NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 I 4.1208 8.1245 118.5440 59.7271 37.5970 176.5311 *8 M 4.4878 7.7204 115.8958 54.6181 31.4223 181.6067 9 R 4.4949 8.5918 119.8440 57.6358 30.5235 176.5679 10 H 4.8494 8.9853 112.7642 55.0547 28.7297 174.6260 11 L 4.4198 7.6160 119.0791 53.9894 42.7905 176.5332 12 P 4.5995 0.0000 0.0000 63.1981 32.5272 174.9433 13 Y 4.6604 8.5107 122.4341 55.8990 41.0166 174.4500 14 F 4.7649 7.5809 124.7165 55.8677 41.5502 174.5394 15 C 4.7085 7.9111 113.7560 57.9205 32.9322 172.8066 16 R 5.2540 8.6453 118.5166 54.8193 33.3247 175.1873 17 G 3.3387 8.5804 107.0969 44.6187 0.0000 171.9604 18 Q 4.7469 8.5039 123.8196 55.4899 30.3933 175.4950 19 V 4.2309 9.0119 127.1405 62.9752 32.4727 175.3089 20 V 4.9416 8.5749 120.8575 59.0063 35.2730 175.8672 21 R 4.1319 8.6203 120.8785 56.4790 30.9972 177.6226 22 G 4.2035 8.2253 111.4095 45.2814 0.0000 173.7990 23 F 4.2275 8.8530 119.5712 57.6416 39.6457 175.1341 24 G 3.8164 8.0878 107.9310 47.2350 0.0000 174.5695 25 R 4.4242 7.8367 118.4169 56.7040 32.6790 178.6550 26 G 3.6875 7.8240 106.0497 48.2677 0.0000 175.3822 27 S 3.9939 8.0452 114.4362 60.5175 62.9724 176.2067 28 K 3.8846 8.2542 119.5475 59.3235 32.0072 177.1757 29 Q 4.3970 8.4912 115.7035 57.0131 29.6127 176.5941 30 L 4.3078 7.8724 114.7003 53.8280 42.6959 177.2393 31 G 3.9113 8.2100 106.1316 45.9778 0.0000 174.3721 32 I 4.3515 7.7295 121.6793 57.7340 37.9450 172.7227 33 P 4.7224 0.0000 0.0000 62.8866 32.1292 175.9729 34 T 4.8779 8.1977 110.6480 59.8910 71.8403 172.8577 35 A 4.1623 9.5205 128.2603 51.3719 20.0841 175.8147 36 N 5.2164 8.5739 120.1414 51.8789 40.9509 174.8421 37 F 5.5539 8.5294 121.7409 56.0233 40.7491 174.2193 38 P 4.4838 0.0000 0.0000 62.1550 32.1084 177.3055 39 E 3.9434 8.9096 121.3713 59.7439 29.0932 179.0910 40 Q 3.9803 8.0350 118.2666 59.1655 28.8828 178.1841 41 V 3.6715 7.8063 119.2719 65.7564 31.5847 178.1921 42 V 3.6189 7.7212 117.4643 66.2998 31.3501 177.6528 43 D 4.4414 8.3441 116.7785 56.6574 40.7663 176.8912 44 N 4.7418 7.5779 114.2945 52.8569 38.8936 175.4474 45 L 4.1117 7.5132 119.1021 53.8029 42.4007 175.4483 46 P 4.2427 0.0000 0.0000 62.4407 32.0078 177.4645 47 A 3.9763 8.6463 125.2034 55.3602 18.4047 178.9737 48 D 4.3392 8.0177 113.5293 55.8907 39.3775 176.5366 49 I 3.8064 7.1464 120.5264 60.8683 36.5474 176.1241 50 S 4.4630 7.9729 121.3685 58.0186 63.4089 174.6944 51 T 4.2968 8.3385 112.4526 61.0666 69.6439 175.2832 52 G 4.1609 7.9683 110.4386 45.3476 0.0000 170.4904 53 I 4.9700 8.0402 120.9423 59.9523 39.1932 175.1983 54 Y 5.3094 9.4483 124.1337 56.2260 42.4492 173.7347 55 Y 5.1232 8.4882 117.7418 55.2828 41.9801 175.9610 56 G 3.9090 7.6715 105.7837 45.8713 0.0000 171.6853 57 W 5.5398 7.4767 118.2683 55.4784 32.5082 175.1355 58 A 5.9400 9.0205 121.3825 52.3843 22.7659 175.6029 59 S 4.9855 8.7780 113.5337 56.7404 67.2955 172.9168 60 V 4.2759 8.4718 122.2524 60.8976 32.7461 175.4842 61 G 3.8061 9.0151 119.5129 47.2852 0.0000 174.1819 62 S 4.7963 8.7318 115.4613 57.6934 63.3320 174.4611 63 G 3.9275 7.6528 111.6252 45.6586 0.0000 173.6980 64 D 4.5679 8.1483 118.5071 53.7230 41.9991 176.5093 65 V 4.0449 7.8316 120.4599 62.7376 32.4481 174.7629 66 H 5.2958 9.3757 123.9029 53.5812 33.3533 173.1485 67 K 4.5548 8.8016 118.9780 57.2347 33.4445 175.7901 68 M 5.0178 8.3241 117.9295 55.0453 35.0744 173.7003 69 V 5.0790 8.7239 112.2790 59.5873 36.1353 175.4111 70 V 5.0470 8.9682 122.6610 60.0956 35.0033 174.1140 71 S 5.2544 9.2647 118.8915 56.8658 65.7279 173.1826 72 I 4.7225 9.4708 123.6894 61.1216 39.7253 174.8190 73 G 3.7796 7.4691 116.8304 45.9628 0.0000 172.0511 74 W 4.6873 8.9018 121.2677 55.7770 30.3486 174.7071 75 N 4.8476 9.6560 117.1920 52.9103 35.3737 172.7018 76 P 4.2461 0.0000 0.0000 65.8338 32.2390 177.5849 77 Y 4.4480 8.1725 117.3728 59.8975 38.7889 175.8737 78 Y 4.2083 8.1224 114.2193 57.2322 39.2491 175.0788 79 K 3.8907 8.0858 118.8716 57.4852 29.8988 175.3542 80 N 4.6981 8.3383 115.0893 53.6640 39.7486 176.5972 81 T 4.2314 8.7883 118.3148 66.0316 69.0396 175.4663 82 K 4.7423 7.9711 119.3681 54.3173 33.6668 176.1863 83 K 3.2799 8.5813 125.0172 56.4110 32.8411 175.6132 84 S 4.8170 9.0715 120.5819 56.6614 67.4834 172.4086 85 M 5.1456 8.4177 118.4774 53.9928 35.1938 173.4608 86 E 5.0517 9.2226 126.0575 54.8327 33.3223 174.9777 87 T 4.9362 8.7804 121.8270 61.9752 71.2880 172.7839 88 H 5.2575 9.4834 126.9716 54.5157 31.9303 172.9866 89 I 4.4955 8.2493 126.9810 60.6546 38.2419 176.9582 90 M 4.4331 8.7062 128.4368 53.6751 29.8366 174.8196 91 H 4.3769 7.9444 117.9711 55.2435 33.0858 172.9474 92 T 4.4231 7.6946 122.1251 62.1310 69.2736 174.3508 93 F 4.8404 8.7271 125.4046 55.5541 41.2576 176.2255 94 K 4.2403 8.8195 122.6130 58.9574 33.0546 176.8680 95 E 4.8724 7.8882 116.0112 53.7237 33.0771 175.1636 96 D 4.4746 8.5412 120.2008 54.4731 41.6546 176.2505 97 F 4.9992 7.0022 114.7943 56.2504 38.4548 174.8231 98 Y 4.2863 7.7644 118.5955 60.9136 38.1447 176.9769 99 G 4.0850 9.4747 113.4642 45.2797 0.0000 173.6474 100 E 4.4232 8.0126 119.0448 56.0125 31.4251 175.7977 101 I 4.6181 8.2245 122.2889 60.5268 39.0269 174.5417 102 L 4.9278 9.5144 130.3745 54.0740 43.7909 174.7073 103 N 5.4229 9.4804 124.8273 52.0620 40.5040 174.3886 104 V 5.3598 9.5288 123.2111 61.1687 35.9502 174.2234 105 A 4.5207 9.0674 127.1983 50.1093 21.9474 175.1442 106 I 4.1465 8.6510 124.5762 61.6035 37.7130 177.2747 107 V 3.9874 8.0086 119.8879 61.4860 33.8625 176.2150 108 G 3.5706 6.8472 105.6818 44.7475 0.0000 171.1116 109 Y 4.5421 8.4972 122.6000 56.4069 40.2118 175.0839 110 L 4.4383 7.8520 126.9583 55.5077 43.0559 176.6133 111 R 4.1713 6.2858 112.2186 54.8324 32.5498 171.2671 112 P 5.1218 0.0000 0.0000 60.5021 33.2815 175.6060 113 E 4.2300 8.7088 119.1202 56.7788 29.9283 176.4815 114 K 4.6771 8.2056 119.5083 55.0942 36.4988 175.0328 115 N 4.9157 8.0023 117.7877 52.2856 40.6763 173.3705 116 F 5.0282 8.3841 119.5435 55.8090 43.0930 174.7006 117 D 4.6968 8.8608 120.5917 54.7842 40.2105 176.7170 118 S 4.7560 7.6638 113.6806 56.4189 66.6140 175.3464 119 L 3.5862 8.4525 122.6361 57.6437 41.2270 179.4479 120 E 3.8069 8.0113 118.7816 59.4747 29.6813 178.8288 121 S 3.9927 7.8517 115.0378 61.3930 62.8273 176.6116 122 L 2.4400 7.2451 122.6882 57.5979 41.7896 178.8875 123 I 3.4995 7.5580 120.0527 64.5309 36.9715 178.3154 124 S 4.0237 8.0411 113.6366 61.2015 62.0681 176.1166 125 A 3.9014 7.6736 123.4813 55.1731 18.1333 179.6504 126 I 3.9718 7.8350 120.1175 64.0179 37.1455 178.3689 127 Q 4.0207 8.5619 120.9195 59.1168 28.8395 178.6477 128 G 3.5895 8.1869 106.8811 47.9368 0.0000 175.3901 129 D 4.3506 8.2966 121.6552 57.0258 40.8227 178.8394 130 I 3.6945 7.8416 120.2972 64.4204 37.1363 178.3341 131 E 3.8460 8.0452 119.1274 59.4382 29.3199 178.8097 132 E 3.7914 8.1555 119.0364 59.2839 29.4944 178.7214 133 A 3.4399 8.3035 120.8494 55.0804 18.2455 179.4686 134 K 3.6983 8.0346 115.9156 59.7352 32.3424 179.4369 135 K 4.0788 7.8874 118.2849 59.5988 32.2017 179.6366 136 R 3.9179 7.8744 118.2607 59.2488 29.7448 178.8639 137 L 4.2961 7.7528 117.2698 56.8019 41.5704 178.6267 138 E 4.3676 8.1517 118.1874 56.9626 29.8009 176.7915 139 L 3.9311 7.7954 122.2865 54.7175 42.6968 175.5697 140 P 4.2674 0.0000 0.0000 66.4669 30.5971 177.8252 141 E 3.9563 8.1005 117.2806 59.3769 29.8120 178.0231 142 Y 4.8953 8.1501 116.9133 61.0897 38.1919 177.8350 143 L 4.3014 8.3901 119.7978 57.5948 41.2469 179.3891 144 K 3.9181 8.2345 118.9373 60.2236 32.2834 178.8894 145 I 4.0621 7.7644 120.5756 64.3813 36.9226 177.9279 146 K 3.1515 7.2116 118.5673 58.3700 31.7986 177.4824 147 E 4.3338 8.9173 117.1213 55.3701 30.6588 175.5850 148 D 4.4822 7.7769 119.8065 54.5507 42.1366 176.7905 149 N 4.2542 8.9355 122.5401 56.9920 38.5007 176.5817 150 F 3.8375 8.8741 121.6707 61.2605 39.4601 176.5754 151 F 4.7334 8.2586 117.6200 58.7332 38.8946 178.1695 152 Q 4.0543 7.9529 117.5378 58.7420 28.3245 178.4400 153 V 3.4420 7.6246 118.3232 65.3314 31.6819 177.7665 154 S 4.1244 7.6155 115.3042 60.7974 62.4424 174.4931 155 K 4.1478 7.4047 123.7663 56.8360 32.6219 176.0707 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 I 8.12 4.12 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 1.27 1.21 0.91 0.00 0.00 *8 M 7.72 4.49 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.19 0.00 9 R 8.59 4.49 0.00 1.72 1.95 0.00 3.16 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 10 H 8.99 4.85 0.00 3.18 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.62 4.42 0.00 1.52 1.78 1.02 1.12 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 12 P 0.00 4.60 0.00 1.34 1.91 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 13 Y 8.51 4.66 0.00 2.95 2.68 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 14 F 7.58 4.76 0.00 2.03 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 0.00 0.00 0.00 15 C 7.91 4.71 0.00 2.85 2.65 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 16 R 8.65 5.25 0.00 1.62 1.82 0.00 3.16 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 17 G 8.58 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 0.00 0.00 0.00 18 Q 8.50 4.75 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 19 V 9.01 4.23 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 0.47 0.00 0.00 1.22 0.00 0.00 20 V 8.57 4.94 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 0.81 0.00 0.00 1.05 0.00 0.00 21 R 8.62 4.13 0.00 1.67 1.71 0.00 3.00 0.00 0.00 2.68 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.00 22 G 8.23 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 23 F 8.85 4.23 0.00 2.98 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 24 G 8.09 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 25 R 7.84 4.42 0.00 1.66 1.74 0.00 2.47 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 26 G 7.82 3.69 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 0.00 0.00 0.00 27 S 8.05 3.99 0.00 3.86 3.87 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 28 K 8.25 3.88 0.00 1.84 1.86 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 29 Q 8.49 4.40 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 30 L 7.87 4.31 0.00 1.81 1.65 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.21 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 32 I 7.73 4.35 1.77 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 1.25 1.03 0.57 0.00 0.00 33 P 0.00 4.72 0.00 2.01 2.03 0.00 3.73 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 2.10 2.02 0.00 34 T 8.20 4.88 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 1.27 0.00 0.00 35 A 9.52 4.16 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 36 N 8.57 5.22 0.00 2.92 2.73 0.00 0.00 7.11 8.13 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 37 F 8.53 5.55 0.00 2.94 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 38 P 0.00 4.48 0.00 2.18 1.98 0.00 3.62 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 39 E 8.91 3.94 0.00 2.04 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 0.00 2.52 2.39 0.00 40 Q 8.04 3.98 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 41 V 7.81 3.67 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 0.63 0.00 0.00 0.69 0.00 0.00 42 V 7.72 3.62 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 0.93 0.00 0.00 1.05 0.00 0.00 43 D 8.34 4.44 0.00 2.68 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 44 N 7.58 4.74 0.00 2.95 2.85 0.00 0.00 7.00 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 45 L 7.51 4.11 0.00 1.68 1.45 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.24 0.00 1.84 1.82 0.00 2.82 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.95 0.00 47 A 8.65 3.98 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 48 D 8.02 4.34 0.00 2.83 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 49 I 7.15 3.81 1.79 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.20 0.69 0.00 0.00 50 S 7.97 4.46 0.00 3.83 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 51 T 8.34 4.30 4.52 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 1.44 0.00 0.00 52 G 7.97 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 53 I 8.04 4.97 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 0.99 0.00 0.00 54 Y 9.45 5.31 0.00 2.74 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 55 Y 8.49 5.12 0.00 2.81 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 56 G 7.67 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 57 W 7.48 5.54 0.00 3.45 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 58 A 9.02 5.94 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 59 S 8.78 4.99 0.00 4.02 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 60 V 8.47 4.28 1.88 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 0.64 0.00 0.00 -0.05 0.00 0.00 61 G 9.02 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 0.00 0.00 0.00 62 S 8.73 4.80 0.00 3.95 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 63 G 7.65 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 64 D 8.15 4.57 0.00 2.38 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 0.00 0.00 0.00 0.00 65 V 7.83 4.04 1.63 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 0.25 0.00 0.00 0.21 0.00 0.00 66 H 9.38 5.30 0.00 3.09 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.80 4.55 0.00 1.70 1.55 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.08 1.60 7.81 68 M 8.32 5.02 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 69 V 8.72 5.08 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 0.80 0.00 0.00 0.99 0.00 0.00 70 V 8.97 5.05 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 0.91 0.00 0.00 0.90 0.00 0.00 71 S 9.26 5.25 0.00 3.93 4.06 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 0.00 0.00 0.00 72 I 9.47 4.72 1.99 0.00 0.00 0.62 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 0.64 0.85 0.00 0.00 73 G 7.47 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 0.00 0.00 0.00 74 W 8.90 4.69 0.00 3.54 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 75 N 9.66 4.85 0.00 3.09 3.15 0.00 0.00 6.93 5.37 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 76 P 0.00 4.25 0.00 2.26 2.19 0.00 3.94 0.00 0.00 3.95 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 77 Y 8.17 4.45 0.00 2.97 2.83 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 78 Y 8.12 4.21 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.09 3.89 0.00 1.87 1.86 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.43 7.81 80 N 8.34 4.70 0.00 3.12 3.00 0.00 0.00 6.88 7.04 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 81 T 8.79 4.23 4.39 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 1.30 0.00 0.00 82 K 7.97 4.74 0.00 1.85 1.80 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.53 7.81 83 K 8.58 3.28 0.00 0.79 1.30 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.00 0.84 7.81 84 S 9.07 4.82 0.00 3.84 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 85 M 8.42 5.15 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 86 E 9.22 5.05 0.00 1.88 1.75 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 2.18 2.23 0.00 87 T 8.78 4.94 4.11 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 1.27 0.00 0.00 88 H 9.48 5.26 0.00 3.21 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.25 4.50 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.18 0.00 0.00 90 M 8.71 4.43 0.00 1.88 2.03 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 2.53 0.00 91 H 7.94 4.38 0.00 2.72 2.91 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.69 4.42 4.06 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 0.00 0.00 1.19 0.00 0.00 93 F 8.73 4.84 0.00 3.11 3.20 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 94 K 8.82 4.24 0.00 1.92 1.98 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.54 7.81 95 E 7.89 4.87 0.00 2.03 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 2.25 2.35 0.00 96 D 8.54 4.47 0.00 2.71 2.42 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 97 F 7.00 5.00 0.00 3.03 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 98 Y 7.76 4.29 0.00 2.99 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 G 9.47 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 0.00 100 E 8.01 4.42 0.00 2.07 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 2.54 2.59 0.00 101 I 8.22 4.62 1.89 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 1.24 1.02 0.97 0.00 0.00 102 L 9.51 4.93 0.00 1.97 2.10 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.48 5.42 0.00 2.92 2.67 0.00 0.00 5.95 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 0.00 104 V 9.53 5.36 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.14 0.00 0.00 105 A 9.07 4.52 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 0.00 106 I 8.65 4.15 1.75 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 1.09 0.66 0.59 0.00 0.00 107 V 8.01 3.99 1.87 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 0.56 0.00 0.00 0.04 0.00 0.00 108 G 6.85 3.57 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 0.00 0.00 0.00 109 Y 8.50 4.54 0.00 2.75 2.71 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 0.00 110 L 7.85 4.44 0.00 1.46 1.53 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 R 6.29 4.17 0.00 1.72 1.84 0.00 2.96 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 112 P 0.00 5.12 0.00 2.18 2.27 0.00 3.36 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 113 E 8.71 4.23 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 2.53 2.49 0.00 114 K 8.21 4.68 0.00 1.02 1.12 0.00 1.70 0.00 0.00 1.41 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.55 7.81 115 N 8.00 4.92 0.00 2.64 2.54 0.00 0.00 6.61 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 0.00 116 F 8.38 5.03 0.00 3.11 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 0.00 117 D 8.86 4.70 0.00 2.81 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 0.00 118 S 7.66 4.76 0.00 4.06 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 0.00 119 L 8.45 3.59 0.00 1.68 1.67 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.01 3.81 0.00 1.99 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 2.32 2.36 0.00 121 S 7.85 3.99 0.00 4.11 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 0.00 122 L 7.25 2.44 0.00 1.01 1.20 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.56 3.50 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.40 0.82 0.00 0.00 124 S 8.04 4.02 0.00 3.79 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 0.00 125 A 7.67 3.90 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 0.00 126 I 7.84 3.97 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.66 0.85 0.00 0.00 127 Q 8.56 4.02 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 128 G 8.19 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.35 0.00 2.77 2.71 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 0.00 130 I 7.84 3.69 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 0.92 0.00 0.00 131 E 8.05 3.85 0.00 1.96 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 2.49 2.43 0.00 132 E 8.16 3.79 0.00 2.01 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 2.22 2.21 0.00 133 A 8.30 3.44 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 0.00 134 K 8.03 3.70 0.00 1.91 1.87 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 135 K 7.89 4.08 0.00 1.91 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 136 R 7.87 3.92 0.00 1.05 1.82 0.00 2.55 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 137 L 7.75 4.30 0.00 1.45 1.28 0.41 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.15 4.37 0.00 2.11 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 2.57 2.48 0.00 139 L 7.80 3.93 0.00 1.64 1.43 0.79 -0.28 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 P 0.00 4.27 0.00 2.31 2.34 0.00 3.74 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 2.06 2.05 0.00 141 E 8.10 3.96 0.00 1.88 1.75 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 2.36 2.44 0.00 142 Y 8.15 4.90 0.00 3.43 3.25 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 0.00 143 L 8.39 4.30 0.00 1.93 1.75 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.23 3.92 0.00 2.05 2.13 0.00 1.42 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.84 1.62 7.81 145 I 7.76 4.06 2.47 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.07 1.29 0.00 0.00 146 K 7.21 3.15 0.00 0.79 1.33 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 0.64 7.81 147 E 8.92 4.33 0.00 2.10 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 2.20 2.17 0.00 148 D 7.78 4.48 0.00 2.99 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 0.00 149 N 8.94 4.25 0.00 2.84 2.76 0.00 0.00 6.71 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 0.00 150 F 8.87 3.84 0.00 2.30 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.26 4.73 0.00 3.30 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 0.00 152 Q 7.95 4.05 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 153 V 7.62 3.44 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.89 0.00 0.00 154 S 7.62 4.12 0.00 4.04 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 0.00 155 K 7.40 4.15 0.00 1.89 1.92 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.