NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 E 4.2856 8.3027 121.4845 57.1267 30.4469 175.0582 29 E 3.9100 8.6362 126.6594 56.5899 29.1048 172.2556 30 N 5.2354 8.3255 113.6356 49.8021 43.7934 171.8704 31 P 4.7611 0.0000 0.0000 63.0613 31.9712 176.2080 32 A 4.1694 8.6583 126.3869 50.9933 19.0718 175.9021 33 P 4.2632 0.0000 0.0000 62.4214 32.1255 176.1684 34 D 4.4881 8.4329 121.5241 54.3006 42.2719 174.9044 35 F 5.0065 7.5846 116.3428 56.7281 41.0986 172.9586 36 T 5.6024 8.5476 115.8532 61.8199 71.9595 173.3503 37 L 4.8997 8.5288 125.0079 52.9067 46.8687 175.2639 38 N 5.0327 8.6680 118.9373 53.4806 38.4796 175.6669 39 T 4.8463 8.8379 120.2261 62.3289 69.4770 175.5249 40 L 4.1447 8.4469 121.7506 56.7085 41.8656 177.5579 41 N 4.9119 7.5569 117.0839 52.3066 37.3910 176.2487 42 G 3.9193 8.3344 104.3962 47.0702 0.0000 173.4850 43 E 4.6356 7.4848 119.1095 54.9071 32.1450 174.9264 44 V 4.8890 8.2279 120.7805 61.2595 34.0323 174.7808 45 V 4.4995 8.4714 127.0363 60.9210 34.4703 173.9435 46 K 4.9107 8.2877 127.4888 54.5302 34.6031 176.4901 47 L 3.7313 8.4997 129.5846 58.2741 42.7221 178.9814 48 S 4.0279 8.5762 115.3903 61.9978 62.6793 176.3986 49 D 4.5545 7.5106 114.8459 55.8326 40.5941 176.9169 50 L 4.5294 7.9956 119.4841 53.8429 42.2722 176.3663 51 K 4.1702 7.4431 118.3765 58.4134 32.5397 175.4965 52 G 4.1227 9.0368 110.0794 45.0560 0.0000 173.7674 53 Q 4.8208 7.7889 117.4257 54.0567 31.6775 175.3513 54 V 4.4134 8.2200 122.2046 62.4379 32.8841 174.9666 55 V 4.6888 8.7623 127.7095 61.0275 34.6640 173.9479 56 I 4.8699 8.2628 128.2020 59.4565 39.5072 175.2002 57 V 4.2373 9.1740 127.4055 61.2615 33.5574 173.4039 58 N 5.2809 8.5570 127.4686 51.7551 41.5166 173.0712 59 F 5.5331 9.1626 125.0822 55.6711 41.5866 174.8549 60 W 5.3617 8.7140 119.0936 55.6242 32.0922 172.9849 61 A 3.9244 7.9223 120.2014 50.0893 21.6350 177.5218 62 T 3.0834 8.7450 117.4416 65.4653 68.5243 175.9653 63 W 4.6010 6.6016 115.8525 56.1479 28.6078 176.5095 64 C 4.8563 7.3683 119.7568 54.6641 40.8857 171.9367 65 P 4.3248 0.0000 0.0000 65.7125 31.0353 176.8642 66 P 4.4614 0.0000 0.0000 65.7187 31.0179 178.9395 67 C 4.2558 8.3123 114.2075 60.3240 35.8975 175.5640 68 R 4.2998 8.3541 119.1006 59.8808 29.6582 178.7751 69 E 4.0346 8.5808 118.0034 58.8001 29.7816 177.8709 70 E 4.3395 8.4664 116.3123 57.3327 29.9294 178.4688 71 I 3.4592 7.1546 121.3059 64.1167 37.2319 175.4264 72 P 4.0790 0.0000 0.0000 65.3146 31.5569 177.3811 73 S 4.3302 7.5178 114.0690 57.6934 61.2843 174.4080 *76 R 4.1758 8.1309 127.5742 56.9086 32.2106 177.6194 77 L 4.4377 7.8828 119.1244 57.7532 42.0645 178.1765 78 N 4.4516 8.1498 114.5249 56.6487 38.9081 176.0419 79 A 4.1360 7.9017 120.4527 54.8261 18.7840 180.8944 80 A 3.9824 7.9845 119.8930 51.8551 18.7117 178.5599 *82 A 4.2778 8.1178 126.0118 53.5812 20.1267 178.8905 83 G 3.5746 7.5928 103.7714 48.8157 0.0000 175.1853 84 K 4.2748 7.5349 120.3083 54.6592 33.5558 176.3400 85 P 4.7386 0.0000 0.0000 61.9253 30.1771 174.3951 86 F 5.3107 8.2144 128.0791 57.8584 43.2348 173.4496 87 R 4.0302 7.7755 121.6798 54.8335 34.8516 173.4686 *89 L 4.2444 8.4399 119.6301 55.7997 43.4846 176.4423 90 C 4.7612 8.6258 123.8369 58.3295 28.7844 173.0347 91 V 4.0062 8.5965 125.7113 62.2565 32.1832 174.8982 92 S 3.7902 8.8815 124.6581 57.7145 63.1483 174.1674 93 I 4.4523 7.5833 119.5977 60.4559 38.5416 175.6501 94 D 4.3668 7.3719 123.6975 55.0446 41.2175 176.9507 95 E 3.8736 9.3096 125.1843 59.5115 29.4326 178.1268 96 G 3.7826 8.2029 105.1893 45.6143 0.0000 174.8021 97 G 3.7823 7.5635 110.2457 46.4040 0.0000 175.9395 98 K 3.9229 8.7497 123.7840 59.0848 31.8329 178.1217 99 V 3.5671 7.7584 117.8561 65.9676 31.5163 177.7159 100 A 3.9684 7.6029 119.1297 55.1890 18.2342 179.7961 101 V 3.4444 7.8187 116.7746 65.9541 31.4669 178.0721 102 E 4.0249 8.5514 118.6849 59.5533 29.5303 178.8192 103 E 3.9732 8.4095 118.8377 59.7291 29.4716 179.4341 104 F 4.2999 8.3620 120.1999 61.4917 39.3989 177.2209 105 F 4.4235 8.2913 117.4392 60.4786 38.4813 177.5623 106 R 3.8844 8.1190 117.7071 59.5816 29.9407 178.4909 107 K 4.0821 7.7954 116.9651 58.7914 32.1268 178.5937 108 T 3.9509 7.2228 108.2909 60.5116 69.4276 175.4155 109 G 3.7423 7.7590 109.0209 46.3833 0.0000 173.6287 110 F 4.8984 7.5641 117.1603 56.6577 40.4239 175.2122 111 T 3.3176 7.5111 114.7925 60.7697 69.9729 172.7951 112 L 4.5500 7.3897 126.8644 52.3663 45.9306 174.7482 113 P 4.5315 0.0000 0.0000 63.0434 30.5020 175.1015 114 V 4.9961 8.2180 126.9284 61.9957 34.5174 173.9545 115 L 5.1024 8.6030 123.3461 53.1129 46.4323 175.1349 116 L 4.9357 8.6514 121.6605 52.5022 43.6748 176.5773 117 D 4.7456 8.5337 123.7853 52.7753 41.6475 176.7238 118 A 4.1476 8.3367 123.3484 55.4156 18.5471 178.8077 119 D 4.4873 7.9776 111.7078 53.1751 40.1230 177.3219 120 K 4.0015 8.5613 119.3571 57.1476 30.9939 177.3510 121 R 3.8769 8.1792 120.2773 59.7407 29.6082 178.4504 122 V 3.8884 8.0466 116.7355 65.3672 31.8362 177.9107 123 G 3.4189 8.5144 105.8386 47.7075 0.0000 175.6503 124 K 3.8886 8.2998 121.9635 58.9874 31.8687 178.9679 125 L 4.0307 7.5323 118.9235 58.4139 42.0203 177.9498 126 Y 3.7659 7.8637 113.7416 57.1133 38.2364 175.4340 127 G 3.9554 8.3804 108.5983 46.5371 0.0000 174.3857 128 T 4.6283 7.7028 107.7677 60.9695 69.7018 174.4300 129 T 4.2864 9.9374 120.8364 63.3277 69.5101 175.2212 130 G 4.0458 7.0856 106.1009 46.0273 0.0000 171.5170 131 V 4.8502 7.9099 111.3072 58.9221 35.9465 173.6907 132 P 5.5172 0.0000 0.0000 62.2283 33.0107 174.7128 133 E 5.2649 9.0576 121.6660 54.8960 33.4389 174.6339 134 T 5.0947 9.4772 120.8933 61.8309 71.9230 172.8396 135 F 5.2929 9.8699 125.7660 55.7805 41.9265 174.7220 136 V 4.8039 8.9079 124.0258 61.5155 33.3033 174.3376 137 I 5.1977 8.9196 129.5569 59.5872 40.3733 175.6995 138 D 5.2085 9.1530 127.3948 52.0949 41.4406 177.3722 139 R 4.1406 8.5233 113.1629 58.4281 29.3806 177.4553 140 H 4.7686 8.7400 115.0020 55.4920 29.0182 175.6236 141 G 3.8598 8.5412 108.3437 45.6062 0.0000 172.9498 142 V 4.4921 7.7346 119.1566 60.7610 33.3023 174.9274 143 I 4.5205 8.3284 128.2893 61.5037 37.5593 176.2674 144 L 4.7405 9.2444 127.7684 55.7875 44.7528 176.8027 145 K 4.6119 7.9723 116.4666 55.0465 36.6954 174.5000 146 K 4.6620 8.7133 125.9248 54.4437 34.4509 175.1080 147 V 4.4849 8.8270 126.9596 61.1109 34.6370 174.2732 148 V 4.6488 8.6050 120.4780 60.7049 33.7756 176.8288 149 G 3.9287 9.4771 110.7201 44.6953 0.0000 172.4136 150 A 4.8161 8.1513 121.2192 51.4710 18.6028 177.0495 *152 E 3.8563 8.3414 118.5352 56.0872 29.2678 175.3656 153 W 4.4539 8.8479 126.6974 57.6875 30.0226 177.0928 154 D 4.8776 7.9241 117.2523 54.0109 41.0443 175.2492 155 H 4.6882 7.9564 115.1547 54.7337 29.7341 174.4214 156 P 4.2183 0.0000 0.0000 66.2324 31.2108 178.7432 157 E 4.0102 8.1212 116.5866 59.2742 29.4249 179.4350 158 V 3.6682 7.8791 118.2398 66.0857 31.7405 177.7896 159 I 3.6671 7.9532 118.8910 64.6661 36.8415 177.7653 160 A 3.9943 7.8832 120.6273 55.3878 18.0764 179.5332 161 F 4.1595 8.1365 118.5145 61.1002 39.3714 177.5139 162 L 3.8443 8.1510 118.7342 57.7172 41.3903 178.5557 163 N 4.1357 7.6790 115.0055 56.6882 38.6151 176.1766 164 N 4.2719 7.5231 116.2166 57.0268 39.0173 175.8964 165 E 3.9405 7.2270 118.5360 59.6004 29.7593 177.9312 166 L 4.2538 7.9663 121.7113 55.2715 41.9421 177.0347 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 28 E 8.30 4.29 0.00 2.14 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 2.33 2.45 0.00 29 E 8.64 3.91 0.00 2.09 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 2.28 2.43 0.00 30 N 8.33 5.24 0.00 2.85 2.64 0.00 0.00 7.05 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 31 P 0.00 4.76 0.00 1.92 2.00 0.00 3.68 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 2.03 2.12 0.00 32 A 8.66 4.17 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 33 P 0.00 4.26 0.00 2.03 1.94 0.00 2.76 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.84 0.00 34 D 8.43 4.49 0.00 2.58 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 35 F 7.58 5.01 0.00 3.09 3.17 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 36 T 8.55 5.60 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 1.25 0.00 0.00 37 L 8.53 4.90 0.00 1.59 1.47 0.48 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.67 5.03 0.00 2.69 2.75 0.00 0.00 6.95 7.05 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 39 T 8.84 4.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 40 L 8.45 4.14 0.00 1.72 1.80 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.56 4.91 0.00 2.99 3.01 0.00 0.00 6.73 7.45 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 42 G 8.33 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 43 E 7.48 4.64 0.00 1.98 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 0.00 2.27 2.25 0.00 44 V 8.23 4.89 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 0.80 0.00 0.00 1.00 0.00 0.00 45 V 8.47 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 0.88 0.00 0.00 0.94 0.00 0.00 46 K 8.29 4.91 0.00 1.82 1.56 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.31 7.81 47 L 8.50 3.73 0.00 0.50 1.33 0.70 0.50 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 48 S 8.58 4.03 0.00 3.85 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 49 D 7.51 4.55 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.00 4.53 0.00 1.73 1.58 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.44 4.17 0.00 1.76 1.77 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.56 7.81 52 G 9.04 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 53 Q 7.79 4.82 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 54 V 8.22 4.41 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 1.17 0.00 0.00 0.95 0.00 0.00 55 V 8.76 4.69 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 0.94 0.00 0.00 0.89 0.00 0.00 56 I 8.26 4.87 1.70 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 1.17 0.89 0.65 0.00 0.00 57 V 9.17 4.24 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 0.20 0.00 0.00 0.98 0.00 0.00 58 N 8.56 5.28 0.00 2.61 2.40 0.00 0.00 6.73 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.16 5.53 0.00 3.12 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 60 W 8.71 5.36 0.00 3.40 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 61 A 7.92 3.92 -0.36 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 62 T 8.74 3.08 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 1.05 0.00 0.00 63 W 6.60 4.60 0.00 3.44 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 64 C 7.37 4.86 0.00 2.71 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 65 P 0.00 4.32 0.00 2.27 2.18 0.00 3.78 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 66 P 0.00 4.46 0.00 2.22 2.15 0.00 3.69 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 2.17 2.23 0.00 67 C 8.31 4.26 0.00 3.20 3.32 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 0.00 68 R 8.35 4.30 0.00 2.18 2.35 0.00 3.46 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 69 E 8.58 4.03 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 70 E 8.47 4.34 0.00 2.44 2.28 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 2.64 2.39 0.00 71 I 7.15 3.46 1.50 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 1.20 0.64 0.19 0.00 0.00 72 P 0.00 4.08 0.00 1.95 2.03 0.00 3.64 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.65 0.00 73 S 7.52 4.33 0.00 4.01 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 *76 R 8.13 4.18 0.00 2.05 2.18 0.00 3.13 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 77 L 7.88 4.44 0.00 1.86 1.75 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.15 4.45 0.00 2.74 2.83 0.00 0.00 6.92 7.96 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 79 A 7.90 4.14 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 80 A 7.98 3.98 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 *82 A 8.12 4.28 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 G 7.59 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 84 K 7.53 4.27 0.00 1.74 1.80 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.46 7.81 85 P 0.00 4.74 0.00 2.13 2.22 0.00 3.68 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 2.07 1.97 0.00 86 F 8.21 5.31 0.00 3.00 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 87 R 7.78 4.03 0.00 1.44 1.58 0.00 3.31 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 *89 L 8.44 4.24 0.00 1.55 1.64 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.63 4.76 0.00 2.84 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 91 V 8.60 4.01 1.46 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 0.74 0.00 0.00 0.37 0.00 0.00 92 S 8.88 3.79 0.00 3.13 3.46 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 93 I 7.58 4.45 1.84 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 1.13 0.74 0.92 0.00 0.00 94 D 7.37 4.37 0.00 2.43 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 95 E 9.31 3.87 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 96 G 8.20 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 97 G 7.56 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 98 K 8.75 3.92 0.00 1.84 1.81 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 99 V 7.76 3.57 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 1.11 0.00 0.00 0.94 0.00 0.00 100 A 7.60 3.97 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 0.00 101 V 7.82 3.44 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 0.69 0.00 0.00 0.74 0.00 0.00 102 E 8.55 4.02 0.00 2.03 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 2.59 2.54 0.00 103 E 8.41 3.97 0.00 2.20 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 2.37 2.55 0.00 104 F 8.36 4.30 0.00 3.18 3.17 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 0.00 105 F 8.29 4.42 0.00 3.27 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 0.00 106 R 8.12 3.88 0.00 2.00 1.97 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 107 K 7.80 4.08 0.00 1.98 1.75 0.00 1.64 0.00 0.00 2.06 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 108 T 7.22 3.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 109 G 7.76 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.56 4.90 0.00 2.97 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 0.00 111 T 7.51 3.32 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 1.05 0.00 0.00 112 L 7.39 4.55 0.00 1.68 1.40 0.52 0.86 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 0.00 113 P 0.00 4.53 0.00 2.08 2.20 0.00 3.58 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 2.00 1.92 0.00 114 V 8.22 5.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.39 0.00 0.00 115 L 8.60 5.10 0.00 1.54 1.42 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.65 4.94 0.00 1.47 1.53 0.92 1.15 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 0.00 117 D 8.53 4.75 0.00 2.60 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 A 8.34 4.15 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 0.00 119 D 7.98 4.49 0.00 2.79 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 0.00 120 K 8.56 4.00 0.00 1.93 1.97 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.51 7.81 121 R 8.18 3.88 0.00 1.97 2.22 0.00 3.20 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 122 V 8.05 3.89 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 0.68 0.00 0.00 0.88 0.00 0.00 123 G 8.51 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.30 3.89 0.00 1.77 1.86 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 125 L 7.53 4.03 0.00 1.92 2.03 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.86 3.77 0.00 2.77 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 0.00 127 G 8.38 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 7.70 4.63 4.33 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 0.94 0.00 0.00 129 T 9.94 4.29 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 130 G 7.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.91 4.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00 132 P 0.00 5.52 0.00 2.34 2.39 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 133 E 9.06 5.26 0.00 2.16 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 2.35 2.56 0.00 134 T 9.48 5.09 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 0.83 0.00 0.00 135 F 9.87 5.29 0.00 3.15 3.22 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 0.00 136 V 8.91 4.80 2.30 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 1.11 0.00 0.00 1.15 0.00 0.00 137 I 8.92 5.20 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.95 0.00 0.00 138 D 9.15 5.21 0.00 2.76 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 0.00 139 R 8.52 4.14 0.00 1.88 2.33 0.00 3.05 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 140 H 8.74 4.77 0.00 3.12 3.36 0.00 5.88 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 0.00 141 G 8.54 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.73 4.49 2.49 0.00 0.00 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 0.97 0.00 0.00 143 I 8.33 4.52 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 1.24 0.00 0.00 144 L 9.24 4.74 0.00 1.91 1.85 1.08 0.71 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 0.00 145 K 7.97 4.61 0.00 1.91 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.44 1.00 7.81 146 K 8.71 4.66 0.00 1.82 1.54 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.63 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.97 0.24 7.81 147 V 8.83 4.48 2.37 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 0.96 0.00 0.00 0.95 0.00 0.00 148 V 8.60 4.65 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 0.76 0.00 0.00 0.93 0.00 0.00 149 G 9.48 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 0.00 150 A 8.15 4.82 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 *152 E 8.34 3.86 0.00 1.70 1.52 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 1.90 2.10 0.00 153 W 8.85 4.45 0.00 3.27 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 0.00 154 D 7.92 4.88 0.00 2.90 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 0.00 155 H 7.96 4.69 0.00 3.29 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.22 0.00 2.11 2.12 0.00 3.48 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 2.06 2.19 0.00 157 E 8.12 4.01 0.00 2.09 1.99 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 2.40 1.94 0.00 158 V 7.88 3.67 2.23 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 1.30 0.00 0.00 0.88 0.00 0.00 159 I 7.95 3.67 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.64 0.88 0.00 0.00 160 A 7.88 3.99 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 0.00 0.00 161 F 8.14 4.16 0.00 3.23 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.15 3.84 0.00 1.73 1.68 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 163 N 7.68 4.14 0.00 2.73 2.87 0.00 0.00 7.04 8.16 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 0.00 164 N 7.52 4.27 0.00 2.68 2.70 0.00 0.00 7.34 8.92 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 0.00 165 E 7.23 3.94 0.00 1.82 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 1.67 2.21 0.00 166 L 7.97 4.25 0.00 1.67 1.60 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.