NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5015 8.2893 120.3260 55.5586 33.3978 174.2658 2 R 4.3852 7.9590 116.6095 53.8453 32.2349 172.7594 3 L 4.2236 9.1049 122.5784 54.7488 43.4666 177.4739 4 L 4.4351 8.5698 126.7448 56.9358 42.6204 176.3369 5 H 5.6878 7.4416 109.8127 56.2470 31.4196 172.3373 6 T 4.5874 8.3132 114.8933 61.9181 71.3758 172.7695 7 M 4.7899 8.5569 126.0291 53.8674 34.1262 174.8655 8 L 4.4813 8.3317 125.1722 52.7777 45.5135 175.7434 9 R 4.6654 8.3840 122.1999 55.5535 30.9438 176.2105 10 V 4.7486 8.8959 116.7685 59.6127 34.4819 176.3804 11 G 3.8286 9.9966 111.0373 46.9043 0.0000 173.4244 12 D 4.0650 7.9084 119.3859 51.9064 43.3452 174.6794 13 L 3.9174 8.0237 129.2112 58.5903 42.1355 178.4609 14 Q 3.9363 7.8912 118.5870 59.2173 29.1125 177.9913 15 R 3.9632 8.4282 119.7076 59.6510 29.9590 178.7563 16 S 4.3173 8.2259 114.8886 61.5797 62.8199 176.5139 17 I 3.8163 8.1040 122.7461 64.6653 36.9210 177.9470 18 D 4.4129 8.7156 119.8532 57.4943 40.6700 178.8182 19 F 4.0486 8.1545 120.6291 61.6654 39.3840 176.7002 20 Y 3.9385 8.5017 116.8520 61.3836 37.7170 178.5190 21 T 4.8208 8.2320 112.3433 63.8971 69.0503 177.1513 22 K 3.9229 8.1782 122.4275 58.3166 32.6164 178.8942 23 V 3.6804 7.5332 116.7894 65.1363 31.6693 176.6883 24 L 4.1173 7.3372 116.4451 54.9045 41.8149 177.8259 25 G 3.9851 8.0779 106.9941 45.5854 0.0000 173.4157 26 M 4.2510 8.0598 120.4213 54.4572 34.1978 175.0486 27 K 4.9446 8.6134 118.4601 54.4870 35.9556 175.8174 28 L 4.3867 8.4379 125.3907 54.9807 41.9151 176.3131 29 L 4.4268 9.1166 128.2604 57.2582 42.4288 177.3747 30 R 4.5766 7.5418 111.8512 56.1180 32.0933 173.5680 31 T 5.4677 8.4033 115.7176 62.6148 73.0542 172.9526 32 S 4.7614 8.9810 115.9182 57.9393 66.6012 173.6308 33 E 5.1524 8.7799 119.3109 54.8151 33.3949 175.5899 34 N 4.5126 8.8760 120.9458 50.9995 40.0901 172.9819 35 P 4.1937 0.0000 0.0000 65.2731 31.9542 177.7517 36 E 3.7544 8.1000 117.3869 59.4063 29.2948 177.1988 37 Y 4.3221 7.4838 112.1218 57.3032 39.2201 175.1253 38 K 2.0000 7.6567 119.7390 55.8510 29.6109 173.7611 39 Y 4.8231 5.3700 115.9416 55.8336 42.0916 175.5608 40 S 5.3955 9.9407 116.2992 56.9900 67.2036 173.1844 41 L 5.4777 9.6297 122.3394 53.1520 46.0112 175.4580 42 A 5.0972 8.7858 122.2959 50.5990 23.0297 174.9551 43 F 4.9203 9.4440 121.6059 55.8186 41.3250 175.4087 44 V 4.8662 8.5851 117.2454 59.8474 35.4934 175.1299 45 G 3.9881 8.2945 109.1894 46.6802 0.0000 173.1613 46 Y 4.6385 8.7328 115.9590 58.4977 38.6421 175.5361 47 G 4.2593 7.8250 106.3922 44.0796 0.0000 170.7668 48 P 4.3594 0.0000 0.0000 62.6472 31.5092 177.4318 49 E 4.1916 8.8117 120.6282 59.6554 29.5753 178.7086 50 T 4.0401 7.9171 107.8023 63.5910 69.1061 174.7872 51 E 4.5316 8.0180 120.2789 56.4805 31.5042 175.1977 52 E 4.6995 7.6282 114.6550 54.2164 32.8319 173.7518 53 A 4.5554 8.3484 121.0731 52.4155 19.4795 177.2467 54 V 4.5280 8.7048 113.0767 60.1911 36.9126 173.6877 55 I 4.7072 8.8491 121.5123 59.9252 39.7803 174.7074 56 E 4.0119 8.7265 128.2402 54.3147 31.2084 174.2684 57 L 4.8994 8.6805 128.1385 53.4215 44.1554 175.6748 58 T 4.9582 8.5605 120.1014 61.8018 71.7116 172.4076 59 Y 5.1317 9.4322 127.6378 55.9358 41.6596 173.9504 60 N 4.7927 7.9688 122.1577 51.4166 40.0881 175.0302 61 W 4.4018 7.9980 124.5910 58.9181 29.4346 176.8348 62 G 3.9536 9.2901 112.0416 45.1222 0.0000 172.8087 63 V 4.1583 7.7075 120.1808 61.1373 32.2528 174.7114 64 D 5.1802 8.4307 124.6374 51.9543 40.1057 175.2024 65 K 4.5362 7.1784 119.0776 55.6564 35.0228 173.8872 66 Y 4.6703 8.1731 121.0540 56.3097 42.1347 174.4207 67 E 4.4944 8.5493 119.9090 54.7429 29.9666 177.2016 68 L 3.7545 8.5722 127.1850 56.0036 42.4101 177.9829 69 G 3.9672 7.4481 104.3483 45.0383 0.0000 172.8178 70 T 4.5079 8.2613 105.5338 61.1877 69.6896 174.9921 71 A 4.1223 8.0682 125.2512 55.2606 19.0108 177.5019 72 Y 4.1439 8.0714 115.6112 57.9708 38.7281 174.9999 73 G 3.4145 6.9544 116.9422 45.3137 0.0000 174.8800 74 H 4.5171 6.2857 116.0189 54.5755 31.9794 173.0197 75 I 4.7683 8.1364 117.6853 59.6255 40.3453 174.7845 76 A 5.2384 8.7712 127.8220 50.3435 20.9724 175.9663 77 L 5.0327 8.9663 121.6281 52.6084 45.8071 176.4442 78 S 4.8576 8.6902 117.2101 58.2611 64.4571 173.6792 79 V 4.3647 8.6128 121.5850 60.0819 33.7581 176.4301 80 D 4.1812 8.8904 124.0966 56.9529 41.0226 176.7651 81 N 4.8511 7.7615 118.6449 50.7293 40.8905 174.0861 82 A 3.9313 9.9761 131.6633 55.0214 18.6943 178.7853 83 A 3.9129 7.9972 118.5796 55.3838 18.4981 179.2087 84 E 3.8359 8.5517 117.4167 59.4111 29.7236 178.7090 85 A 3.9767 8.2411 120.9908 55.5597 18.4242 179.3282 86 C 4.1422 8.2436 115.0615 62.9255 28.1557 176.3137 87 E 3.9013 8.0148 119.8355 59.3085 28.9141 179.0520 88 K 3.8477 8.1126 118.5359 59.7314 32.4694 178.3873 89 I 3.8996 8.3025 120.1048 64.3454 36.8349 178.0883 90 R 3.9416 8.2535 118.5083 59.7206 30.0106 177.8257 91 Q 4.4066 7.9814 113.6797 56.1265 29.4143 175.6009 92 N 5.0333 8.3708 118.0526 52.8134 39.4375 175.5833 93 G 3.9390 8.8715 107.1880 44.9380 0.0000 173.6806 94 G 4.1683 7.7258 105.8963 44.8725 0.0000 172.4049 95 N 5.2215 8.4041 115.4305 51.2703 42.1234 174.4162 96 V 4.6694 8.4469 122.8109 61.8951 32.1305 175.3464 97 T 4.3559 8.9736 119.0588 62.7547 70.2117 175.2396 98 R 4.4338 7.9143 123.2267 55.1428 32.1513 173.7524 99 E 4.4422 8.9973 125.8702 56.3880 30.3841 177.1973 100 A 4.3172 8.8144 124.2340 51.9376 19.0794 177.3204 101 G 4.1197 8.7230 110.3512 45.0630 0.0000 170.4459 102 P 4.7733 0.0000 0.0000 62.7951 32.0948 177.0107 103 V 3.8687 8.8887 123.2337 60.6573 32.2798 175.5810 104 K 4.0517 8.5418 122.4455 57.9694 32.1956 176.6353 105 G 3.9262 9.4944 114.3963 46.0794 0.0000 172.9666 106 G 4.1395 7.8277 108.3059 44.8189 0.0000 172.8688 107 T 4.4782 8.2478 106.5109 61.9313 70.9503 174.5732 108 T 3.9301 7.8199 119.7074 63.7516 69.6631 173.5516 109 V 4.3222 8.4596 127.0945 62.5962 32.9850 174.7577 110 I 5.2695 8.7902 120.2594 59.6240 41.7052 173.6113 111 A 5.0692 8.4458 122.4333 51.1358 23.1732 175.1741 112 F 5.1801 9.0767 117.3679 55.9967 43.0163 175.0693 113 V 5.2040 9.0126 115.0407 60.0380 36.5260 173.7111 114 E 5.3416 8.9825 120.0425 54.7504 33.1276 176.7666 115 D 3.5491 8.9488 124.1465 51.4551 40.7892 175.2932 116 P 3.9915 0.0000 0.0000 65.3168 31.1578 177.2239 117 D 4.5301 8.3632 115.7548 53.9945 40.9263 177.3064 118 G 3.8967 8.1525 108.1520 45.0500 0.0000 173.5603 119 Y 4.4716 7.7492 117.9474 57.7262 38.9651 175.0975 120 K 4.7850 9.0910 125.0893 56.4432 34.0566 175.3893 121 I 5.0843 9.1618 127.7186 59.5974 40.8806 173.7961 122 E 3.9411 9.2621 129.0484 54.5844 31.3526 174.4370 123 L 5.0833 8.8170 127.4656 53.0600 44.3959 175.3758 124 I 4.4994 8.6059 125.5528 59.4275 39.7107 175.0065 125 E 4.9702 8.7165 130.2103 53.9327 27.6670 177.2242 126 E 4.2098 8.1820 121.6790 55.5733 29.6546 176.6451 *134 G 4.0035 8.7091 107.0494 45.8527 0.0000 172.5106 135 N 4.5461 8.0313 120.5908 52.4611 37.5226 174.2956 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 1 M 8.29 4.50 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.96 4.39 0.00 1.95 1.84 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 3 L 9.10 4.22 0.00 1.63 1.64 0.93 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 4 L 8.57 4.44 0.00 1.58 1.72 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.44 5.69 0.00 3.23 3.34 0.00 5.08 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 6 T 8.31 4.59 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 1.14 0.00 0.00 7 M 8.56 4.79 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 8 L 8.33 4.48 0.00 1.17 0.62 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.38 4.67 0.00 0.72 0.91 0.00 2.60 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 10 V 8.90 4.75 2.43 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 0.86 0.00 0.00 1.16 0.00 0.00 11 G 10.00 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 0.00 0.00 0.00 12 D 7.91 4.07 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.92 0.00 1.82 1.59 1.01 0.93 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 14 Q 7.89 3.94 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 15 R 8.43 3.96 0.00 1.92 2.17 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 16 S 8.23 4.32 0.00 4.17 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 17 I 8.10 3.82 2.06 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 1.57 1.01 0.96 0.00 0.00 18 D 8.72 4.41 0.00 2.92 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 19 F 8.15 4.05 0.00 3.18 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 20 Y 8.50 3.94 0.00 3.16 2.98 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 0.00 0.00 0.00 21 T 8.23 4.82 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 1.29 0.00 0.00 22 K 8.18 3.92 0.00 1.85 1.90 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.48 7.81 23 V 7.53 3.68 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 0.42 0.00 0.00 0.80 0.00 0.00 24 L 7.34 4.12 0.00 1.77 1.75 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.08 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 0.00 0.00 0.00 26 M 8.06 4.25 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.94 0.00 27 K 8.61 4.94 0.00 1.67 1.67 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.37 7.81 28 L 8.44 4.39 0.00 1.67 1.61 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.12 4.43 0.00 1.65 1.71 0.95 0.83 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 30 R 7.54 4.58 0.00 1.83 1.95 0.00 2.72 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 31 T 8.40 5.47 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 1.34 0.00 0.00 32 S 8.98 4.76 0.00 3.90 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 33 E 8.78 5.15 0.00 1.92 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 0.00 2.36 2.38 0.00 34 N 8.88 4.51 0.00 1.96 1.42 0.00 0.00 7.32 7.73 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 35 P 0.00 4.19 0.00 2.08 2.24 0.00 3.68 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 2.05 2.19 0.00 36 E 8.10 3.75 0.00 1.69 1.65 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 1.47 1.88 0.00 37 Y 7.48 4.32 0.00 3.14 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 38 K 7.66 2.00 0.00 1.73 1.56 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.23 7.81 39 Y 5.37 4.82 0.00 3.00 2.93 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 40 S 9.94 5.40 0.00 4.17 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 41 L 9.63 5.48 0.00 1.70 1.45 1.24 0.41 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 42 A 8.79 5.10 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 43 F 9.44 4.92 0.00 2.99 2.98 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 0.00 0.00 0.00 44 V 8.59 4.87 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 0.77 0.00 0.00 0.69 0.00 0.00 45 G 8.29 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 0.00 0.00 0.00 46 Y 8.73 4.64 0.00 3.15 2.97 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 47 G 7.83 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 0.00 0.00 0.00 0.00 48 P 0.00 4.36 0.00 2.31 2.20 0.00 3.48 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 49 E 8.81 4.19 0.00 1.92 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 0.00 2.32 2.27 0.00 50 T 7.92 4.04 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 1.19 0.00 0.00 51 E 8.02 4.53 0.00 1.99 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 0.00 2.25 2.21 0.00 52 E 7.63 4.70 0.00 2.13 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 0.00 2.43 2.35 0.00 53 A 8.35 4.56 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 54 V 8.70 4.53 2.34 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 0.83 0.00 0.00 1.14 0.00 0.00 55 I 8.85 4.71 1.49 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.55 0.54 0.00 0.00 56 E 8.73 4.01 0.00 1.25 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.47 0.00 57 L 8.68 4.90 0.00 1.50 1.50 0.87 0.30 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 58 T 8.56 4.96 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 1.04 0.00 0.00 59 Y 9.43 5.13 0.00 3.12 3.01 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 60 N 7.97 4.79 0.00 2.70 2.66 0.00 0.00 6.55 7.55 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 61 W 8.00 4.40 0.00 3.36 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 62 G 9.29 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 63 V 7.71 4.16 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 0.28 0.00 0.00 0.85 0.00 0.00 64 D 8.43 5.18 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 65 K 7.18 4.54 0.00 1.61 1.54 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.46 7.81 66 Y 8.17 4.67 0.00 2.92 2.84 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 67 E 8.55 4.49 0.00 2.07 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 2.29 0.00 68 L 8.57 3.75 0.00 1.53 1.71 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.45 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 70 T 8.26 4.51 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 71 A 8.07 4.12 1.35 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 72 Y 8.07 4.14 0.00 2.96 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 73 G 6.95 3.41 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 0.00 74 H 6.29 4.52 0.00 3.34 3.33 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.14 4.77 2.04 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 1.26 0.94 1.01 0.00 0.00 76 A 8.77 5.24 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 77 L 8.97 5.03 0.00 1.59 1.65 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.69 4.86 0.00 3.80 3.81 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 79 V 8.61 4.36 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 0.71 0.00 0.00 0.90 0.00 0.00 80 D 8.89 4.18 0.00 2.64 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 81 N 7.76 4.85 0.00 2.66 2.62 0.00 0.00 7.04 8.22 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 82 A 9.98 3.93 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 83 A 8.00 3.91 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 84 E 8.55 3.84 0.00 2.11 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 2.30 2.47 0.00 85 A 8.24 3.98 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 86 C 8.24 4.14 0.00 3.17 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 87 E 8.01 3.90 0.00 2.18 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 2.50 2.46 0.00 88 K 8.11 3.85 0.00 1.68 1.91 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 89 I 8.30 3.90 2.09 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 0.40 1.11 0.00 0.00 90 R 8.25 3.94 0.00 1.95 2.13 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 91 Q 7.98 4.41 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.19 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 92 N 8.37 5.03 0.00 2.83 2.80 0.00 0.00 7.13 7.25 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 93 G 8.87 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 94 G 7.73 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.40 5.22 0.00 2.66 2.70 0.00 0.00 6.98 7.56 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 96 V 8.45 4.67 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 0.92 0.00 0.00 1.00 0.00 0.00 97 T 8.97 4.36 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 1.29 0.00 0.00 98 R 7.91 4.43 0.00 1.99 2.17 0.00 3.54 0.00 0.00 3.49 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 99 E 9.00 4.44 0.00 1.91 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 2.35 2.31 0.00 100 A 8.81 4.32 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 0.00 101 G 8.72 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.77 0.00 1.95 2.16 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 103 V 8.89 3.87 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 0.73 0.00 0.00 0.97 0.00 0.00 104 K 8.54 4.05 0.00 1.75 1.79 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 105 G 9.49 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 0.00 106 G 7.83 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 0.00 0.00 0.00 107 T 8.25 4.48 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 0.00 108 T 7.82 3.93 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 1.20 0.00 0.00 109 V 8.46 4.32 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 1.00 0.00 0.00 0.97 0.00 0.00 110 I 8.79 5.27 1.76 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.93 0.00 0.00 111 A 8.45 5.07 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 0.00 112 F 9.08 5.18 0.00 3.01 2.93 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 0.00 113 V 9.01 5.20 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 0.81 0.00 0.00 1.07 0.00 0.00 114 E 8.98 5.34 0.00 1.89 1.77 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 2.39 2.28 0.00 115 D 8.95 3.55 0.00 2.06 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 0.00 116 P 0.00 3.99 0.00 1.98 2.04 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 117 D 8.36 4.53 0.00 2.61 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 0.00 118 G 8.15 3.90 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 0.00 0.00 0.00 119 Y 7.75 4.47 0.00 3.42 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 0.00 120 K 9.09 4.79 0.00 1.99 2.02 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.82 1.72 7.81 121 I 9.16 5.08 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 1.06 0.00 0.00 122 E 9.26 3.94 0.00 1.30 1.53 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 1.81 1.47 0.00 123 L 8.82 5.08 0.00 1.49 1.49 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.61 4.50 1.82 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 1.00 0.58 0.88 0.00 0.00 125 E 8.72 4.97 0.00 2.00 1.90 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 2.28 2.25 0.00 126 E 8.18 4.21 0.00 1.95 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 2.30 2.31 0.00 *134 G 8.71 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 0.00 135 N 8.03 4.55 0.00 2.81 2.77 0.00 0.00 5.85 7.56 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 * Residues marked with a * may have inaccurate shift predictions.