NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.6858 8.1833 119.4265 57.6434 39.4969 175.2487 4 K 3.8460 8.3677 125.1998 57.9886 32.4842 176.7099 5 K 3.8461 8.2820 119.6238 59.8799 32.4409 178.2946 6 V 3.6168 7.9645 117.4367 65.9971 31.3635 177.6382 7 A 4.0146 8.0069 120.1481 55.0099 18.1716 179.8487 8 K 3.9679 7.9251 117.0699 59.6685 32.3167 179.4934 9 E 3.9852 8.2961 118.8536 59.7688 29.3450 179.6158 10 T 3.9608 8.2566 115.7235 66.3269 68.5697 176.8793 11 A 4.0584 8.2276 122.9451 55.0692 18.4789 179.7875 12 I 3.7223 8.0110 118.5557 64.7752 37.0924 178.8462 13 T 3.9275 7.8739 116.3101 66.5776 68.2950 176.6917 14 L 4.0638 8.0562 120.9523 58.0114 41.5190 179.4328 15 Q 4.0654 8.1410 119.2995 59.1722 28.4588 178.1177 16 S 4.2107 8.0852 113.6087 60.8848 62.4163 175.5749 17 Y 4.0508 8.2466 122.7076 60.6635 38.6436 177.6383 18 L 4.0142 8.7626 120.1410 57.8596 41.5614 179.8624 19 T 3.8316 7.6068 116.0611 66.6858 68.5380 175.7511 20 Y 3.9694 8.0265 121.7015 61.0309 38.8315 178.2757 21 Q 3.3362 7.9443 119.8789 58.8068 29.0795 177.9528 22 A 3.9281 7.9783 121.9107 55.1764 18.3971 179.8259 23 V 3.5949 7.8012 117.0444 65.7872 31.5087 178.3932 24 R 3.9036 7.5835 115.8756 58.7476 29.4628 178.2458 25 L 3.8604 7.5875 119.3030 58.1370 41.6432 179.5164 26 I 3.6835 7.7982 119.0091 64.5319 37.1084 178.5874 27 S 4.0844 8.0331 113.7985 61.4969 62.0257 175.7009 28 Q 3.9347 8.1568 119.8253 59.4083 28.9247 178.7516 29 Q 4.1365 8.4544 118.7702 59.5525 28.9650 179.7913 30 L 4.0922 8.4327 119.8889 57.5400 41.3657 179.7434 31 S 4.3660 7.8908 113.7801 61.0684 62.8187 176.0090 32 E 4.0636 7.9307 122.0924 59.2417 29.5946 177.9809 33 T 4.3839 7.7627 112.9906 64.3237 70.8309 175.1189 34 N 5.0624 8.4893 117.9689 50.0637 40.1167 172.9681 35 P 4.3550 0.0000 0.0000 66.0300 31.8194 178.4554 36 G 3.8737 8.2191 105.5836 47.7376 0.0000 175.1595 37 Q 4.0398 8.1488 121.2392 58.1633 28.9285 177.8528 38 A 4.1895 7.7343 122.0466 54.7074 18.9997 179.0251 39 I 3.6409 7.7513 118.3864 64.7846 37.2848 178.0384 40 W 4.2431 8.4149 128.5970 60.5499 30.2790 177.7832 41 L 3.9623 8.0948 120.0970 58.2608 41.4316 179.3387 42 G 3.6625 7.7476 103.9466 47.4685 0.0000 175.4575 43 E 4.0559 8.2470 120.8858 59.5736 29.6354 178.9190 44 F 3.4241 7.9219 121.0165 61.5849 39.0677 177.7306 45 S 4.4677 7.6356 113.4707 61.3654 62.6884 176.4721 46 K 4.1072 8.1092 120.4267 58.3693 31.7698 177.7590 47 R 4.3971 7.5320 116.2999 56.1607 32.0677 175.7124 48 H 4.7411 7.6020 113.8719 52.8206 31.3153 171.1934 49 P 4.3951 0.0000 0.0000 62.3924 31.6771 177.3047 50 I 3.1401 8.2286 122.9162 62.9202 38.3074 176.5967 51 Q 4.1716 8.0475 118.0156 58.5520 28.8972 177.2796 52 E 4.4125 7.5739 119.6194 54.7738 28.3080 176.9348 53 S 4.2671 8.2497 118.5844 61.3720 63.3740 176.3004 54 D 4.4264 8.1115 121.9649 57.2410 40.7054 178.5499 55 L 4.1104 8.0205 118.9471 57.8562 41.3694 178.8950 56 Y 4.2496 7.8388 118.8660 60.8374 38.8997 177.6915 57 L 4.2510 8.1625 118.5249 57.2991 41.7759 179.0445 58 E 4.3084 8.1444 118.1470 58.4024 30.6800 178.2314 59 A 4.3183 7.6860 122.7530 52.5616 15.6300 177.5088 *62 L 4.3034 7.8726 121.0651 53.8908 44.2306 177.7838 63 E 4.4733 7.7121 117.5674 57.0443 31.9408 176.2896 64 N 4.5333 7.5578 117.6859 51.1959 40.4494 174.3574 65 K 3.9223 8.4283 128.0674 58.9914 32.1407 178.4857 66 E 3.8780 8.0794 119.2390 59.3699 29.6599 178.7536 67 L 4.0537 7.8873 118.6380 57.2573 41.6738 179.5732 68 V 3.5602 7.4884 118.5429 66.0908 31.6620 177.9296 69 L 3.9791 7.7484 118.4259 57.9272 41.3563 179.6898 70 R 3.8942 7.8217 118.4001 59.3445 30.0540 178.3768 71 I 3.6949 7.7704 119.6769 64.5021 37.0316 178.2353 72 L 4.0015 8.0362 119.4555 58.1597 41.6074 179.7886 73 T 3.8358 7.7280 114.9836 66.8216 68.4952 177.0871 74 V 3.6777 8.0882 120.3810 65.6469 31.4791 178.0739 75 R 4.0482 8.0935 116.1443 58.8647 29.5388 178.3757 76 E 4.0128 8.0782 119.9029 58.8764 29.5635 178.6219 77 N 4.3354 7.9681 116.3611 56.1034 38.6734 177.0898 78 L 3.9562 7.9397 120.2036 58.0348 41.8014 179.5172 79 A 4.0627 8.0678 120.2969 55.3655 18.0726 179.5980 80 E 4.0611 8.1000 116.2398 59.4169 29.6560 179.4901 81 G 3.8444 8.1087 104.4754 46.5214 0.0000 174.9109 82 V 4.4875 7.6237 118.9609 64.2114 33.4473 177.4712 83 L 4.0700 8.1419 118.9288 57.5920 41.2606 178.9521 84 E 4.0279 7.9323 115.4013 58.2390 29.6759 178.0215 85 F 4.6222 7.7266 118.5487 58.9545 39.1664 177.8268 86 L 4.1117 7.5860 118.1916 57.3838 41.7962 177.0668 87 P 4.4650 0.0000 0.0000 65.4799 31.3555 178.0027 88 E 4.5223 7.8124 115.2867 56.8924 29.6001 179.2684 *90 V 3.9669 7.9914 119.6538 62.9152 33.4850 176.9942 91 L 3.9586 7.7333 120.7008 58.1591 41.9110 179.1274 92 S 4.1657 7.9968 113.8279 61.5444 62.9717 176.5238 93 Q 4.0207 8.0145 121.1922 58.6282 28.4748 178.6763 94 I 3.7440 8.0364 121.1183 64.2031 37.2120 178.4502 95 K 3.9519 8.0650 119.3796 59.4975 31.8346 179.4956 96 Q 3.8748 7.8943 117.8058 58.9774 28.7616 178.0914 97 S 3.9750 8.1506 114.4455 61.7047 62.2022 176.0483 98 N 4.4246 8.2847 118.7770 56.3859 38.2587 177.6102 99 G 3.5988 7.9722 106.8668 47.9537 0.0000 175.4182 100 N 4.3151 8.1310 119.1052 56.3485 38.5093 177.3142 101 H 4.3418 8.2770 117.6563 58.8828 27.3769 178.1396 102 R 3.9498 8.3694 120.2923 59.3976 29.9351 179.3618 103 R 4.1622 8.3609 117.8273 58.6910 29.8875 178.7388 104 S 4.5583 7.7924 113.9722 59.7671 62.3521 175.0964 105 L 4.2919 7.7975 120.1255 56.2042 41.7680 176.8363 106 L 4.6601 7.1936 115.8925 55.6415 43.5644 177.1274 107 E 3.8762 7.6354 120.6061 60.2243 29.9485 178.0638 108 R 4.1656 7.9783 122.3516 56.5491 29.4593 178.5414 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 F 8.18 4.69 0.00 3.17 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.37 3.85 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.54 7.81 5 K 8.28 3.85 0.00 1.84 1.86 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 6 V 7.96 3.62 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 1.03 0.00 0.00 0.95 0.00 0.00 7 A 8.01 4.01 1.44 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 0.00 0.00 0.00 8 K 7.93 3.97 0.00 1.90 1.88 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 9 E 8.30 3.99 0.00 2.03 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 2.34 2.57 0.00 10 T 8.26 3.96 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 1.19 0.00 0.00 11 A 8.23 4.06 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 12 I 8.01 3.72 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 0.93 0.00 0.00 13 T 7.87 3.93 4.36 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 1.19 0.00 0.00 14 L 8.06 4.06 0.00 2.03 1.78 0.93 0.67 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 15 Q 8.14 4.07 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 16 S 8.09 4.21 0.00 4.04 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 17 Y 8.25 4.05 0.00 3.23 3.14 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 18 L 8.76 4.01 0.00 1.73 1.74 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.61 3.83 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 20 Y 8.03 3.97 0.00 2.89 2.98 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 0.00 0.00 0.00 21 Q 7.94 3.34 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 22 A 7.98 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.80 3.59 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 1.10 0.00 0.00 1.07 0.00 0.00 24 R 7.58 3.90 0.00 1.97 1.98 0.00 2.47 0.00 0.00 2.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.44 0.00 25 L 7.59 3.86 0.00 1.91 1.74 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.80 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.92 0.00 0.00 27 S 8.03 4.08 0.00 3.93 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 28 Q 8.16 3.93 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 29 Q 8.45 4.14 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 30 L 8.43 4.09 0.00 1.79 1.74 0.94 0.71 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 31 S 7.89 4.37 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.93 4.06 0.00 2.03 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 0.00 2.32 2.34 0.00 33 T 7.76 4.38 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 34 N 8.49 5.06 0.00 2.63 2.67 0.00 0.00 6.65 8.05 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 35 P 0.00 4.35 0.00 2.27 2.33 0.00 3.72 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 2.08 2.05 0.00 36 G 8.22 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.15 4.04 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 38 A 7.73 4.19 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.75 3.64 2.07 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 1.45 0.73 0.99 0.00 0.00 40 W 8.41 4.24 0.00 3.40 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.09 3.96 0.00 2.23 1.91 1.04 1.09 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 42 G 7.75 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.25 4.06 0.00 2.07 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 0.00 2.31 2.31 0.00 44 F 7.92 3.42 0.00 1.79 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 45 S 7.64 4.47 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 46 K 8.11 4.11 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 47 R 7.53 4.40 0.00 1.53 1.85 0.00 3.05 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 48 H 7.60 4.74 0.00 2.88 3.08 0.00 5.72 0.00 0.00 0.00 0.00 7.01 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 4.40 0.00 2.21 2.18 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 50 I 8.23 3.14 1.23 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.13 0.80 0.00 0.00 51 Q 8.05 4.17 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.15 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 52 E 7.57 4.41 0.00 2.12 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 2.31 2.30 0.00 53 S 8.25 4.27 0.00 4.08 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 0.00 54 D 8.11 4.43 0.00 2.76 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 55 L 8.02 4.11 0.00 1.93 1.80 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.84 4.25 0.00 2.98 3.23 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 57 L 8.16 4.25 0.00 1.78 1.79 1.01 0.92 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 58 E 8.14 4.31 0.00 2.29 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 0.00 2.38 2.37 0.00 59 A 7.69 4.32 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 0.00 0.00 0.00 0.00 0.00 *62 L 7.87 4.30 0.00 2.00 1.86 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.71 4.47 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 64 N 7.56 4.53 0.00 1.98 2.27 0.00 0.00 7.21 6.17 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 65 K 8.43 3.92 0.00 1.78 1.81 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.47 7.81 66 E 8.08 3.88 0.00 1.95 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 2.33 2.35 0.00 67 L 7.89 4.05 0.00 1.67 1.71 0.87 1.29 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 68 V 7.49 3.56 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 1.05 0.00 0.00 0.94 0.00 0.00 69 L 7.75 3.98 0.00 1.90 1.71 0.94 0.73 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 70 R 7.82 3.89 0.00 1.94 2.03 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 71 I 7.77 3.69 2.10 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 1.57 0.68 0.98 0.00 0.00 72 L 8.04 4.00 0.00 1.86 1.74 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.73 3.84 4.40 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 1.21 0.00 0.00 74 V 8.09 3.68 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 1.03 0.00 0.00 0.98 0.00 0.00 75 R 8.09 4.05 0.00 2.10 2.39 0.00 3.01 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 76 E 8.08 4.01 0.00 2.03 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 0.00 2.32 2.36 0.00 77 N 7.97 4.34 0.00 2.98 2.85 0.00 0.00 6.90 6.32 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 78 L 7.94 3.96 0.00 2.00 1.76 0.93 0.87 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 79 A 8.07 4.06 1.42 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 80 E 8.10 4.06 0.00 2.00 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 2.45 2.48 0.00 81 G 8.11 3.84 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 0.00 0.00 0.00 82 V 7.62 4.49 2.43 0.00 0.00 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 1.02 0.00 0.00 83 L 8.14 4.07 0.00 1.86 1.71 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.93 4.03 0.00 1.87 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 1.47 1.47 0.00 85 F 7.73 4.62 0.00 3.30 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.59 4.11 0.00 1.81 1.76 0.97 0.86 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 87 P 0.00 4.47 0.00 2.16 2.12 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 88 E 7.81 4.52 0.00 2.15 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 2.35 2.27 0.00 *90 V 7.99 3.97 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 1.01 0.00 0.00 0.94 0.00 0.00 91 L 7.73 3.96 0.00 1.87 1.73 0.92 1.02 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 92 S 8.00 4.17 0.00 4.11 4.36 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 93 Q 8.01 4.02 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 94 I 8.04 3.74 1.94 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 1.50 0.76 0.89 0.00 0.00 95 K 8.06 3.95 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 96 Q 7.89 3.87 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 97 S 8.15 3.97 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.28 4.42 0.00 3.11 2.85 0.00 0.00 6.97 7.14 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 99 G 7.97 3.60 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 0.00 0.00 0.00 100 N 8.13 4.32 0.00 2.80 2.80 0.00 0.00 7.08 7.95 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 0.00 101 H 8.28 4.34 0.00 3.30 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.37 3.95 0.00 2.06 1.98 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 103 R 8.36 4.16 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 104 S 7.79 4.56 0.00 4.01 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 0.00 105 L 7.80 4.29 0.00 1.84 1.93 0.92 1.02 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 0.00 106 L 7.19 4.66 0.00 1.89 1.65 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.64 3.88 0.00 2.21 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 2.33 2.27 0.00 108 R 7.98 4.17 0.00 1.79 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.