NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6874 8.3044 120.3345 54.9818 32.6266 174.9349 2 Q 3.9369 9.1304 125.9397 56.1775 29.8591 175.7705 3 F 4.0275 9.1274 119.3764 58.1666 38.7406 174.9910 4 K 4.7871 7.6175 120.9420 55.1699 34.3401 175.3708 5 V 4.7037 8.1971 120.8520 61.5168 34.2361 174.0380 6 Y 5.4772 8.4321 124.0934 55.3303 42.4425 173.4142 7 T 4.6510 7.9248 109.7843 61.7008 71.6789 174.4516 8 Y 4.8886 8.4736 114.0883 58.3320 40.4578 176.3188 *14 Y 4.8666 7.8409 116.1457 57.0088 39.7571 176.4099 15 R 3.6970 6.7289 119.1495 58.0894 30.6512 172.0052 16 L 3.6451 8.1809 125.1274 53.8108 42.0528 173.4411 17 F 5.3545 7.8359 116.8481 55.7183 41.7761 173.0578 18 V 4.9109 9.0954 121.6535 61.2488 33.8526 174.0952 19 D 4.9360 9.0685 128.3707 54.3015 41.9303 176.4476 20 V 4.1928 8.5036 118.1182 60.9764 32.8872 175.8166 21 Q 4.1718 8.1290 122.1651 54.8683 30.0735 175.6377 22 S 4.1994 8.2983 117.7406 58.5838 62.9495 174.7832 23 D 4.5803 8.4982 125.0876 56.1774 41.1315 177.8633 24 I 3.8307 7.4373 120.4029 63.5602 37.2932 176.2710 25 I 4.2464 7.1664 121.2310 60.1743 37.0460 175.2838 26 D 4.7116 8.3833 121.8993 52.8236 41.7717 176.0875 27 T 3.9189 8.1766 114.6217 64.7112 67.3995 172.4554 28 P 4.5270 0.0000 0.0000 62.1339 32.2904 176.4160 29 G 4.0291 8.3964 108.5594 46.7220 0.0000 173.0585 30 R 5.1954 7.8174 117.0557 54.0801 34.6728 174.9700 31 R 4.5980 8.7454 121.3842 54.6798 34.0008 174.0437 32 M 4.6570 8.4909 125.1692 55.1760 33.2996 175.4439 33 V 4.9342 8.8589 123.0512 61.0813 36.1223 174.0296 34 I 4.8844 8.6629 126.2564 58.6216 39.7460 173.5970 35 P 4.9549 0.0000 0.0000 62.9338 32.6504 175.1655 36 L 5.3827 8.6542 121.4644 53.3371 43.8624 175.7798 37 A 5.0922 9.0649 123.0008 49.7769 23.2399 175.6580 38 S 3.5470 8.7815 114.2726 58.0187 63.0223 175.3428 39 A 3.9895 8.3520 130.8706 55.2501 18.3074 179.7500 40 R 3.9773 7.6742 113.6055 58.9149 30.2398 177.8401 41 L 4.1690 7.7429 116.7247 55.9380 41.9120 176.8878 42 L 4.7247 7.3205 118.2301 52.4068 44.7423 176.6314 43 S 4.4473 8.2442 116.8158 57.7317 63.9605 174.7561 44 D 4.5392 8.4043 119.9418 56.3961 40.6411 177.9518 45 K 4.1212 7.5257 117.4895 57.7592 32.3218 177.2041 46 V 3.8276 7.4119 119.6591 61.6176 32.0809 175.3667 47 S 4.0581 8.9217 120.8767 59.3900 62.0476 174.8861 48 R 4.5830 8.5966 124.8425 56.8035 30.7199 178.3233 49 E 3.9200 8.2015 118.7556 59.0454 30.0274 177.4041 50 L 3.9584 7.8312 119.1069 57.3973 42.3523 176.4966 51 Y 4.9379 7.5525 117.6943 54.2078 37.4051 173.4926 52 P 4.6818 0.0000 0.0000 62.1208 33.3544 175.0146 53 V 4.8066 8.3425 122.1374 61.5139 33.0911 175.1761 54 V 4.7063 9.1078 120.5374 59.8641 35.9295 174.0006 55 H 5.5547 8.8432 118.2576 54.3737 31.5689 174.3259 56 I 4.3050 8.6222 123.1126 60.4215 39.7634 175.2276 57 G 3.9010 9.6561 116.2039 46.3730 0.0000 170.5951 58 D 5.1303 8.2836 125.1600 54.9201 39.8387 175.8615 59 E 4.1205 7.8720 117.1970 56.4941 30.4603 175.6990 60 S 5.2185 8.0651 116.4702 56.8532 65.6000 173.3354 61 W 5.5069 9.3460 123.0402 55.0726 33.5233 174.2986 62 R 5.1215 9.4790 121.9317 54.9614 32.0051 175.3870 63 M 4.5801 8.9311 123.3492 54.3661 33.1632 176.7929 64 M 4.9510 8.8988 128.1504 53.8331 30.9302 176.9689 65 T 3.8306 8.2372 119.9339 67.0120 69.1395 176.4440 66 T 4.0943 7.9807 107.5998 63.0695 69.0212 174.2802 67 D 4.8713 8.0454 121.9542 54.2436 41.2195 175.8839 68 M 4.3978 7.4224 119.0528 56.5955 32.7014 175.3306 69 A 4.6630 8.8259 124.9568 50.7868 23.5634 174.9042 70 S 4.7232 8.4908 114.7088 57.5349 63.4205 173.5598 71 V 4.3858 8.3530 126.7865 60.1215 34.6698 173.1682 72 P 4.6983 0.0000 0.0000 62.4163 32.0379 178.0233 73 V 3.5920 8.7072 116.6865 64.1636 31.6171 178.6100 74 S 4.2228 7.9622 112.9453 60.1681 63.2200 175.0134 75 V 4.0970 7.5589 113.6532 61.0017 32.0700 175.3009 76 I 3.9858 7.1842 122.2991 60.8255 37.9074 175.9325 77 G 4.1373 8.6609 120.4717 46.4101 0.0000 173.1168 78 E 4.4223 8.7865 122.0469 56.0409 31.1987 176.0191 79 E 3.9230 8.4934 124.6240 56.2958 29.4709 176.5677 80 V 4.1189 9.0769 127.2916 63.2842 33.3505 175.3645 81 A 4.4678 7.1115 120.4117 51.0007 22.9006 174.2894 82 D 4.9553 8.5161 117.9585 52.2188 43.9223 175.6555 83 L 4.6544 8.9177 126.9663 54.4399 42.7032 179.0436 84 S 3.6402 8.5095 118.5287 61.7200 62.8442 176.5151 85 H 4.2978 8.0326 113.9100 57.4134 28.6466 176.4703 86 R 4.4286 7.5907 119.1919 55.8447 30.0992 176.9459 87 E 3.3917 7.4838 122.5854 59.5776 29.3440 178.7358 88 N 4.3019 7.9912 116.0881 56.8304 39.1190 176.4674 89 D 4.3737 8.0059 119.7999 57.3687 41.0498 178.6272 90 I 3.7809 7.8928 120.3648 64.2464 37.0744 178.3395 91 K 4.0440 8.4334 120.6260 59.7594 32.0456 178.5955 92 N 4.3590 8.3123 116.5272 56.0620 38.4120 177.2733 93 A 4.0021 8.1378 122.1740 55.2786 18.5138 179.7752 94 I 3.5502 7.7996 118.1962 64.7137 37.1679 178.5571 95 N 4.5615 8.5385 117.5234 56.1082 38.3370 177.3415 96 L 4.0717 8.0745 122.0032 58.3296 41.9848 178.6559 97 M 3.7366 7.5416 117.0600 58.1047 32.0884 177.7155 98 F 4.0563 7.1846 116.1652 58.8653 39.5081 176.8601 99 W 4.9536 7.6721 115.0019 55.6650 29.7233 176.4323 100 G 3.8103 8.7073 106.8775 46.2407 0.0000 174.2988 101 I 3.5436 7.6450 121.2204 61.7861 36.5429 174.0724 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 1 M 8.30 4.69 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 Q 9.13 3.94 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.09 0.00 0.00 0.00 0.00 0.00 1.28 1.93 0.00 3 F 9.13 4.03 0.00 3.35 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.62 4.79 0.00 1.82 1.24 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.62 7.81 5 V 8.20 4.70 1.83 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 0.71 0.00 0.00 0.82 0.00 0.00 6 Y 8.43 5.48 0.00 2.05 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 7 T 7.92 4.65 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 1.04 0.00 0.00 8 Y 8.47 4.89 0.00 2.85 3.08 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 *14 Y 7.84 4.87 0.00 3.20 3.15 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 0.00 0.00 0.00 15 R 6.73 3.70 0.00 1.10 1.70 0.00 3.28 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.63 0.00 16 L 8.18 3.65 0.00 1.44 1.24 -0.57 0.53 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 17 F 7.84 5.35 0.00 2.98 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 18 V 9.10 4.91 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.97 0.00 0.00 19 D 9.07 4.94 0.00 3.04 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 20 V 8.50 4.19 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 0.74 0.00 0.00 0.92 0.00 0.00 21 Q 8.13 4.17 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 S 8.30 4.20 0.00 3.87 3.69 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 23 D 8.50 4.58 0.00 2.73 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 24 I 7.44 3.83 1.87 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 1.30 0.34 0.91 0.00 0.00 25 I 7.17 4.25 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.89 0.00 0.00 26 D 8.38 4.71 0.00 2.67 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 27 T 8.18 3.92 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 1.19 0.00 0.00 28 P 0.00 4.53 0.00 2.04 1.92 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 29 G 8.40 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 30 R 7.82 5.20 0.00 1.58 1.70 0.00 3.11 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 31 R 8.75 4.60 0.00 1.72 1.55 0.00 3.06 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 32 M 8.49 4.66 0.00 1.97 1.93 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 2.66 2.44 0.00 33 V 8.86 4.93 1.76 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 0.79 0.00 0.00 0.79 0.00 0.00 34 I 8.66 4.88 1.93 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 1.30 0.52 0.97 0.00 0.00 35 P 0.00 4.95 0.00 2.20 2.26 0.00 3.71 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 2.13 0.00 36 L 8.65 5.38 0.00 1.37 1.69 0.60 0.74 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 37 A 9.06 5.09 1.28 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 0.00 0.00 0.00 38 S 8.78 3.55 0.00 3.49 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 39 A 8.35 3.99 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 40 R 7.67 3.98 0.00 1.68 1.94 0.00 3.07 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 41 L 7.74 4.17 0.00 1.80 1.68 0.87 0.78 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 42 L 7.32 4.72 0.00 1.48 1.45 0.85 0.99 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 43 S 8.24 4.45 0.00 3.98 3.97 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 44 D 8.40 4.54 0.00 2.67 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 45 K 7.53 4.12 0.00 1.75 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.51 7.81 46 V 7.41 3.83 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 0.62 0.00 0.00 0.90 0.00 0.00 47 S 8.92 4.06 0.00 3.94 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 48 R 8.60 4.58 0.00 1.95 1.99 0.00 3.48 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 49 E 8.20 3.92 0.00 1.93 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 0.00 2.29 2.30 0.00 50 L 7.83 3.96 0.00 1.46 1.42 0.57 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.55 4.94 0.00 3.09 2.86 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 52 P 0.00 4.68 0.00 2.13 2.02 0.00 3.88 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 2.14 2.07 0.00 53 V 8.34 4.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 54 V 9.11 4.71 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 0.73 0.00 0.00 1.07 0.00 0.00 55 H 8.84 5.55 0.00 3.04 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.62 4.31 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.85 0.00 0.00 57 G 9.66 3.90 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 0.00 58 D 8.28 5.13 0.00 2.90 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 59 E 7.87 4.12 0.00 2.15 1.47 0.00 0.00 0.00 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 2.37 0.00 60 S 8.07 5.22 0.00 3.64 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 61 W 9.35 5.51 0.00 3.19 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 62 R 9.48 5.12 0.00 1.74 1.90 0.00 3.39 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 63 M 8.93 4.58 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 64 M 8.90 4.95 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 65 T 8.24 3.83 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 1.02 0.00 0.00 66 T 7.98 4.09 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 1.11 0.00 0.00 67 D 8.05 4.87 0.00 2.83 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 68 M 7.42 4.40 0.00 1.97 2.10 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 2.71 2.53 0.00 69 A 8.83 4.66 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.49 4.72 0.00 3.86 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 71 V 8.35 4.39 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 0.59 0.00 0.00 0.72 0.00 0.00 72 P 0.00 4.70 0.00 2.15 1.90 0.00 3.56 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 2.06 2.05 0.00 73 V 8.71 3.59 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 0.80 0.00 0.00 0.92 0.00 0.00 74 S 7.96 4.22 0.00 3.95 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 75 V 7.56 4.10 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 0.89 0.00 0.00 0.78 0.00 0.00 76 I 7.18 3.99 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.55 0.00 0.00 77 G 8.66 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 0.00 0.00 0.00 0.00 78 E 8.79 4.42 0.00 1.92 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 2.42 2.27 0.00 79 E 8.49 3.92 0.00 1.86 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 1.92 1.62 0.00 80 V 9.08 4.12 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 0.50 0.00 0.00 0.84 0.00 0.00 81 A 7.11 4.47 1.15 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 0.00 0.00 0.00 0.00 0.00 82 D 8.52 4.96 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.92 4.65 0.00 1.83 1.56 0.94 0.76 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 84 S 8.51 3.64 0.00 3.94 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 85 H 8.03 4.30 0.00 3.23 3.39 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.59 4.43 0.00 1.86 1.92 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.72 0.00 87 E 7.48 3.39 0.00 1.22 1.69 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 2.27 2.32 0.00 88 N 7.99 4.30 0.00 2.81 2.80 0.00 0.00 7.19 8.49 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 89 D 8.01 4.37 0.00 2.89 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 90 I 7.89 3.78 2.19 0.00 0.00 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 1.52 1.17 1.07 0.00 0.00 91 K 8.43 4.04 0.00 2.09 2.08 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.60 7.81 92 N 8.31 4.36 0.00 3.00 2.87 0.00 0.00 6.94 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 93 A 8.14 4.00 1.41 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 94 I 7.80 3.55 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 1.18 0.00 0.00 95 N 8.54 4.56 0.00 2.91 3.06 0.00 0.00 6.71 7.57 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 96 L 8.07 4.07 0.00 1.82 1.85 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.54 3.74 0.00 1.54 1.69 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.67 0.00 98 F 7.18 4.06 0.00 1.87 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 99 W 7.67 4.95 0.00 3.40 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 0.00 100 G 8.71 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 0.00 0.00 0.00 101 I 7.65 3.54 1.91 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 1.29 0.45 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.