NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4142 8.2493 123.5698 51.5384 20.6157 176.9765 3 N 4.9487 8.1810 110.6217 50.6246 41.8107 166.8123 4 E 4.7834 9.8984 121.8568 54.7415 27.0515 178.6757 5 L 5.5934 8.9182 132.8673 56.3813 45.2190 173.1717 6 T 4.2996 7.1391 117.9972 60.7888 67.9583 178.3073 7 W 5.2636 9.1952 114.9353 58.9238 31.5622 174.3302 8 H 4.5996 8.4237 112.5612 55.5338 27.9684 174.6337 9 D 4.2895 8.0687 123.7311 54.5499 40.5123 178.3216 10 V 3.8339 8.4886 126.3132 62.3536 30.9250 171.5417 11 L 4.0725 9.1648 117.9765 56.7086 41.9824 176.4716 12 A 4.7999 7.0582 120.3051 48.6087 18.7709 173.3286 13 E 4.8331 7.4639 130.0110 56.4248 34.2699 178.2223 14 E 4.0317 8.2264 118.8998 59.4344 29.5831 179.0127 15 K 2.7151 7.1372 120.0884 59.1447 32.2165 178.1268 16 Q 4.4072 7.2399 118.1829 57.5124 29.4704 182.1348 17 Q 4.3868 8.4715 119.0838 56.1882 30.6830 175.9033 18 P 4.2693 0.0000 0.0000 65.7689 31.3836 178.7019 19 Y 4.1349 8.0840 116.3869 59.8383 37.9672 178.0657 20 F 3.2135 6.8084 121.7545 60.6895 39.5460 176.7957 21 L 3.8500 7.7708 118.6571 58.2999 41.3552 179.4462 22 N 4.2612 8.0307 115.7680 56.1451 38.1328 177.7456 23 T 3.4590 7.1158 116.9797 66.0441 68.2522 176.8396 24 L 3.7058 7.5192 121.3327 57.8902 41.6276 179.5565 25 Q 3.9402 8.0954 118.2743 59.1146 28.4355 178.7608 26 T 3.7591 8.0535 114.4326 64.6602 67.2889 176.6019 27 V 3.5922 7.3445 119.0087 65.5083 31.6550 177.5465 28 A 3.9455 7.8123 120.5757 55.3822 18.1884 179.1030 29 S 4.3678 8.0848 112.8095 61.0460 62.3765 176.2072 30 E 3.9144 7.8067 120.7585 59.6195 29.3790 179.4465 31 R 4.1971 8.2786 119.2950 58.8756 30.1032 179.1848 32 Q 4.0203 8.1607 117.0848 59.2739 28.3895 178.2372 33 S 4.1709 8.4345 114.3800 59.2251 62.4715 174.0046 34 G 3.8222 7.1762 107.4643 45.0658 0.0000 173.8000 35 V 4.1041 7.8608 121.6582 60.4499 33.1717 175.5710 36 T 4.3572 8.3440 120.2449 61.1836 67.1442 173.0894 37 I 3.4875 7.8712 128.7325 62.1171 37.7839 174.2833 38 Y 4.1527 9.1145 124.3850 58.5635 37.2026 173.7183 39 P 4.3194 0.0000 0.0000 62.4912 32.2985 174.5024 40 P 4.3002 0.0000 0.0000 63.1226 32.0249 177.7002 41 Q 4.0221 8.8230 121.4433 59.1934 28.8317 179.6327 42 K 3.8651 8.2324 116.8292 59.1678 32.4779 177.0059 43 D 4.8167 9.0669 118.5107 54.0545 41.9512 178.7047 44 V 3.2287 7.1095 119.0538 65.5756 31.5238 177.0246 45 F 5.1851 7.8813 116.5598 57.4411 39.7060 177.4777 46 N 4.0470 8.3709 121.8382 56.2788 38.2627 176.7479 47 A 4.0393 7.8628 121.7401 55.0860 18.1109 179.3767 48 F 4.1057 7.4712 114.9706 60.0060 39.1304 177.9531 49 R 4.0707 7.7783 117.3377 59.6577 30.0901 178.2311 50 F 4.9084 7.9596 117.4839 59.0503 38.6888 175.1436 51 T 4.7059 7.3504 111.0174 60.0679 69.6118 172.9430 52 E 4.6573 8.9057 129.5003 55.2551 31.1887 176.5464 53 L 3.3759 6.8421 123.1548 58.0986 41.7820 179.6180 54 G 3.7288 7.7373 104.1244 47.1799 0.0000 173.2987 55 D 4.6653 8.2132 119.3428 53.7686 42.1167 175.6628 56 V 3.8457 7.3838 118.8185 63.7249 31.5091 175.0675 57 K 4.4226 9.6725 128.5796 57.7962 33.7301 177.1668 58 V 4.7821 7.5941 118.0781 60.8533 35.6013 174.2720 59 V 4.5376 8.8604 126.0185 61.1471 34.4023 174.0488 60 I 4.5120 8.8419 129.5443 59.3613 39.4871 174.4179 61 L 4.8524 7.7538 129.8544 53.9548 43.0641 175.7801 62 G 3.7296 9.7821 113.3768 45.7772 0.0000 172.4511 63 Q 4.6261 8.8619 119.7957 55.6123 28.5479 175.9995 64 D 5.4667 8.4584 120.2043 49.5851 43.6198 175.1713 65 P 4.0868 0.0000 0.0000 62.7162 31.8856 175.6494 66 Y 4.0383 8.0079 117.4997 58.5895 38.4177 176.2090 67 H 5.0679 8.6192 118.9625 55.4080 28.8969 174.8489 68 G 4.4133 7.6776 109.0105 42.3440 0.0000 171.5925 69 P 4.1083 0.0000 0.0000 63.0058 31.7562 177.1105 70 G 3.8474 8.6098 108.6590 46.1470 0.0000 175.1376 71 Q 3.8747 7.1719 118.8590 58.1072 29.3014 175.9631 72 A 4.4395 7.5904 120.8835 52.6883 19.0752 177.0899 73 H 4.9298 8.6026 115.8112 55.5762 29.1921 174.5897 74 G 3.9429 8.7391 109.8748 45.7285 0.0000 174.1056 75 L 4.6500 7.0823 117.7327 52.4222 43.9749 176.0696 76 A 4.0655 8.1478 123.3795 52.7431 19.0793 179.6041 77 F 4.5036 8.0635 119.3004 58.4458 38.4708 176.6451 78 S 4.5945 9.3750 114.8181 58.4435 62.6538 174.1423 79 V 5.4797 8.5442 119.5295 58.4153 35.3677 175.3497 80 R 4.0816 8.0426 122.1852 55.7780 30.5121 176.8065 81 P 4.0130 0.0000 0.0000 65.0631 31.4560 177.2008 82 G 4.0296 7.7796 103.3012 44.8964 0.0000 172.9045 83 I 3.9964 7.7153 120.6351 60.0740 38.0132 175.4100 84 A 4.0723 8.1315 125.2060 51.5702 18.7677 177.3993 85 I 3.6290 8.3072 123.6304 60.8704 37.2059 174.9844 86 P 4.3340 0.0000 0.0000 61.8680 33.1506 175.2652 87 P 4.2615 0.0000 0.0000 66.3931 30.8202 179.2496 88 S 4.1091 8.1171 113.0543 61.2772 62.7433 176.4216 89 L 3.7997 7.8873 122.6638 57.9634 42.0677 178.2640 90 L 3.8628 7.9474 120.4611 58.6313 42.0001 178.8780 91 N 4.6839 8.3279 116.1168 56.5874 38.4029 177.3766 92 M 4.2330 8.1368 120.3513 58.5841 31.2796 178.4100 93 Y 4.4545 8.1162 117.1606 60.8885 38.1520 178.3729 94 K 4.0748 8.1078 119.3316 59.6774 31.9055 178.9494 95 E 3.8917 8.2199 118.1451 59.4934 29.5186 179.1828 96 L 3.5151 7.7557 118.8405 57.9061 41.3656 179.3811 97 E 4.1354 9.1129 117.6736 59.0222 29.5557 177.8105 98 N 4.6143 7.6074 114.6534 55.1347 39.4074 176.9055 99 T 4.2718 8.8115 114.7325 62.9679 67.9627 173.8887 100 I 4.2456 7.3548 122.2717 58.5444 37.7733 173.5877 101 P 4.4526 0.0000 0.0000 62.9078 31.5972 177.6099 102 G 4.2519 8.6730 105.3183 45.6153 0.0000 174.0816 103 F 4.1912 8.3367 122.5138 58.2319 41.0359 171.8237 104 T 4.0304 8.0991 120.3735 60.7251 67.8560 174.8987 105 R 4.3809 5.8400 121.6110 55.4157 34.8296 171.7528 106 P 4.4946 0.0000 0.0000 61.9254 33.8458 174.9096 107 N 5.0900 8.2621 110.8561 50.3607 36.8585 173.4284 108 H 4.6403 7.3049 113.9680 56.4294 30.6315 175.0004 109 G 4.0590 7.9418 108.9312 45.6173 0.0000 172.8132 110 Y 4.8623 8.2028 121.5365 55.9084 38.8031 174.3385 111 L 4.1729 8.2191 128.2204 54.4226 42.2222 178.5411 112 E 3.4703 6.8826 122.4685 59.2254 27.9061 178.5834 113 S 4.1429 7.8775 114.8218 61.5558 63.0028 176.5856 114 W 4.4627 8.4020 121.2911 59.5028 28.7943 178.4638 115 A 4.3931 7.8437 121.5925 54.8370 17.8499 179.3931 116 R 4.3817 7.8229 112.3685 57.4357 30.1094 177.4100 117 Q 4.3092 7.4827 116.7559 55.6484 29.1788 176.3180 118 G 3.9090 8.4417 106.8919 46.0860 0.0000 173.1869 119 V 4.3803 7.6486 120.4121 61.3448 32.5119 174.7350 120 L 4.3386 9.3083 132.3558 54.8406 43.4552 175.6933 121 L 5.1160 8.6548 126.7651 52.8288 42.3418 173.1774 122 L 4.7268 8.4391 124.5857 53.1841 43.9877 175.1067 123 N 4.8584 8.8203 123.4841 52.3041 39.6637 175.2946 124 T 4.4578 8.7064 111.2444 62.7437 70.4582 174.8630 125 V 4.5178 7.4761 122.0431 59.9275 33.8167 176.0285 126 L 3.7412 7.2844 123.3540 55.5953 41.8317 176.0176 127 T 4.8439 6.9141 107.5148 60.2475 72.4347 173.2444 128 V 4.4586 7.8917 119.1997 60.5911 34.7906 173.2855 129 R 4.4542 8.4430 121.4612 55.0087 31.6322 176.0639 130 A 4.4099 7.8644 124.9250 54.2423 18.6189 177.8731 131 G 4.0395 9.4217 109.9408 46.2789 0.0000 174.2528 132 Q 4.3798 7.9818 119.5086 52.5945 28.8549 173.9987 133 A 4.0632 7.9434 123.2229 53.8453 18.9487 177.0795 134 H 4.0442 9.2808 119.4449 56.8521 29.1575 176.8484 135 S 4.2020 7.9473 113.2627 60.8588 63.2099 174.6642 136 H 4.8622 8.1412 116.9045 55.7187 28.6753 175.1971 137 A 4.5414 7.5993 120.3111 52.8282 17.6039 179.0332 138 S 4.7255 7.8791 110.6256 59.4110 64.8533 175.1718 139 L 4.0313 8.0176 121.9842 56.9070 42.1609 176.9137 140 G 4.0188 8.2519 107.0625 45.5460 0.0000 175.7363 141 W 4.7465 8.4869 123.3477 59.2894 28.9783 177.8204 142 E 4.2788 8.4631 120.3268 59.2457 29.2603 178.7256 143 T 3.8196 8.1042 112.4094 64.9364 67.3188 175.7061 144 F 5.0579 8.2808 122.7601 61.4926 39.7161 177.3329 145 T 3.8976 8.8639 115.7296 66.7201 68.0780 176.3967 146 D 4.3735 8.4212 121.2749 56.9732 40.8012 178.3453 147 K 3.8181 7.7656 119.7029 59.6142 32.1202 178.4520 148 V 3.6653 7.3652 118.2723 66.5392 31.3453 178.0693 149 I 3.8693 7.6631 118.5548 64.3426 36.8621 178.3619 150 S 4.1174 8.3396 114.2916 61.5389 62.1788 176.3071 151 L 4.0591 8.7063 121.9921 57.8542 41.2515 179.5340 152 I 3.6965 8.3565 120.2735 64.5214 36.8470 178.0344 153 N 4.4974 8.2824 116.8873 56.3849 38.7892 176.9107 154 Q 4.2074 8.1617 119.1297 58.9702 29.1564 177.2545 155 H 4.8012 8.6694 114.0998 54.8290 29.2120 174.9832 156 R 4.8097 7.4563 118.8469 54.3689 34.1089 174.0249 157 E 4.6351 8.3987 119.4735 55.4239 32.3937 175.4250 158 G 4.4608 8.7305 112.2113 46.8201 0.0000 173.8298 159 V 4.3126 8.1612 118.0975 62.0366 33.5976 174.4217 160 V 4.4282 8.2952 126.0476 61.6129 33.0325 174.6837 161 F 4.4761 9.1993 127.4592 55.8477 39.1415 174.4255 162 L 4.2481 8.6270 125.6677 53.6947 41.2137 174.6277 163 L 4.4927 8.6448 123.5957 53.0353 43.2512 175.5892 164 W 5.8730 7.7242 123.1688 54.9347 32.5681 173.8980 165 G 4.2181 8.9864 114.2982 45.2592 0.0000 174.6445 166 S 4.1260 8.7319 116.5172 61.2379 63.0442 175.1755 167 H 4.2906 8.4168 119.6511 58.8078 29.9017 176.5715 168 A 4.0967 7.9584 121.0208 54.3587 19.1504 177.5082 169 Q 4.0517 8.1054 115.6758 57.5612 30.2665 178.9885 *170 K 3.7049 8.9406 122.8488 56.1319 31.4459 179.8537 171 K 4.0408 8.5485 109.7882 56.5297 33.9650 179.4473 172 G 3.9489 5.7030 108.1261 45.0828 0.0000 175.7553 173 A 4.5196 7.8753 117.1138 51.4946 21.4431 176.7283 174 I 4.2094 7.5632 120.8123 58.7758 37.3031 175.3515 175 I 4.2633 7.3557 124.5034 58.9243 39.6231 177.0140 176 D 4.5446 8.1739 121.9013 53.8664 39.1033 177.0226 177 K 3.7442 8.2119 122.9342 57.8249 32.6903 176.5378 178 Q 4.3966 8.1081 119.3482 58.0248 30.2216 176.2564 179 R 4.1492 8.4303 118.9923 59.1988 30.9823 175.9796 180 H 5.3795 8.0357 112.3890 54.0410 32.7558 172.7177 181 H 4.2622 8.5340 120.5398 55.0582 30.8649 174.0879 182 V 4.4720 8.0236 125.8739 60.9689 32.4599 173.4689 183 L 4.3430 8.1022 126.2915 53.5206 43.0293 176.1923 184 K 5.4131 8.5497 121.6288 53.8302 35.4061 174.9712 185 A 4.5038 8.0512 121.8024 51.1277 21.8998 174.3094 186 P 4.7162 0.0000 0.0000 62.2733 32.5141 176.2248 187 H 3.9952 8.6721 121.6592 55.4067 30.2525 174.4312 188 P 3.0833 0.0000 0.0000 63.3999 31.2704 176.4426 189 S 4.1732 8.0062 114.6336 57.2461 62.7184 173.1519 190 P 4.4835 0.0000 0.0000 65.7852 30.8579 176.8315 191 L 4.5785 7.7598 119.0077 54.7159 41.8039 175.9049 192 S 4.5729 7.7876 112.0425 58.6641 69.1111 176.9494 193 A 3.7044 8.4729 124.4525 55.4246 18.1594 179.4187 194 H 4.4440 8.3722 114.0241 59.2422 29.3731 176.7918 195 R 4.3981 7.4189 118.3073 55.9818 28.8693 179.1926 196 G 3.9422 7.8263 106.1089 45.8167 0.0000 173.6198 197 F 4.6170 8.5370 122.1824 59.5860 40.8457 177.5851 198 F 4.0236 8.0198 116.9250 59.8070 38.9700 176.9297 199 G 3.6531 7.9636 109.2994 48.1276 0.0000 174.2775 200 C 4.1555 7.5222 116.0371 58.9980 30.2762 173.5259 201 N 5.1977 8.1769 115.1274 51.1999 38.7697 177.1597 202 H 3.9773 8.3445 119.8382 59.9028 28.6430 177.1287 203 F 3.6112 7.2767 118.7671 60.0964 38.6361 177.9934 204 V 3.8676 7.6664 118.4578 64.7530 31.4955 178.3709 205 L 4.0722 8.4617 119.9466 57.4446 41.4194 179.3487 206 A 4.1284 8.3307 120.8964 55.2447 18.2615 179.4432 207 N 4.5220 8.2306 113.8700 56.1078 38.6300 177.4690 208 Q 4.0087 8.2793 121.2268 59.2086 28.9700 177.8252 209 W 3.9424 8.3908 127.9898 60.2680 31.0387 177.2340 210 L 4.2261 8.5295 121.0230 58.8993 41.2832 180.0150 211 E 4.0347 8.7492 120.4679 62.2915 29.4337 181.9564 212 Q 4.3414 7.8626 120.5908 59.5147 28.0177 180.0033 213 R 4.4350 7.5698 113.8927 55.9743 29.9350 177.6444 214 G 3.9210 8.4930 108.2653 45.7732 0.0000 174.2284 215 E 4.1472 7.6253 118.3356 55.8846 30.2441 176.2401 216 T 3.9860 8.2406 116.3747 60.8592 67.6433 172.7467 217 P 4.4793 0.0000 0.0000 62.9843 31.9325 174.9095 218 I 4.2025 9.0130 119.6403 59.4210 38.8367 175.9885 219 D 4.5423 8.6191 125.1929 52.6998 39.7661 176.0829 220 W 4.0045 8.3804 123.2104 57.3073 29.0248 175.9486 221 M 4.5903 8.0919 119.9521 53.8200 31.9886 174.3805 222 P 4.7167 0.0000 0.0000 62.8451 32.2919 175.4880 223 V 4.4952 8.0106 118.0074 61.0752 34.0944 173.3824 224 L 4.9155 8.1151 118.4276 52.2815 44.7455 174.9701 225 P 4.4505 0.0000 0.0000 63.1727 31.4314 176.1928 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.25 4.41 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 3 N 8.18 4.95 0.00 2.87 2.76 0.00 0.00 6.08 6.77 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 4 E 9.90 4.78 0.00 1.98 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 5 L 8.92 5.59 0.00 1.70 1.58 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.14 4.30 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 7 W 9.20 5.26 0.00 3.23 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 8 H 8.42 4.60 0.00 3.27 3.40 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.07 4.29 0.00 2.63 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 10 V 8.49 3.83 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 0.69 0.00 0.00 0.93 0.00 0.00 11 L 9.16 4.07 0.00 1.91 1.66 0.72 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.06 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.46 4.83 0.00 2.00 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 0.00 2.13 2.11 0.00 14 E 8.23 4.03 0.00 2.07 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 2.46 2.43 0.00 15 K 7.14 2.72 0.00 1.72 1.69 0.00 0.92 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.90 7.81 16 Q 7.24 4.41 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 17 Q 8.47 4.39 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.70 2.83 0.00 18 P 0.00 4.27 0.00 2.20 2.11 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 19 Y 8.08 4.13 0.00 3.26 3.26 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 20 F 6.81 3.21 0.00 2.08 2.62 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 21 L 7.77 3.85 0.00 1.89 1.65 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.03 4.26 0.00 2.70 2.75 0.00 0.00 7.05 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 23 T 7.12 3.46 3.33 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 -0.59 0.00 0.00 24 L 7.52 3.71 0.00 1.51 1.51 0.65 0.58 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 25 Q 8.10 3.94 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 26 T 8.05 3.76 4.29 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 1.08 0.00 0.00 27 V 7.34 3.59 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 1.02 0.00 0.00 1.00 0.00 0.00 28 A 7.81 3.95 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 29 S 8.08 4.37 0.00 3.89 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 30 E 7.81 3.91 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 31 R 8.28 4.20 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 32 Q 8.16 4.02 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 33 S 8.43 4.17 0.00 3.96 4.04 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 G 7.18 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 35 V 7.86 4.10 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 0.76 0.00 0.00 0.88 0.00 0.00 36 T 8.34 4.36 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 1.08 0.00 0.00 37 I 7.87 3.49 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.92 0.00 0.00 38 Y 9.11 4.15 0.00 3.16 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.32 0.00 1.94 2.03 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 40 P 0.00 4.30 0.00 2.22 2.04 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 41 Q 8.82 4.02 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 42 K 8.23 3.87 0.00 1.92 2.06 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.54 7.81 43 D 9.07 4.82 0.00 2.67 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 44 V 7.11 3.23 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 -0.27 0.00 0.00 0.87 0.00 0.00 45 F 7.88 5.19 0.00 3.16 3.18 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 46 N 8.37 4.05 0.00 2.76 2.65 0.00 0.00 6.93 7.06 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 47 A 7.86 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.47 4.11 0.00 3.06 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 49 R 7.78 4.07 0.00 1.64 1.51 0.00 3.30 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 1.48 1.77 0.00 50 F 7.96 4.91 0.00 3.17 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 51 T 7.35 4.71 4.65 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 1.40 0.00 0.00 52 E 8.91 4.66 0.00 2.21 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 2.35 2.17 0.00 53 L 6.84 3.38 0.00 0.27 0.95 0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.74 3.73 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 0.00 0.00 0.00 55 D 8.21 4.67 0.00 2.81 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 56 V 7.38 3.85 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 0.74 0.00 0.00 1.13 0.00 0.00 57 K 9.67 4.42 0.00 1.78 1.82 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 58 V 7.59 4.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 59 V 8.86 4.54 0.97 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 0.75 0.00 0.00 0.45 0.00 0.00 60 I 8.84 4.51 1.96 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.18 0.55 0.00 0.00 61 L 7.75 4.85 0.00 1.70 1.56 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.78 3.73 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 0.00 0.00 0.00 63 Q 8.86 4.63 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.17 0.00 64 D 8.46 5.47 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.09 0.00 2.14 1.97 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 66 Y 8.01 4.04 0.00 2.90 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 67 H 8.62 5.07 0.00 3.71 3.63 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.68 4.41 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 69 P 0.00 4.11 0.00 2.23 2.24 0.00 3.46 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 70 G 8.61 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 0.00 0.00 0.00 71 Q 7.17 3.87 0.00 1.84 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.94 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 72 A 7.59 4.44 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 73 H 8.60 4.93 0.00 3.32 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.74 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 75 L 7.08 4.65 0.00 1.52 1.57 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.15 4.07 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 77 F 8.06 4.50 0.00 3.31 3.24 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 78 S 9.38 4.59 0.00 3.82 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 79 V 8.54 5.48 1.96 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 0.43 0.00 0.00 0.91 0.00 0.00 80 R 8.04 4.08 0.00 1.84 1.77 0.00 3.17 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 81 P 0.00 4.01 0.00 1.84 1.91 0.00 3.33 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.35 0.00 82 G 7.78 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 0.00 0.00 0.00 83 I 7.72 4.00 1.80 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 1.14 0.37 0.75 0.00 0.00 84 A 8.13 4.07 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 85 I 8.31 3.63 1.89 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 1.47 0.61 0.80 0.00 0.00 86 P 0.00 4.33 0.00 2.24 1.96 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 87 P 0.00 4.26 0.00 2.19 2.16 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 88 S 8.12 4.11 0.00 4.12 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 89 L 7.89 3.80 0.00 1.78 1.69 0.53 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.95 3.86 0.00 1.94 1.88 1.01 0.82 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 91 N 8.33 4.68 0.00 2.95 2.85 0.00 0.00 7.06 7.23 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 92 M 8.14 4.23 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 93 Y 8.12 4.45 0.00 3.26 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 94 K 8.11 4.07 0.00 2.28 1.68 0.00 1.79 0.00 0.00 1.42 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.82 7.81 95 E 8.22 3.89 0.00 2.16 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 2.21 1.83 0.00 96 L 7.76 3.52 0.00 1.52 0.35 -0.34 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 97 E 9.11 4.14 0.00 2.23 2.15 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 0.00 2.40 2.74 0.00 98 N 7.61 4.61 0.00 2.78 2.77 0.00 0.00 6.99 6.92 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 99 T 8.81 4.27 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 1.24 0.00 0.00 100 I 7.35 4.25 1.90 0.00 0.00 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 1.46 0.86 0.73 0.00 0.00 101 P 0.00 4.45 0.00 2.11 2.11 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 102 G 8.67 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 0.00 103 F 8.34 4.19 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.03 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 0.92 0.00 0.00 105 R 5.84 4.38 0.00 1.84 1.74 0.00 3.33 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.11 0.00 106 P 0.00 4.49 0.00 1.85 1.87 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 107 N 8.26 5.09 0.00 2.81 2.83 0.00 0.00 5.80 7.90 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 0.00 108 H 7.30 4.64 0.00 3.30 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.94 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 0.00 110 Y 8.20 4.86 0.00 2.87 2.95 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 0.00 111 L 8.22 4.17 0.00 1.40 0.83 0.46 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 112 E 6.88 3.47 0.00 1.16 1.58 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 1.55 1.47 0.00 113 S 7.88 4.14 0.00 4.09 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 0.00 114 W 8.40 4.46 0.00 3.59 3.24 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 0.00 115 A 7.84 4.39 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.38 0.00 1.83 2.04 0.00 3.33 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 117 Q 7.48 4.31 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 118 G 8.44 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 0.00 119 V 7.65 4.38 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 1.12 0.00 0.00 0.66 0.00 0.00 120 L 9.31 4.34 0.00 1.81 1.47 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.65 5.12 0.00 1.68 1.75 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.44 4.73 0.00 1.68 1.45 0.77 0.42 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 0.00 123 N 8.82 4.86 0.00 2.47 2.91 0.00 0.00 7.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.71 4.46 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 125 V 7.48 4.52 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 0.92 0.00 0.00 1.00 0.00 0.00 126 L 7.28 3.74 0.00 0.27 0.67 0.49 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 127 T 6.91 4.84 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 1.16 0.00 0.00 128 V 7.89 4.46 2.15 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 0.79 0.00 0.00 1.06 0.00 0.00 129 R 8.44 4.45 0.00 1.79 1.83 0.00 3.31 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 130 A 7.86 4.41 1.13 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 0.00 131 G 9.42 4.04 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 0.00 0.00 0.00 132 Q 7.98 4.38 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 133 A 7.94 4.06 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 0.00 134 H 9.28 4.04 0.00 3.32 3.33 0.00 5.59 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 0.00 135 S 7.95 4.20 0.00 4.06 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 0.00 136 H 8.14 4.86 0.00 3.41 3.48 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.60 4.54 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 0.00 0.00 0.00 0.00 0.00 138 S 7.88 4.73 0.00 3.83 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 0.00 139 L 8.02 4.03 0.00 1.40 1.33 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.25 4.02 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 0.00 141 W 8.49 4.75 0.00 3.47 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 0.00 142 E 8.46 4.28 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 2.45 2.40 0.00 143 T 8.10 3.82 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 1.21 0.00 0.00 144 F 8.28 5.06 0.00 3.91 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 0.00 145 T 8.86 3.90 4.83 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 1.29 0.00 0.00 146 D 8.42 4.37 0.00 2.90 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 0.00 147 K 7.77 3.82 0.00 1.89 1.87 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.49 7.81 148 V 7.37 3.67 2.25 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 1.18 0.00 0.00 0.61 0.00 0.00 149 I 7.66 3.87 2.06 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 1.53 0.87 1.06 0.00 0.00 150 S 8.34 4.12 0.00 3.89 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 0.00 151 L 8.71 4.06 0.00 2.00 1.71 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.36 3.70 2.20 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 1.64 1.83 1.03 0.00 0.00 153 N 8.28 4.50 0.00 2.67 3.14 0.00 0.00 7.31 6.68 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 0.00 154 Q 8.16 4.21 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 155 H 8.67 4.80 0.00 3.09 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.46 4.81 0.00 2.05 1.87 0.00 3.25 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 157 E 8.40 4.64 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 158 G 8.73 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 0.00 0.00 0.00 0.00 159 V 8.16 4.31 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 0.85 0.00 0.00 1.12 0.00 0.00 160 V 8.30 4.43 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 0.79 0.00 0.00 0.99 0.00 0.00 161 F 9.20 4.48 0.00 2.98 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 0.00 162 L 8.63 4.25 0.00 1.23 0.75 0.81 0.75 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 0.00 163 L 8.64 4.49 0.00 1.57 1.65 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 164 W 7.72 5.87 0.00 3.19 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 0.00 165 G 8.99 4.22 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 0.00 166 S 8.73 4.13 0.00 3.87 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 0.00 167 H 8.42 4.29 0.00 3.26 3.30 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.96 4.10 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 0.00 169 Q 8.11 4.05 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.06 0.00 0.00 0.00 0.00 0.00 2.71 2.27 0.00 *170 K 8.94 3.70 0.00 1.83 1.62 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 0.98 7.81 171 K 8.55 4.04 0.00 1.79 1.44 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.07 7.81 172 G 5.70 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 0.00 173 A 7.88 4.52 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 0.00 174 I 7.56 4.21 1.83 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 1.38 0.93 0.87 0.00 0.00 175 I 7.36 4.26 1.37 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.07 0.25 0.00 0.00 176 D 8.17 4.54 0.00 2.72 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 0.00 177 K 8.21 3.74 0.00 1.70 1.85 0.00 1.79 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.50 7.81 178 Q 8.11 4.40 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 179 R 8.43 4.15 0.00 1.98 1.66 0.00 3.15 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 180 H 8.04 5.38 0.00 2.84 3.50 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 H 8.53 4.26 0.00 1.40 2.15 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.02 4.47 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 0.79 0.00 0.00 0.68 0.00 0.00 183 L 8.10 4.34 0.00 1.34 1.20 0.67 0.55 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 0.00 184 K 8.55 5.41 0.00 1.64 1.76 0.00 1.87 0.00 0.00 1.22 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.23 7.81 185 A 8.05 4.50 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 0.00 186 P 0.00 4.72 0.00 1.91 1.99 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 187 H 8.67 4.00 0.00 3.15 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 3.08 0.00 1.85 0.79 0.00 3.07 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.00 189 S 8.01 4.17 0.00 3.82 3.76 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 0.00 190 P 0.00 4.48 0.00 2.29 2.38 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 191 L 7.76 4.58 0.00 1.60 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 192 S 7.79 4.57 0.00 3.76 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 0.00 193 A 8.47 3.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 H 8.37 4.44 0.00 3.25 3.49 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 R 7.42 4.40 0.00 1.92 1.78 0.00 3.25 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 196 G 7.83 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 0.00 197 F 8.54 4.62 0.00 2.74 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 0.00 198 F 8.02 4.02 0.00 2.98 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 0.00 199 G 7.96 3.65 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 0.00 0.00 0.00 200 C 7.52 4.16 0.00 3.15 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 0.00 201 N 8.18 5.20 0.00 2.62 2.74 0.00 0.00 6.59 7.90 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 0.00 202 H 8.34 3.98 0.00 2.73 3.06 0.00 5.61 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 0.00 203 F 7.28 3.61 0.00 2.60 1.72 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 0.00 204 V 7.67 3.87 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 0.97 0.00 0.00 0.98 0.00 0.00 205 L 8.46 4.07 0.00 1.88 1.78 1.03 0.62 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 0.00 206 A 8.33 4.13 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 N 8.23 4.52 0.00 3.28 3.01 0.00 0.00 6.61 7.62 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 0.00 208 Q 8.28 4.01 0.00 2.45 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 209 W 8.39 3.94 0.00 3.50 3.33 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 0.00 210 L 8.53 4.23 0.00 1.98 1.80 0.97 1.33 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 0.00 211 E 8.75 4.03 0.00 1.94 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 2.25 2.22 0.00 212 Q 7.86 4.34 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 213 R 7.57 4.43 0.00 1.84 1.82 0.00 3.01 0.00 0.00 3.48 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.77 0.00 214 G 8.49 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 0.00 0.00 0.00 215 E 7.63 4.15 0.00 2.11 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 2.31 2.28 0.00 216 T 8.24 3.99 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 1.20 0.00 0.00 217 P 0.00 4.48 0.00 2.22 2.11 0.00 3.76 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 1.98 2.00 0.00 218 I 9.01 4.20 1.27 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.42 -0.45 0.00 0.00 219 D 8.62 4.54 0.00 2.54 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 W 8.38 4.00 0.00 3.22 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 0.00 221 M 8.09 4.59 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 222 P 0.00 4.72 0.00 2.08 1.98 0.00 3.61 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.41 0.00 223 V 8.01 4.50 2.14 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 0.69 0.00 0.00 0.95 0.00 0.00 224 L 8.12 4.92 0.00 1.56 1.53 0.68 0.84 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 0.00 225 P 0.00 4.45 0.00 2.19 2.10 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.