NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5698 8.2227 120.3136 52.6703 41.1322 175.5426 4 I 3.4191 8.2895 118.1937 64.0868 37.2628 175.9456 5 N 4.3506 8.9435 117.2801 56.3448 39.1922 176.2630 6 E 4.5028 8.4215 121.2471 59.0909 29.5695 179.4183 7 I 3.7970 8.0150 119.8584 64.4859 36.9893 178.0003 8 R 4.4134 7.8524 115.9170 57.4847 30.1866 177.8934 9 E 4.1079 8.3750 119.5767 58.5589 29.4157 177.8804 10 Y 3.8866 7.9648 115.1073 57.8391 38.9849 175.6708 11 L 4.8821 7.6458 119.6057 52.3843 43.4002 174.8851 12 P 4.4927 0.0000 0.0000 64.1585 32.0708 176.3844 13 H 4.2006 8.2978 116.6136 56.5599 29.1669 174.3270 14 R 4.8027 8.2451 120.6326 54.1030 34.2365 173.5917 15 Y 4.5046 8.7079 119.6361 58.0392 39.0451 174.3738 16 P 4.4200 0.0000 0.0000 62.8864 31.8618 175.2079 17 F 4.4629 8.8186 117.5105 58.7729 40.2268 173.5201 18 L 4.5588 8.1920 121.1199 53.3333 42.1907 175.6007 19 L 4.5891 9.2032 126.9014 54.1934 42.1339 176.5149 20 V 4.2106 7.6876 118.3399 61.3323 32.9467 174.6488 21 D 4.6038 8.2627 127.5346 55.8567 41.7871 177.0301 22 R 4.2090 7.0477 115.4602 55.1923 33.4120 173.3122 23 V 4.3444 8.3031 125.4255 61.6576 32.3256 175.3814 24 V 4.1531 8.7385 122.0731 62.9679 32.8716 176.5578 25 E 4.6219 7.9960 119.9930 54.3081 33.3057 174.1568 26 L 4.6640 8.6522 127.9737 53.5378 43.8736 174.7475 27 D 4.6206 8.5694 126.8424 52.3135 40.5284 176.6287 28 I 3.6375 8.3556 124.6547 64.0893 37.7688 177.9075 29 E 3.8859 8.4849 119.4931 59.3867 29.2656 178.2796 30 G 4.2468 8.2101 103.4739 44.9338 0.0000 173.0044 31 K 3.8868 8.3354 119.6091 57.9759 30.1877 174.3050 32 R 5.3672 7.9722 115.5886 54.7026 35.1159 175.3874 33 I 4.9733 8.4471 119.0779 59.7954 42.1574 173.7592 34 R 5.1427 9.2709 126.5305 54.5562 33.3870 174.4183 35 A 5.3073 9.2016 124.9509 50.8872 23.7468 173.7729 36 Y 5.0361 8.7186 116.0740 55.7221 42.3469 174.1277 37 K 4.8514 9.2926 121.6257 54.6253 35.2778 174.8237 38 N 4.9746 9.4446 126.2751 53.2310 39.4844 174.9017 39 V 4.4743 8.7825 124.8930 61.8741 32.7110 174.4328 40 S 5.0779 9.1721 123.2631 56.2132 64.3188 174.2467 41 I 3.4177 8.4890 125.4244 63.5647 38.1493 175.4321 42 N 4.7415 7.7633 119.1078 54.0858 38.7213 174.3385 43 E 4.7219 7.8416 116.2793 53.2656 32.7798 175.7307 44 P 4.2067 0.0000 0.0000 65.5268 31.4027 177.3479 45 F 4.4297 7.1087 113.2490 58.7716 38.9101 177.6274 46 F 4.4271 7.0565 120.9599 60.8624 38.3976 177.0439 47 N 4.4998 8.4229 114.4074 55.7952 38.3993 176.3904 48 G 4.1292 7.9224 104.1045 44.4048 0.0000 173.7776 49 H 3.8452 8.1070 120.4687 54.1277 30.3148 171.4546 50 F 5.2022 9.1338 121.7495 54.0488 43.3414 172.9759 51 P 4.3963 0.0000 0.0000 64.4081 31.2918 176.7346 52 E 3.8287 9.4204 120.5347 57.3162 27.4392 175.3363 53 H 4.8646 8.2642 116.9454 53.9284 30.8514 168.8991 54 P 4.9078 0.0000 0.0000 61.9821 31.7304 175.7356 55 I 4.7530 8.7839 130.3360 60.1624 40.6934 175.9623 *57 P 3.5728 0.0000 0.0000 62.9452 32.1959 176.6607 58 G 3.0221 8.5614 111.8267 48.0820 0.0000 175.5970 59 V 3.7778 7.5041 113.7273 64.1267 31.5721 178.4957 60 L 3.7493 7.8120 119.1354 57.4701 41.0713 179.4524 61 I 3.6617 7.3696 118.7340 64.2334 37.1464 177.9400 62 I 3.7239 7.3307 119.2148 64.3413 37.2243 177.4899 63 E 3.9174 8.0870 119.7497 59.2251 29.4683 179.8409 64 A 4.0671 8.1039 118.0392 52.6514 18.4223 178.9078 *66 A 3.9649 7.9868 125.5055 53.7556 20.7004 180.1827 67 Q 3.8721 8.0987 114.7276 58.9583 28.6486 178.8956 68 A 3.8520 7.7703 121.2443 54.7849 18.3818 179.4812 69 A 3.3441 7.5640 118.9999 54.8025 18.3230 179.6811 70 G 2.8132 7.4819 104.0621 47.8738 0.0000 175.6578 71 I 3.7360 7.2339 122.4198 63.8278 36.8730 178.1447 72 L 3.9178 7.3450 119.8410 58.0497 41.9742 178.7266 73 G 3.6158 7.4111 105.7552 47.0499 0.0000 175.2598 74 F 4.6843 7.6847 120.3940 59.9341 39.1448 179.6595 75 K 4.3007 8.1428 119.3489 56.0015 31.7943 178.0934 *77 L 4.0754 7.7259 115.9060 54.0103 43.1316 176.5505 78 D 4.4535 7.9848 116.1095 55.1346 38.9886 174.2907 79 V 3.9251 8.0291 118.8344 61.9682 31.9382 175.7741 80 K 4.1478 8.9234 127.1053 56.6256 33.6714 175.2740 81 P 3.4622 0.0000 0.0000 61.4342 32.8209 176.4331 82 A 3.6771 7.0658 126.0797 53.2107 16.0996 176.3339 83 D 4.5108 8.2748 120.4123 54.2615 42.9721 177.5723 84 G 3.8851 8.2029 106.5836 45.8642 0.0000 172.1178 85 T 5.0571 7.5128 114.9313 61.6050 70.7184 173.8631 86 L 4.8773 9.0030 126.9821 53.7435 45.7707 175.3826 87 Y 4.7607 8.8762 124.0919 56.7811 37.5860 172.2927 88 Y 4.6232 8.9062 124.9961 57.3538 40.2727 174.3345 89 F 4.8264 9.0109 129.6086 58.9069 39.4264 174.8069 90 V 3.7988 8.6748 119.2878 60.1646 32.8944 175.9065 91 G 3.8331 6.8733 108.5571 46.7380 0.0000 171.2866 92 S 5.7252 7.9603 112.7218 58.4623 65.4893 172.9815 93 D 4.8303 8.2454 121.5361 52.2750 45.2618 175.3062 94 K 3.7053 8.4606 116.8717 57.2851 29.8631 174.8845 95 L 4.5385 7.7064 119.5282 54.9298 43.0561 176.4796 96 R 4.6050 8.8029 124.8554 54.5097 34.8738 173.9195 97 F 5.3522 8.7943 121.1177 56.0571 41.0012 175.4645 98 R 4.6840 9.1318 121.9413 55.7264 31.3260 176.5313 99 Q 4.6689 7.7232 115.4859 54.6829 30.1769 171.8784 100 P 4.3879 0.0000 0.0000 62.9545 32.0101 175.5230 101 V 4.4560 8.1491 119.4550 61.3055 33.2315 174.8665 102 L 5.0194 8.8115 125.5098 51.7108 45.2445 174.1697 103 P 4.4254 0.0000 0.0000 64.5825 31.5524 176.6008 104 G 4.0553 9.2559 110.6209 45.4374 0.0000 173.8932 105 D 4.5759 8.1609 119.1831 54.2539 42.4120 175.7164 106 Q 4.8002 8.4007 122.2511 54.0868 30.5133 174.4822 107 L 4.1851 8.7819 130.2713 55.0809 43.3840 175.4310 108 Q 4.9329 9.3717 126.4765 54.7021 30.6515 174.5201 109 L 5.0185 9.6695 125.4026 53.3193 44.1365 175.2204 110 H 5.5600 9.4646 120.8286 53.9646 32.6055 172.7048 111 A 5.0790 8.7236 123.4831 50.1473 22.7778 174.6285 112 K 4.9876 9.3558 124.0072 54.0942 35.0990 175.1836 113 F 4.2965 9.3886 130.8144 59.5418 39.4075 173.6368 114 I 4.1508 6.8699 125.4411 61.6877 38.7611 175.7452 115 S 4.1959 6.0531 113.4444 57.3594 65.8687 174.0657 116 V 4.4116 8.1261 119.6254 59.9693 34.0560 175.4778 117 K 4.2509 8.7260 127.1263 54.7167 33.0879 178.4059 118 R 3.9153 8.7338 127.6071 56.5693 28.2174 177.2286 119 S 4.7109 9.0681 124.8014 59.1037 65.2495 174.1881 120 I 4.8839 7.7191 123.4166 60.4871 37.8828 175.0454 121 W 5.1446 9.8220 127.9289 55.1237 32.0814 175.6530 122 K 5.1060 8.3786 120.8439 54.7987 35.4981 175.5104 123 F 5.1351 9.4605 123.0152 55.6379 43.4327 173.6690 124 D 5.0820 9.2684 122.2152 53.2380 42.5335 174.8352 125 C 5.4985 8.9150 124.0247 58.4546 31.7060 173.0438 126 H 5.4203 9.3502 118.0539 54.2513 33.6375 172.2155 127 A 5.3546 9.1509 122.3041 50.7190 22.5907 175.2704 128 T 5.0323 9.0055 110.5026 60.1877 73.1094 172.8351 129 V 4.5057 8.4005 122.5037 61.5780 34.4821 175.3575 130 D 4.4167 9.6067 127.8967 55.6641 38.2585 174.4827 131 D 4.5153 8.2354 115.7035 54.6570 40.1167 174.5009 132 K 4.4499 7.8164 120.1488 53.9985 33.3236 174.6466 133 P 4.6819 0.0000 0.0000 63.4888 31.9760 175.8775 134 V 4.4127 8.3134 116.8721 64.4684 35.2982 174.3296 135 C 5.2978 8.3169 118.3326 58.4605 35.4933 172.9314 136 S 4.9680 8.2423 116.4392 57.4706 66.2643 173.1316 137 A 4.7096 8.2830 121.9577 52.2769 23.6206 174.8882 138 E 4.8397 8.4209 119.3379 55.0536 31.4530 175.5661 139 I 4.6671 8.5909 126.7734 60.2031 39.0789 174.8902 140 I 5.0616 8.8785 128.6580 60.0072 39.1796 174.8321 141 C 5.6562 9.6140 124.2405 57.8872 32.6311 172.9764 142 A 5.2351 9.0786 122.3832 50.0669 21.2803 175.3361 143 E 3.9496 9.3912 125.1218 56.8354 30.0738 176.0046 144 R 4.7985 8.7724 125.4574 54.0585 35.3153 174.1165 145 K 4.6169 8.4381 121.4188 55.2445 33.0352 176.1528 146 L 4.1755 8.8553 129.1596 55.6466 41.5963 176.5902 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 3 D 8.22 4.57 0.00 2.91 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 4 I 8.29 3.42 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.91 0.00 0.00 5 N 8.94 4.35 0.00 2.87 2.86 0.00 0.00 6.91 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 6 E 8.42 4.50 0.00 2.21 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 0.00 2.37 2.42 0.00 7 I 8.02 3.80 2.07 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.91 0.00 0.00 8 R 7.85 4.41 0.00 1.94 1.99 0.00 3.19 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 9 E 8.38 4.11 0.00 2.17 1.66 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 2.22 2.46 0.00 10 Y 7.96 3.89 0.00 3.09 3.06 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 11 L 7.65 4.88 0.00 1.72 1.77 0.95 1.09 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 12 P 0.00 4.49 0.00 2.17 2.17 0.00 3.96 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 1.90 2.01 0.00 13 H 8.30 4.20 0.00 3.21 3.61 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.25 4.80 0.00 1.85 1.89 0.00 3.35 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 15 Y 8.71 4.50 0.00 2.89 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 16 P 0.00 4.42 0.00 1.88 0.92 0.00 3.69 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 17 F 8.82 4.46 0.00 2.85 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 18 L 8.19 4.56 0.00 1.71 1.65 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.20 4.59 0.00 1.41 1.47 0.39 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.69 4.21 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 0.73 0.00 0.00 0.83 0.00 0.00 21 D 8.26 4.60 0.00 2.60 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 22 R 7.05 4.21 0.00 1.42 0.66 0.00 3.30 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 23 V 8.30 4.34 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 0.81 0.00 0.00 0.83 0.00 0.00 24 V 8.74 4.15 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 0.95 0.00 0.00 1.05 0.00 0.00 25 E 8.00 4.62 0.00 2.00 1.73 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 2.27 2.29 0.00 26 L 8.65 4.66 0.00 1.62 1.52 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.57 4.62 0.00 3.03 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 28 I 8.36 3.64 1.88 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 1.31 0.80 0.92 0.00 0.00 29 E 8.48 3.89 0.00 1.93 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 0.00 2.31 2.35 0.00 30 G 8.21 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 31 K 8.34 3.89 0.00 2.10 2.06 0.00 1.74 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.49 7.81 32 R 7.97 5.37 0.00 1.75 1.80 0.00 3.11 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 33 I 8.45 4.97 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.43 0.97 0.00 0.00 34 R 9.27 5.14 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 35 A 9.20 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.72 5.04 0.00 3.05 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 37 K 9.29 4.85 0.00 1.83 1.68 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.57 7.81 38 N 9.44 4.97 0.00 2.88 2.85 0.00 0.00 6.95 7.91 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 39 V 8.78 4.47 2.33 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 1.14 0.00 0.00 1.08 0.00 0.00 40 S 9.17 5.08 0.00 3.93 3.75 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 41 I 8.49 3.42 1.66 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.85 0.00 0.00 42 N 7.76 4.74 0.00 2.75 2.78 0.00 0.00 6.97 7.15 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 43 E 7.84 4.72 0.00 1.34 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 0.00 0.00 0.00 2.26 2.34 0.00 44 P 0.00 4.21 0.00 2.11 2.24 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 45 F 7.11 4.43 0.00 3.06 3.21 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 0.00 46 F 7.06 4.43 0.00 3.04 2.99 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 47 N 8.42 4.50 0.00 2.70 2.94 0.00 0.00 6.75 7.65 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 48 G 7.92 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 0.00 0.00 0.00 49 H 8.11 3.85 0.00 2.86 2.94 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.13 5.20 0.00 3.18 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 51 P 0.00 4.40 0.00 2.12 2.07 0.00 4.02 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 52 E 9.42 3.83 0.00 2.08 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 2.19 2.33 0.00 53 H 8.26 4.86 0.00 3.28 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.91 0.00 1.44 1.85 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 55 I 8.78 4.75 2.17 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 1.05 0.00 0.00 *57 P 0.00 3.57 0.00 1.56 1.56 0.00 2.40 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 0.00 58 G 8.56 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 0.00 0.00 0.00 59 V 7.50 3.78 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 0.86 0.00 0.00 0.83 0.00 0.00 60 L 7.81 3.75 0.00 1.33 1.22 -0.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.37 3.66 2.22 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 1.59 0.52 0.97 0.00 0.00 62 I 7.33 3.72 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.59 0.00 0.00 63 E 8.09 3.92 0.00 2.02 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 2.05 2.26 0.00 64 A 8.10 4.07 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 *66 A 7.99 3.96 1.03 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 67 Q 8.10 3.87 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.03 2.33 0.00 68 A 7.77 3.85 1.25 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 69 A 7.56 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.48 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 0.00 0.00 0.00 71 I 7.23 3.74 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.61 0.00 0.00 72 L 7.35 3.92 0.00 1.51 1.71 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.41 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.68 4.68 0.00 3.42 3.37 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 75 K 8.14 4.30 0.00 1.84 1.81 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.21 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.46 7.81 *77 L 7.73 4.08 0.00 1.85 1.87 1.23 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.98 4.45 0.00 2.85 2.78 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 79 V 8.03 3.93 2.52 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 0.95 0.00 0.00 1.25 0.00 0.00 80 K 8.92 4.15 0.00 1.84 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 81 P 0.00 3.46 0.00 1.80 1.48 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.50 0.00 82 A 7.07 3.68 1.14 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 83 D 8.27 4.51 0.00 2.55 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 84 G 8.20 3.89 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 0.00 0.00 0.00 85 T 7.51 5.06 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 1.34 0.00 0.00 86 L 9.00 4.88 0.00 1.76 1.51 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.88 4.76 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 88 Y 8.91 4.62 0.00 3.11 3.12 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 89 F 9.01 4.83 0.00 2.89 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 90 V 8.67 3.80 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 0.54 0.00 0.00 0.96 0.00 0.00 91 G 6.87 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 92 S 7.96 5.73 0.00 4.14 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 93 D 8.25 4.83 0.00 2.57 2.46 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 0.00 94 K 8.46 3.71 0.00 1.87 1.78 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.38 7.81 95 L 7.71 4.54 0.00 1.58 1.53 0.40 1.01 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 96 R 8.80 4.60 0.00 1.66 1.65 0.00 3.11 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 97 F 8.79 5.35 0.00 2.92 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 98 R 9.13 4.68 0.00 1.67 1.99 0.00 3.25 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 99 Q 7.72 4.67 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 100 P 0.00 4.39 0.00 2.26 2.15 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 101 V 8.15 4.46 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 0.98 0.00 0.00 0.97 0.00 0.00 102 L 8.81 5.02 0.00 1.71 1.52 0.94 0.97 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 0.00 103 P 0.00 4.43 0.00 1.83 1.78 0.00 3.50 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 1.43 0.75 0.00 104 G 9.26 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 0.00 0.00 0.00 105 D 8.16 4.58 0.00 2.84 2.63 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 0.00 0.00 0.00 0.00 106 Q 8.40 4.80 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.95 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 107 L 8.78 4.19 0.00 1.88 1.74 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 9.37 4.93 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 109 L 9.67 5.02 0.00 1.43 1.51 0.86 0.79 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 0.00 110 H 9.46 5.56 0.00 3.15 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.72 5.08 1.08 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 0.00 0.00 112 K 9.36 4.99 0.00 1.84 1.71 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 113 F 9.39 4.30 0.00 3.18 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 0.00 114 I 6.87 4.15 1.67 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 1.17 0.86 0.71 0.00 0.00 115 S 6.05 4.20 0.00 3.63 3.63 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 0.00 0.00 0.00 0.00 116 V 8.13 4.41 1.19 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 0.44 0.00 0.00 0.02 0.00 0.00 117 K 8.73 4.25 0.00 1.75 1.65 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.38 7.81 118 R 8.73 3.92 0.00 2.01 1.79 0.00 3.24 0.00 0.00 3.28 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 119 S 9.07 4.71 0.00 4.27 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 0.00 120 I 7.72 4.88 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.98 0.00 0.00 121 W 9.82 5.14 0.00 3.50 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 0.00 122 K 8.38 5.11 0.00 1.42 1.54 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.29 7.81 123 F 9.46 5.14 0.00 2.96 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 0.00 124 D 9.27 5.08 0.00 2.76 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 0.00 125 C 8.91 5.50 0.00 2.94 2.70 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 0.00 126 H 9.35 5.42 0.00 3.12 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 9.15 5.35 1.18 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 0.00 128 T 9.01 5.03 4.37 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 1.23 0.00 0.00 129 V 8.40 4.51 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 1.05 0.00 0.00 0.96 0.00 0.00 130 D 9.61 4.42 0.00 2.84 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 0.00 131 D 8.24 4.52 0.00 2.86 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 0.00 132 K 7.82 4.45 0.00 1.95 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.57 7.81 133 P 0.00 4.68 0.00 2.20 2.09 0.00 3.72 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 2.01 1.98 0.00 134 V 8.31 4.41 2.26 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 1.11 0.00 0.00 1.00 0.00 0.00 135 C 8.32 5.30 0.00 3.23 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 0.00 136 S 8.24 4.97 0.00 3.71 3.85 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 0.00 0.00 0.00 0.00 137 A 8.28 4.71 1.10 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 0.00 138 E 8.42 4.84 0.00 1.95 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 0.00 2.23 2.24 0.00 139 I 8.59 4.67 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.93 0.00 0.00 140 I 8.88 5.06 2.03 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 1.28 0.76 1.05 0.00 0.00 141 C 9.61 5.66 0.00 3.29 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 0.00 142 A 9.08 5.24 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 0.00 143 E 9.39 3.95 0.00 1.66 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 2.13 1.47 0.00 144 R 8.77 4.80 0.00 1.74 1.76 0.00 3.36 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 145 K 8.44 4.62 0.00 1.76 1.70 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.54 7.81 146 L 8.86 4.18 0.00 1.67 1.61 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.