NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2867 8.4444 120.2306 55.6917 30.9275 175.1735 6 Q 3.7644 8.6833 124.0896 55.8681 29.4044 174.6970 7 I 3.9938 9.0659 126.8194 63.4587 39.5242 175.6286 8 L 4.4112 7.8548 118.9270 54.5844 42.5588 176.8286 9 V 4.2943 8.7845 122.1378 61.3513 33.1859 174.3295 10 L 5.1265 8.4376 127.4582 52.9888 44.4397 174.6269 11 D 5.0657 8.7669 123.9576 51.5492 43.3803 173.7213 12 P 4.6622 0.0000 0.0000 61.8021 32.1582 174.9288 13 P 4.4464 0.0000 0.0000 64.8184 31.8366 176.6830 14 S 4.7877 7.6972 109.8521 58.5608 68.9664 173.7882 15 D 5.2988 8.0594 119.4812 52.3685 44.3720 174.8902 16 L 4.5149 9.2015 123.7154 53.0642 43.7066 175.4554 17 K 5.1070 8.4160 123.6608 54.8596 34.2896 175.8958 18 F 4.8600 9.9572 123.7693 55.6059 41.7599 174.3033 19 K 4.6145 8.8279 126.3170 55.1347 32.7332 176.6320 20 G 2.5382 7.9636 115.8699 44.2065 0.0000 170.4450 21 P 4.1583 0.0000 0.0000 62.2697 32.3637 176.0072 22 F 4.9599 8.0755 115.7545 57.4826 39.9096 177.4195 23 T 3.9702 7.9394 112.3096 63.1570 69.1348 173.0341 24 D 5.0415 7.5158 120.1448 51.5505 44.8273 175.2070 25 V 4.0242 8.4027 120.8652 63.1537 32.2314 175.0232 26 V 4.5002 8.6941 127.2559 61.4872 33.9387 174.0948 27 T 5.3678 8.7051 124.1091 62.2888 70.7643 173.8877 28 T 4.6039 9.0586 121.5602 61.7727 72.5545 172.4797 29 N 5.2197 8.5306 121.2172 51.5737 40.8432 174.1020 30 L 4.5026 8.7363 125.6093 53.1306 44.6444 175.2033 31 K 4.7138 9.0730 127.5348 55.7323 33.7609 176.0543 32 L 4.8709 9.0392 125.6823 53.1020 44.1874 175.0322 33 Q 4.8107 8.9996 126.6878 54.3715 31.5749 174.1155 34 N 5.0135 9.1316 126.8875 51.6201 38.5637 173.4608 35 P 4.4441 0.0000 0.0000 63.7988 31.9937 177.1087 36 S 4.5676 8.0240 114.7198 57.8008 64.4706 173.4402 37 D 4.8689 8.4662 117.4259 53.1702 39.2758 175.9951 38 R 4.7951 7.6126 116.9199 54.5658 34.3124 175.3380 39 K 4.4527 8.7337 120.9945 56.6467 33.7405 175.9895 40 V 4.8235 8.8304 123.2378 61.4415 34.4704 174.2496 41 C 5.2438 9.0678 126.1216 58.8658 30.1481 172.7062 42 F 5.8318 9.0613 116.5040 55.4524 41.7052 173.3834 43 K 4.9535 9.1588 120.4589 55.0352 35.8122 174.7011 44 V 4.9621 8.7458 127.2649 61.3600 33.2484 174.9122 45 K 4.7680 9.2386 126.1129 55.1031 36.4930 174.9107 46 T 4.6874 7.8749 114.9560 60.7684 69.8334 173.8521 47 T 4.0226 8.3161 116.6154 62.7079 69.6655 174.5786 48 A 4.6600 7.4255 125.1150 49.5985 18.6483 174.6806 49 P 4.2759 0.0000 0.0000 65.2824 31.9029 179.7717 50 R 3.7573 7.8857 116.1458 58.1393 30.3838 177.2722 51 R 4.1082 7.9809 116.0984 56.7174 30.6757 175.2502 52 Y 5.4312 7.2887 114.0246 56.4836 42.4993 174.2136 53 C 4.9688 9.1695 119.0210 58.1163 31.1072 173.1617 54 V 4.9988 8.5203 122.3163 61.2514 33.9957 174.8014 55 R 4.7827 9.2757 126.9124 53.8060 33.6572 173.0990 56 P 4.9137 0.0000 0.0000 62.6415 32.4257 176.1203 57 N 4.9576 8.9289 117.9299 53.7099 38.5933 174.3105 58 S 4.4260 6.9348 112.2956 57.2939 65.7488 175.1230 59 G 3.6690 5.7549 106.3942 45.9271 0.0000 171.3765 60 V 4.9320 8.1555 118.4606 61.1990 35.0237 176.1760 61 I 4.6444 9.2548 127.9372 59.3303 39.9370 175.0495 62 D 4.8808 8.8414 127.3122 53.2608 42.1356 174.4171 63 P 4.4598 0.0000 0.0000 64.5347 31.5120 177.0259 64 G 3.9181 8.7155 109.5831 45.5145 0.0000 173.1370 65 S 4.8102 7.8150 115.8657 56.9735 66.0242 172.7076 66 I 5.1016 8.0690 119.8330 59.5759 40.9192 174.5085 67 V 4.5203 8.9739 122.0621 59.8434 35.1209 174.4903 68 T 4.8664 8.5128 121.4431 61.9373 70.2176 173.9942 69 V 4.1547 9.1591 128.3525 61.6910 33.5383 174.4404 70 S 4.9394 9.2551 123.4798 57.2621 64.0192 172.6633 71 V 4.7595 8.8372 127.6717 61.6672 33.7666 174.2711 72 M 5.1443 9.3817 129.8409 53.4678 33.9040 174.9690 73 L 4.2743 9.2452 128.1188 54.4895 43.0935 176.4321 74 Q 4.5733 8.3507 126.2768 54.9423 29.4443 174.6492 75 P 4.9043 0.0000 0.0000 63.4805 32.1075 175.2321 76 F 4.7545 8.4428 114.8092 56.1751 41.1451 173.9239 77 D 4.3114 8.8667 120.0574 54.5391 39.3353 175.2826 78 Y 4.1409 8.1302 126.3460 56.9424 39.4970 173.8801 79 D 4.5500 8.3244 127.4120 51.5177 41.2575 174.6734 80 P 3.8692 0.0000 0.0000 64.4437 31.2629 177.0800 81 N 4.4881 8.5463 115.1491 53.5942 38.8824 174.2475 82 E 4.3910 8.1720 120.8479 54.2493 30.4324 174.9830 83 K 4.3800 8.2695 127.4331 54.8126 33.6662 175.9635 84 S 3.8766 8.1114 119.2535 58.1601 62.7003 173.7406 85 K 4.3688 8.0273 125.7742 56.3209 33.0618 175.8181 86 H 4.6212 7.8185 116.0503 56.7206 29.9658 174.5695 87 K 5.2368 8.9965 119.9637 54.9041 36.9646 175.1503 88 F 5.2507 9.5423 119.7111 56.0219 43.4690 173.9612 89 M 5.1668 9.0448 119.9381 53.9823 35.8624 173.9310 90 V 4.8359 9.0552 126.6322 61.5551 33.7650 174.0373 91 Q 5.2716 9.2411 128.4784 54.7076 30.8713 175.1714 92 T 5.5582 9.4174 113.1787 60.5682 72.9939 172.3615 93 I 4.6521 8.2981 120.7827 59.6227 41.9060 173.7518 94 F 4.7252 8.4559 126.1459 57.0675 39.7229 175.1167 95 A 4.1480 9.2788 126.7037 51.3659 18.6076 176.0890 96 P 4.5042 0.0000 0.0000 61.4081 32.7021 175.0556 97 P 4.1969 0.0000 0.0000 65.8326 31.2002 178.1950 *100 S 4.4901 7.7945 111.4270 57.6921 64.3401 173.8617 101 D 4.8299 7.4643 117.1419 52.2454 44.7889 176.1521 102 M 4.1148 8.6406 125.8527 58.0020 32.1224 178.3977 103 E 4.0122 8.5072 118.9033 59.7207 29.7353 179.0561 104 A 4.0342 8.3086 119.9087 55.3004 17.8234 179.7865 105 V 3.3421 7.3027 115.6331 66.1122 31.4571 178.4880 106 W 4.4477 7.8101 117.1108 59.0115 28.9010 178.1052 107 K 4.3048 7.8045 117.7057 59.1839 32.5527 178.5776 108 E 4.1619 7.9796 118.0812 57.1608 29.6665 177.1741 109 A 4.2405 7.0648 121.3655 52.3357 18.9924 177.2946 110 K 4.4203 8.8339 122.8385 55.0103 33.5267 176.7592 111 P 4.3062 0.0000 0.0000 65.4044 31.5594 178.5204 112 D 4.4776 8.1717 116.8237 55.9997 39.1803 177.2849 113 E 4.2427 8.1935 118.4248 57.7566 29.9395 176.4642 114 L 4.7795 7.5544 118.8358 54.0423 42.8997 176.2301 115 M 4.9489 9.1819 122.2664 53.6819 35.7308 174.4461 116 D 5.4154 8.6322 120.0529 52.7630 45.0799 175.0968 117 S 4.8942 9.4046 117.6107 56.6793 66.5607 173.1593 118 K 5.1982 8.6556 121.5971 54.6863 34.9145 175.5189 119 L 5.0628 9.1852 123.0694 53.0018 45.9611 175.3578 120 R 4.7975 8.8652 123.2735 55.2770 31.8463 175.2764 121 C 5.1554 8.7132 123.8232 59.5254 29.7604 173.4056 122 V 4.3998 9.5091 121.4903 61.4302 34.5293 173.9363 123 F 5.7076 8.9980 126.9520 56.4843 40.0886 174.8737 124 E 4.9062 9.1718 124.5146 54.5210 32.9498 175.6678 125 M 4.2446 8.5028 121.6934 55.6630 32.6511 175.2327 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 5 E 8.44 4.29 0.00 2.00 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 2.23 2.33 0.00 6 Q 8.68 3.76 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 7 I 9.07 3.99 1.81 0.00 0.00 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 1.65 0.89 0.63 0.00 0.00 8 L 7.85 4.41 0.00 1.57 1.54 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.78 4.29 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 1.03 0.00 0.00 0.93 0.00 0.00 10 L 8.44 5.13 0.00 1.62 1.71 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.77 5.07 0.00 2.68 2.45 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 12 P 0.00 4.66 0.00 2.27 1.98 0.00 3.71 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 1.95 1.85 0.00 13 P 0.00 4.45 0.00 2.19 2.20 0.00 3.36 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 14 S 7.70 4.79 0.00 3.87 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 15 D 8.06 5.30 0.00 2.53 2.59 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 16 L 9.20 4.51 0.00 1.62 1.33 0.47 0.58 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 17 K 8.42 5.11 0.00 1.58 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 18 F 9.96 4.86 0.00 3.24 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 19 K 8.83 4.61 0.00 1.74 1.67 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.38 7.81 20 G 7.96 2.54 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 0.00 21 P 0.00 4.16 0.00 1.92 1.95 0.00 3.50 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 1.82 1.88 0.00 22 F 8.08 4.96 0.00 2.46 2.54 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 23 T 7.94 3.97 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 1.18 0.00 0.00 24 D 7.52 5.04 0.00 2.64 2.54 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 25 V 8.40 4.02 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 0.86 0.00 0.00 0.97 0.00 0.00 26 V 8.69 4.50 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 1.23 0.00 0.00 0.95 0.00 0.00 27 T 8.71 5.37 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 28 T 9.06 4.60 3.56 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 0.99 0.00 0.00 29 N 8.53 5.22 0.00 2.52 2.66 0.00 0.00 6.70 7.85 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 30 L 8.74 4.50 0.00 1.52 1.35 0.85 0.32 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 31 K 9.07 4.71 0.00 1.82 1.65 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 32 L 9.04 4.87 0.00 1.32 1.33 0.08 0.48 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 33 Q 9.00 4.81 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 34 N 9.13 5.01 0.00 2.90 2.85 0.00 0.00 6.58 7.38 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 35 P 0.00 4.44 0.00 2.24 2.31 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 36 S 8.02 4.57 0.00 4.14 4.08 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 37 D 8.47 4.87 0.00 2.78 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 38 R 7.61 4.80 0.00 1.67 1.84 0.00 2.73 0.00 0.00 2.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 39 K 8.73 4.45 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.47 7.81 40 V 8.83 4.82 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 0.98 0.00 0.00 1.07 0.00 0.00 41 C 9.07 5.24 0.00 2.60 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 42 F 9.06 5.83 0.00 3.16 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 43 K 9.16 4.95 0.00 1.29 0.93 0.00 1.13 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 1.10 7.81 44 V 8.75 4.96 2.22 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 1.13 0.00 0.00 1.15 0.00 0.00 45 K 9.24 4.77 0.00 1.57 1.52 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.23 7.81 46 T 7.87 4.69 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 0.93 0.00 0.00 47 T 8.32 4.02 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 1.14 0.00 0.00 48 A 7.43 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.28 0.00 2.19 2.28 0.00 3.69 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 2.03 1.94 0.00 50 R 7.89 3.76 0.00 1.77 1.99 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 51 R 7.98 4.11 0.00 1.60 1.27 0.00 3.00 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 52 Y 7.29 5.43 0.00 2.93 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 53 C 9.17 4.97 0.00 2.94 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 54 V 8.52 5.00 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 0.96 0.00 0.00 1.23 0.00 0.00 55 R 9.28 4.78 0.00 1.77 1.82 0.00 3.22 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 56 P 0.00 4.91 0.00 2.42 2.14 0.00 3.86 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 2.37 2.18 0.00 57 N 8.93 4.96 0.00 2.91 3.33 0.00 0.00 5.64 7.64 0.00 0.00 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 S 6.93 4.43 0.00 3.93 3.71 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 59 G 5.75 3.67 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 0.00 0.00 0.00 60 V 8.16 4.93 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 0.94 0.00 0.00 0.89 0.00 0.00 61 I 9.25 4.64 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 0.95 0.00 0.00 62 D 8.84 4.88 0.00 2.71 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 63 P 0.00 4.46 0.00 2.19 2.14 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 64 G 8.72 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 65 S 7.82 4.81 0.00 3.97 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 66 I 8.07 5.10 1.86 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 1.32 0.99 0.90 0.00 0.00 67 V 8.97 4.52 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 0.74 0.00 0.00 0.72 0.00 0.00 68 T 8.51 4.87 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 1.20 0.00 0.00 69 V 9.16 4.15 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 1.02 0.00 0.00 0.79 0.00 0.00 70 S 9.26 4.94 0.00 3.91 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 71 V 8.84 4.76 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 0.88 0.00 0.00 0.67 0.00 0.00 72 M 9.38 5.14 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 73 L 9.25 4.27 0.00 1.49 1.76 0.00 -0.32 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 74 Q 8.35 4.57 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 75 P 0.00 4.90 0.00 2.11 2.21 0.00 3.83 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 2.02 2.00 0.00 76 F 8.44 4.75 0.00 3.00 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 77 D 8.87 4.31 0.00 2.73 2.74 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 78 Y 8.13 4.14 0.00 2.55 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.32 4.55 0.00 2.62 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 80 P 0.00 3.87 0.00 2.20 2.15 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 81 N 8.55 4.49 0.00 2.78 2.87 0.00 0.00 6.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.17 4.39 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 83 K 8.27 4.38 0.00 1.73 1.64 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.44 7.81 84 S 8.11 3.88 0.00 2.72 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.03 4.37 0.00 1.65 1.71 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.39 7.81 86 H 7.82 4.62 0.00 3.20 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.00 5.24 0.00 1.62 1.73 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.55 7.81 88 F 9.54 5.25 0.00 2.80 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 89 M 9.04 5.17 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 90 V 9.06 4.84 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 0.78 0.00 0.00 0.93 0.00 0.00 91 Q 9.24 5.27 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.44 0.00 0.00 0.00 0.00 0.00 2.48 2.20 0.00 92 T 9.42 5.56 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 93 I 8.30 4.65 1.79 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 1.12 1.38 0.30 0.00 0.00 94 F 8.46 4.73 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.28 4.15 1.21 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 0.00 0.00 96 P 0.00 4.50 0.00 2.14 2.03 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 97 P 0.00 4.20 0.00 2.04 2.13 0.00 3.68 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 2.01 2.09 0.00 *100 S 7.79 4.49 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.46 4.83 0.00 2.72 2.45 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 0.00 102 M 8.64 4.11 0.00 2.16 2.15 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 2.69 2.56 0.00 103 E 8.51 4.01 0.00 2.24 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 2.38 2.52 0.00 104 A 8.31 4.03 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 0.00 105 V 7.30 3.34 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.87 0.00 0.00 106 W 7.81 4.45 0.00 3.32 3.19 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 0.00 107 K 7.80 4.30 0.00 1.93 2.00 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 108 E 7.98 4.16 0.00 2.15 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 2.34 2.45 0.00 109 A 7.06 4.24 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 0.00 110 K 8.83 4.42 0.00 1.88 1.96 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 111 P 0.00 4.31 0.00 2.20 2.12 0.00 3.63 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 2.13 2.09 0.00 112 D 8.17 4.48 0.00 2.79 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 0.00 113 E 8.19 4.24 0.00 2.08 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 0.00 2.37 2.47 0.00 114 L 7.55 4.78 0.00 1.81 1.66 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 M 9.18 4.95 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 116 D 8.63 5.42 0.00 2.51 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 0.00 0.00 0.00 0.00 117 S 9.40 4.89 0.00 3.68 3.71 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 0.00 118 K 8.66 5.20 0.00 1.61 1.70 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.43 7.81 119 L 9.19 5.06 0.00 1.58 1.51 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.87 4.80 0.00 1.89 1.95 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 121 C 8.71 5.16 0.00 2.99 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 0.00 122 V 9.51 4.40 2.21 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 1.08 0.00 0.00 0.98 0.00 0.00 123 F 9.00 5.71 0.00 3.13 2.75 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 0.00 124 E 9.17 4.91 0.00 2.18 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 2.26 2.30 0.00 125 M 8.50 4.24 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 * Residues marked with a * may have inaccurate shift predictions.