4.3399 8.0151 116.1037 54.7771 36.3936 175.2132 77 S 4.2834 8.5270 112.1838 58.6029 63.7102 175.2334 78 G 4.0142 9.5062 110.0012 45.7514 0.0000 173.1778 79 T 4.9532 7.7532 108.3584 59.9279 72.5507 173.4825 80 I 4.8144 8.8510 124.3237 59.8544 39.3774 175.5979 81 D 5.0419 9.1738 127.7837 52.4762 41.5056 177.1038 82 Y 3.2070 8.4645 118.4180 60.6256 38.5497 178.0763 83 K 3.6523 7.8876 118.7905 59.3542 32.1581 179.0723 84 E 3.9737 9.1167 119.3105 59.1323 29.1082 179.1972 85 F 4.1172 8.1495 120.0231 61.3297 39.8807 176.8019 86 I 3.6730 7.6846 119.1348 64.5179 36.7451 178.1959 87 A 3.9095 7.9606 121.0491 55.2215 17.5967 179.5475 88 A 3.9903 8.0439 119.5180 55.1146 18.2226 179.5218 89 T 3.8526 7.3394 106.8407 63.7907 69.0389 176.5484 90 L 3.9876 7.3073 121.5550 56.6427 41.8509 176.9827 91 H 4.6458 6.8569 114.4954 54.6076 29.9762 176.4329 92 L 4.3068 8.1675 122.2226 54.8911 39.0663 176.0443 93 N 4.8998 7.6042 120.0645 51.0146 41.2423 176.5073 94 K 4.1168 8.4099 118.4376 58.9919 32.2027 178.5490 95 I 4.0132 7.5885 110.3492 61.7697 38.5384 176.5347 96 E 4.8388 7.7171 122.5223 56.9319 29.5823 177.1792 97 R 3.9416 7.3365 118.6214 59.2332 30.3145 178.4062 98 E 4.8261 7.8972 116.4245 56.2679 31.2137 177.9337 99 D 4.5556 7.9944 122.0267 57.7895 40.8148 178.1974 100 H 4.3669 8.1324 116.3141 58.9210 28.8768 177.4225 101 L 4.2736 8.1540 121.7060 58.2605 42.0219 178.6122 102 F 3.9184 9.0104 121.0047 61.0796 39.4247 177.0489 103 A 4.2145 8.5253 120.3817 54.7732 18.0638 179.5553 104 A 3.9426 8.2979 119.7831 55.2587 18.5562 179.4068 105 F 3.4168 8.2454 119.2086 61.7913 39.1930 177.5824 106 T 3.8146 7.9700 115.1822 66.5618 67.9563 176.0912 107 Y 3.9105 7.4527 120.4718 60.6869 38.8285 177.8763 108 F 4.2858 7.4030 117.2421 59.2905 40.4559 176.6013 109 D 4.4245 7.2750 119.1731 52.2486 37.6734 175.4584 110 K 3.8270 7.7746 121.7661 59.6018 32.9182 178.5944 111 D 4.3003 8.3854 117.9185 57.8802 40.7422 177.9118 112 G 4.0489 8.3157 105.1070 45.7337 0.0000 174.6071 113 S 4.1982 7.9271 114.6782 59.5846 63.2343 175.3033 114 G 3.9585 9.4921 109.3549 45.0307 0.0000 172.7543 115 Y 5.1637 7.5357 115.8119 56.3395 42.1291 174.8295 116 I 4.4046 8.8991 125.3569 60.8754 38.6567 175.3750 117 T 4.7958 8.8395 117.0229 59.2729 71.5734 173.6965 118 P 4.2166 0.0000 0.0000 66.0517 31.4317 178.6870 119 D 4.3296 8.0384 117.0446 56.3477 39.1198 178.2011 120 E 4.0458 7.5523 118.0630 58.7838 29.5292 178.8500 121 L 4.1497 8.0208 121.3872 58.3205 41.7869 179.6274 122 Q 4.2669 8.1745 122.0611 61.0957 28.2334 180.9019 123 Q 4.3876 7.6358 119.1803 58.0103 29.4978 178.5179 *140 R 4.3843 7.5450 117.7515 56.8476 30.5621 175.7025 141 D 4.1728 8.1068 119.4368 56.5835 41.6583 178.2136 142 V 3.8946 7.1541 117.7631 64.8066 32.0953 176.0817 143 D 4.6811 7.6963 120.7884 53.6469 39.2397 175.9622 144 Q 4.0630 8.3487 123.2436 57.5075 28.8040 176.8051 145 D 4.5901 8.3256 115.8033 52.6649 39.9858 176.5914 146 N 4.2102 7.8218 116.5599 54.7739 36.4175 174.2676 147 D 4.5892 7.8649 112.1854 52.9630 39.7472 177.1994 148 G 3.9542 9.4155 108.1928 45.6553 0.0000 173.3599 149 R 4.8570 8.0957 114.3783 54.5990 33.2398 174.7999 150 I 4.8006 8.8679 121.8754 59.9304 38.8970 175.5431 151 D 5.1014 9.4651 128.1228 52.5043 41.2294 177.1242 152 Y 3.0802 8.2735 118.8428 60.6989 38.0656 177.7821 153 N 4.0848 8.0714 116.7449 56.2968 38.4668 177.0695 154 E 4.0195 8.9579 119.4129 59.2961 29.5933 178.8551 155 F 4.3344 7.9335 119.9581 61.2017 39.5293 177.1039 156 V 3.5086 7.4398 116.8043 65.0690 32.6694 177.3234 157 A 4.1570 7.4229 120.9038 52.4601 14.6374 177.3112 *160 Q 4.0002 7.9188 122.1559 55.5200 29.2737 175.6597 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 7 N 8.38 4.73 0.00 2.67 2.89 0.00 0.00 6.86 6.63 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 8 K 8.30 3.98 0.00 1.85 1.77 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.06 7.81 9 F 8.60 4.64 0.00 2.86 3.13 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 10 K 8.27 3.88 0.00 1.87 1.90 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.48 7.81 11 K 8.73 3.73 0.00 1.94 1.80 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.55 7.81 *13 A 8.09 4.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 3.90 0.00 1.80 1.64 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.87 3.88 0.00 1.81 1.96 0.00 3.26 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 16 V 7.57 3.56 2.17 0.00 0.00 0.00 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 17 I 7.99 3.78 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.84 0.00 0.00 18 A 8.42 3.93 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 19 E 8.09 4.03 0.00 2.22 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 0.00 2.33 2.29 0.00 20 S 7.84 4.51 0.00 4.01 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 21 L 7.18 4.27 0.00 1.71 1.66 0.88 1.25 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 22 S 8.97 4.54 0.00 4.20 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 23 E 8.65 4.00 0.00 2.05 2.07 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 2.42 2.42 0.00 24 E 8.11 4.01 0.00 2.07 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 0.00 2.37 2.48 0.00 25 E 8.24 4.09 0.00 2.22 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 2.44 2.41 0.00 26 I 8.05 3.80 2.04 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 1.48 0.60 1.01 0.00 0.00 27 A 8.42 4.16 1.42 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 0.00 0.00 0.00 28 G 7.91 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 0.00 0.00 0.00 29 L 7.91 4.32 0.00 1.98 2.01 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.50 4.15 0.00 1.99 1.72 0.00 1.67 0.00 0.00 1.41 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.88 7.81 31 E 8.15 4.31 0.00 2.19 2.36 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 2.76 2.54 0.00 *33 F 8.01 3.69 0.00 2.73 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 34 N 7.97 4.63 0.00 2.88 2.81 0.00 0.00 7.09 6.99 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 *36 I 7.83 4.00 1.55 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.28 0.76 0.00 0.00 37 D 7.51 4.31 0.00 1.89 2.20 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 38 A 7.86 3.95 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 39 D 7.99 4.57 0.00 2.73 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 40 K 7.88 3.99 0.00 1.93 1.92 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.36 1.49 7.81 41 S 8.47 4.15 0.00 4.00 4.27 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 42 G 9.91 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 0.00 0.00 0.00 0.00 43 Q 7.70 4.99 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 44 I 9.01 4.44 1.95 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.03 0.82 0.00 0.00 45 T 8.77 4.53 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 1.23 0.00 0.00 46 F 9.03 4.08 0.00 3.16 3.13 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 47 E 8.31 3.84 0.00 2.10 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 2.46 2.57 0.00 48 E 8.00 3.88 0.00 2.11 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 2.25 2.26 0.00 49 L 8.05 3.80 0.00 1.74 1.63 0.94 0.43 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 50 K 7.46 3.65 0.00 1.04 1.62 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.32 7.81 51 A 7.92 4.20 1.31 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 0.00 0.00 0.00 52 G 8.20 3.72 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 0.00 0.00 0.00 53 L 7.87 4.00 0.00 1.67 1.90 0.90 0.73 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 54 K 8.01 4.05 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.64 7.81 55 R 7.55 3.98 0.00 1.83 2.01 0.00 3.21 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 56 V 7.55 4.57 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 0.73 0.00 0.00 0.96 0.00 0.00 57 G 8.23 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 58 A 8.14 4.59 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 59 N 8.63 4.79 0.00 2.72 2.79 0.00 0.00 7.04 7.85 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 60 L 7.91 4.92 0.00 1.61 1.57 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.51 4.32 0.00 2.04 1.94 0.00 1.35 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.45 7.81 62 E 8.82 3.97 0.00 2.14 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 0.00 2.45 2.55 0.00 63 S 8.12 4.21 0.00 4.10 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 64 E 8.14 4.01 0.00 2.21 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 2.41 2.41 0.00 65 I 7.65 3.76 2.11 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 1.51 0.68 0.81 0.00 0.00 66 L 7.93 4.29 0.00 1.82 1.74 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.26 4.58 0.00 2.91 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 68 L 7.88 4.18 0.00 1.84 1.83 0.89 0.58 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 *70 Q 8.01 4.16 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 71 A 8.13 4.10 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 72 A 8.28 4.10 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 73 D 7.80 4.70 0.00 2.78 2.61 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 74 V 7.79 3.60 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 0.93 0.00 0.00 75 D 8.18 4.66 0.00 2.87 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 76 N 8.02 4.34 0.00 2.91 2.95 0.00 0.00 6.92 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 77 S 8.53 4.28 0.00 4.03 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 0.00 78 G 9.51 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 0.00 0.00 0.00 79 T 7.75 4.95 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 1.25 0.00 0.00 80 I 8.85 4.81 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 1.19 0.00 0.00 81 D 9.17 5.04 0.00 2.88 3.11 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 0.00 0.00 0.00 82 Y 8.46 3.21 0.00 2.06 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 83 K 7.89 3.65 0.00 1.85 1.73 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.42 7.81 84 E 9.12 3.97 0.00 2.22 2.20 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 2.34 2.54 0.00 85 F 8.15 4.12 0.00 3.39 3.34 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 86 I 7.68 3.67 1.73 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.27 0.77 0.00 0.00 87 A 7.96 3.91 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 88 A 8.04 3.99 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 89 T 7.34 3.85 4.27 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 0.65 0.00 0.00 90 L 7.31 3.99 0.00 1.44 1.61 0.81 0.93 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 91 H 6.86 4.65 0.00 3.47 3.12 0.00 5.66 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 92 L 8.17 4.31 0.00 1.63 1.64 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.60 4.90 0.00 2.75 2.69 0.00 0.00 7.01 6.98 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 94 K 8.41 4.12 0.00 1.74 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 95 I 7.59 4.01 1.77 0.00 0.00 0.54 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 0.35 0.91 0.00 0.00 96 E 7.72 4.84 0.00 2.06 2.17 0.00 0.00 0.00 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 2.32 0.00 97 R 7.34 3.94 0.00 2.02 2.02 0.00 3.29 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 98 E 7.90 4.83 0.00 2.26 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 2.46 0.00 99 D 7.99 4.56 0.00 2.67 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 0.00 100 H 8.13 4.37 0.00 3.28 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.15 4.27 0.00 1.97 2.16 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.01 3.92 0.00 3.26 3.03 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 0.00 103 A 8.53 4.21 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 0.00 104 A 8.30 3.94 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 0.00 0.00 0.00 0.00 0.00 105 F 8.25 3.42 0.00 2.55 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 0.00 106 T 7.97 3.81 4.46 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 1.37 0.00 0.00 107 Y 7.45 3.91 0.00 2.76 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 0.00 108 F 7.40 4.29 0.00 2.92 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 0.00 109 D 7.27 4.42 0.00 2.04 2.29 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 0.00 110 K 7.77 3.83 0.00 1.69 1.78 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.43 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.31 7.81 111 D 8.39 4.30 0.00 2.93 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 0.00 112 G 8.32 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 0.00 113 S 7.93 4.20 0.00 4.14 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 0.00 114 G 9.49 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 0.00 115 Y 7.54 5.16 0.00 2.86 2.88 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 0.00 0.00 0.00 0.00 116 I 8.90 4.40 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.08 0.81 0.00 0.00 117 T 8.84 4.80 4.23 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 1.22 0.00 0.00 118 P 0.00 4.22 0.00 2.16 2.15 0.00 3.59 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 2.11 2.15 0.00 119 D 8.04 4.33 0.00 2.85 2.91 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 0.00 120 E 7.55 4.05 0.00 2.25 2.16 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 2.29 2.31 0.00 121 L 8.02 4.15 0.00 1.79 1.69 0.88 0.99 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 0.00 122 Q 8.17 4.27 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 123 Q 7.64 4.39 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 *140 R 7.55 4.38 0.00 1.89 2.04 0.00 3.11 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 141 D 8.11 4.17 0.00 2.65 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 0.00 142 V 7.15 3.89 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 0.92 0.00 0.00 143 D 7.70 4.68 0.00 2.78 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 0.00 144 Q 8.35 4.06 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.60 2.29 0.00 145 D 8.33 4.59 0.00 2.87 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 0.00 146 N 7.82 4.21 0.00 2.86 2.95 0.00 0.00 6.87 7.94 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 0.00 147 D 7.86 4.59 0.00 2.75 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 0.00 148 G 9.42 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 0.00 149 R 8.10 4.86 0.00 1.90 1.85 0.00 2.40 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 150 I 8.87 4.80 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 1.15 0.00 0.00 151 D 9.47 5.10 0.00 2.73 3.08 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 0.00 0.00 0.00 0.00 152 Y 8.27 3.08 0.00 2.02 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 0.00 153 N 8.07 4.08 0.00 2.88 2.81 0.00 0.00 7.11 7.66 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 0.00 154 E 8.96 4.02 0.00 2.12 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 2.37 2.47 0.00 155 F 7.93 4.33 0.00 3.15 3.13 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 0.00 156 V 7.44 3.51 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 0.77 0.00 0.00 0.26 0.00 0.00 157 A 7.42 4.16 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 *160 Q 7.92 4.00 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.