NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3615 8.3149 120.0852 56.3964 33.1497 176.2968 4 I 3.6884 7.7495 121.0389 61.0162 36.6624 173.1313 5 R 4.8631 8.6078 127.6410 54.3954 32.9989 173.7465 6 I 5.5511 8.4448 120.2346 58.5132 39.9500 174.7225 7 K 5.1077 8.6734 125.4409 54.6793 35.3542 175.1103 8 L 5.5616 9.3956 122.8441 52.8601 46.4908 176.1266 9 R 5.4497 8.1131 121.4239 54.9793 32.8410 174.1683 10 G 4.0712 8.4607 112.4279 44.2814 0.0000 171.6392 11 F 5.3362 8.5503 117.4076 57.0965 39.3538 175.5794 12 D 4.4332 7.7952 121.6075 52.9700 42.7039 175.3142 13 H 4.1714 8.7141 120.4181 56.7129 28.2634 174.6153 14 K 4.4005 8.7432 119.6611 58.6491 33.9282 180.5521 15 T 4.3725 7.7208 108.9549 60.6735 67.9384 174.1685 16 L 4.8748 10.0099 124.8093 57.1610 49.8100 175.7463 17 D 4.1884 8.3110 117.2930 57.5626 40.7721 178.4115 18 A 4.0129 7.8693 120.4901 55.0527 19.0915 179.4282 19 S 3.9310 8.1793 111.8150 61.5741 62.4284 176.4203 20 A 4.0439 8.6385 124.9080 54.7609 18.4737 178.7337 21 Q 4.1445 7.8103 116.7741 57.6026 29.0690 176.9330 22 K 4.3448 8.4312 119.0839 57.1804 33.5431 176.5300 23 I 4.5711 7.0955 117.7479 59.9146 36.6751 173.7542 24 V 4.5615 6.8290 122.7939 63.7382 39.1710 175.3442 25 E 3.5294 8.2391 118.1315 58.5563 29.6774 177.5007 26 A 4.8432 7.6801 121.9178 51.3591 19.5714 176.6490 27 A 5.2886 7.6000 123.2616 55.7742 26.3000 179.6995 28 R 3.9124 8.8628 115.8271 59.7300 30.2065 179.5473 29 R 4.4327 7.4022 113.3652 56.8696 29.5371 176.9719 30 S 4.6478 8.3198 111.2622 57.5011 65.2801 173.7677 31 G 3.9552 8.8779 108.8023 45.4411 0.0000 172.2935 32 A 3.9206 8.9953 124.1687 52.7833 18.8302 177.4392 33 Q 4.1286 8.5283 120.8815 56.0784 30.4576 176.3298 34 V 4.7349 8.0603 120.4599 60.6973 34.1748 175.2330 35 S 4.2028 8.5034 122.4126 58.3889 63.1918 174.1783 36 G 3.8699 8.7926 113.3477 44.3400 0.0000 170.7831 37 P 4.2989 0.0000 0.0000 62.4679 31.0807 176.1898 38 I 4.0976 8.3989 119.2730 59.8086 38.5711 173.7359 39 P 4.7838 0.0000 0.0000 62.4347 31.9048 175.5312 40 L 5.0400 8.0022 122.9127 52.5949 43.9836 174.4660 41 P 4.1490 0.0000 0.0000 64.1432 31.2196 176.1684 42 T 4.2583 8.2945 118.8566 63.1657 70.2134 174.9233 43 R 4.3212 8.5270 123.3431 54.7303 31.3865 175.4418 44 V 3.8161 8.1928 124.6162 62.1844 30.6779 174.9885 45 R 4.2680 8.5422 128.4078 55.0767 29.0762 175.5980 46 R 4.4011 8.0332 123.5240 56.0102 31.6925 174.3885 47 F 4.7178 8.3713 118.3021 57.3483 43.8571 174.5221 48 T 4.4881 8.4952 112.6101 63.0859 72.0377 174.1770 49 V 4.3617 8.1717 125.9055 60.5906 34.8250 173.1571 50 I 3.6828 8.6742 118.8587 61.1300 36.8062 174.9843 51 R 3.6956 8.2024 124.2635 58.3777 30.4560 176.5631 52 G 4.0690 7.9872 110.1143 45.7364 0.0000 171.4217 53 P 4.6475 0.0000 0.0000 63.6460 33.2954 176.3825 54 F 4.7670 7.8126 117.3294 58.2447 38.8677 177.9245 55 K 4.5096 8.6628 118.5440 55.1563 33.5640 175.7964 56 H 4.6745 8.8197 121.0455 57.9134 30.4322 177.5643 57 K 4.7018 7.7453 121.0715 59.1423 33.1562 177.0858 58 D 4.4738 8.7075 124.2258 56.4997 41.1156 178.4929 59 S 3.6553 7.3281 118.8611 59.9785 59.7435 171.5123 60 R 4.8541 7.8640 127.9201 55.0371 32.6286 174.3545 61 E 4.5457 8.0308 119.5779 56.3245 33.0448 175.0838 62 H 4.8989 8.7778 122.6089 53.5467 31.4168 172.5672 63 F 5.2473 8.4333 114.9125 55.3040 42.1220 172.4684 64 E 5.3431 8.6992 116.0532 54.8089 33.0960 174.7636 65 L 4.2131 8.2682 120.7520 53.7618 44.7669 175.9267 66 R 4.2022 8.3310 126.6336 55.9769 30.7190 176.9005 67 T 4.6031 8.4713 121.4055 61.1020 67.9201 173.5018 68 H 4.8076 9.0947 126.6828 55.6627 29.9959 174.3203 69 N 5.4702 8.7932 118.8836 51.6287 41.5991 173.7394 70 R 4.8916 9.5375 122.0883 54.4314 34.8485 174.0190 71 L 5.2136 8.4032 124.2296 53.4923 46.0302 175.0596 72 V 4.7621 9.0532 124.9952 61.3420 35.0403 173.8702 73 D 5.3695 8.5251 125.1467 52.7517 44.6702 174.9532 74 I 4.6622 7.5969 110.7657 60.0989 40.0565 174.9954 75 I 3.8768 8.2553 120.9487 63.3735 37.8060 176.2062 76 N 4.8485 7.8888 126.0934 49.3517 39.9027 172.7513 77 P 4.4349 0.0000 0.0000 63.1415 32.0482 176.2882 78 N 4.9609 8.3188 116.0651 50.8813 42.8852 176.0733 79 R 4.0546 8.7355 124.4084 58.4462 30.3746 178.5040 80 K 4.1483 7.9507 119.9122 59.2069 32.3272 178.4453 81 T 3.8629 7.8716 109.6971 64.8841 68.5437 175.9881 82 I 3.6887 7.5468 122.2502 64.3501 36.9956 177.6921 83 E 4.1040 7.6152 118.4841 59.0346 29.3315 178.3362 84 Q 4.3414 7.6834 116.6160 58.0012 29.5430 177.8150 85 L 4.0119 8.4369 119.4289 57.5290 42.0442 178.0959 86 M 4.4749 8.2904 117.4992 55.2717 31.9117 176.2731 87 T 4.6915 6.9630 107.4218 62.5560 76.4400 174.2241 88 L 4.4282 7.7856 129.2614 53.2175 41.6610 178.4799 89 D 4.8908 7.3223 130.2397 52.2815 40.8318 177.4470 90 L 4.3177 8.5208 127.3202 56.3798 40.5834 171.2866 91 P 4.8708 0.0000 0.0000 60.8853 33.7700 174.5662 92 T 3.9426 8.7955 118.3982 64.6355 67.1737 175.1677 93 G 4.1098 7.4142 111.1434 44.4403 0.0000 170.7455 94 V 4.3641 7.6196 123.5324 61.3352 34.9163 173.6115 95 E 4.6516 8.7632 128.4280 55.5460 31.7769 174.2873 96 I 5.6594 7.7725 115.9979 60.0750 41.3498 173.4024 97 E 4.7124 8.5551 119.9916 54.6123 33.6403 174.5072 98 I 4.6373 8.4453 124.0938 59.4666 39.5717 174.4009 99 K 4.7086 8.1288 126.9592 54.5528 36.1292 176.6504 100 T 4.4384 7.9496 116.6330 62.7564 68.7269 175.4951 *101 V 3.9215 7.5916 121.2778 60.9379 32.3498 176.9771 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 K 8.31 4.36 0.00 1.66 1.94 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 4 I 7.75 3.69 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 1.23 1.04 0.91 0.00 0.00 5 R 8.61 4.86 0.00 2.00 1.76 0.00 3.13 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 6 I 8.44 5.55 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 1.32 1.55 0.94 0.00 0.00 7 K 8.67 5.11 0.00 1.71 1.73 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 8 L 9.40 5.56 0.00 1.49 1.51 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.11 5.45 0.00 1.64 1.93 0.00 3.24 0.00 0.00 3.99 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.49 0.00 10 G 8.46 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 0.00 0.00 0.00 11 F 8.55 5.34 0.00 2.96 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 12 D 7.80 4.43 0.00 2.66 2.47 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 0.00 0.00 0.00 13 H 8.71 4.17 0.00 3.25 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.74 4.40 0.00 1.65 1.98 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.31 7.81 15 T 7.72 4.37 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 1.30 0.00 0.00 16 L 10.01 4.87 0.00 1.62 1.85 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.31 4.19 0.00 2.98 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 18 A 7.87 4.01 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 19 S 8.18 3.93 0.00 4.05 4.15 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 20 A 8.64 4.04 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 21 Q 7.81 4.14 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 22 K 8.43 4.34 0.00 1.90 1.94 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 I 7.10 4.57 2.00 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 1.18 0.96 0.91 0.00 0.00 24 V 6.83 4.56 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 0.97 0.00 0.00 0.96 0.00 0.00 25 E 8.24 3.53 0.00 2.18 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 0.00 2.37 2.32 0.00 26 A 7.68 4.84 1.32 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 0.00 0.00 27 A 7.60 5.29 1.29 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 0.00 0.00 28 R 8.86 3.91 0.00 1.83 1.99 0.00 3.13 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 29 R 7.40 4.43 0.00 1.88 2.26 0.00 3.20 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 30 S 8.32 4.65 0.00 3.97 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 31 G 8.88 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 32 A 9.00 3.92 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 Q 8.53 4.13 0.00 1.98 2.08 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 2.46 2.35 0.00 34 V 8.06 4.73 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 0.88 0.00 0.00 0.97 0.00 0.00 35 S 8.50 4.20 0.00 3.96 3.88 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 36 G 8.79 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 P 0.00 4.30 0.00 2.06 2.06 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 2.03 2.08 0.00 38 I 8.40 4.10 1.88 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 1.52 0.83 0.95 0.00 0.00 39 P 0.00 4.78 0.00 2.11 2.11 0.00 3.71 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 1.99 1.97 0.00 40 L 8.00 5.04 0.00 1.50 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.15 0.00 2.19 2.14 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 42 T 8.29 4.26 4.15 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 1.02 0.00 0.00 43 R 8.53 4.32 0.00 1.75 1.88 0.00 3.28 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 44 V 8.19 3.82 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 0.88 0.00 0.00 0.98 0.00 0.00 45 R 8.54 4.27 0.00 1.94 1.92 0.00 3.28 0.00 0.00 3.49 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 46 R 8.03 4.40 0.00 1.71 1.91 0.00 3.23 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 47 F 8.37 4.72 0.00 3.38 3.16 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 48 T 8.50 4.49 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 1.21 0.00 0.00 49 V 8.17 4.36 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 0.79 0.00 0.00 1.00 0.00 0.00 50 I 8.67 3.68 1.88 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 1.43 0.87 0.90 0.00 0.00 51 R 8.20 3.70 0.00 1.80 1.88 0.00 3.21 0.00 0.00 3.20 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 52 G 7.99 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 0.00 0.00 0.00 53 P 0.00 4.65 0.00 2.30 2.24 0.00 3.82 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 2.09 1.99 0.00 54 F 7.81 4.77 0.00 2.91 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 0.00 0.00 0.00 55 K 8.66 4.51 0.00 1.62 1.58 0.00 0.99 0.00 0.00 1.16 0.00 0.00 2.65 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.14 1.27 7.81 56 H 8.82 4.67 0.00 3.15 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.75 4.70 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.44 7.81 58 D 8.71 4.47 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.33 3.66 0.00 3.90 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 60 R 7.86 4.85 0.00 1.63 1.90 0.00 3.16 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 61 E 8.03 4.55 0.00 1.93 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 1.68 2.06 0.00 62 H 8.78 4.90 0.00 3.28 3.09 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.43 5.25 0.00 2.93 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 64 E 8.70 5.34 0.00 2.02 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 0.00 2.21 2.28 0.00 65 L 8.27 4.21 0.00 1.55 1.47 0.23 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.33 4.20 0.00 1.72 1.82 0.00 3.30 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 67 T 8.47 4.60 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 1.33 0.00 0.00 68 H 9.09 4.81 0.00 3.54 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.79 5.47 0.00 2.63 2.71 0.00 0.00 6.83 7.66 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 70 R 9.54 4.89 0.00 1.78 1.77 0.00 3.25 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 71 L 8.40 5.21 0.00 1.66 1.44 0.95 0.67 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 72 V 9.05 4.76 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 0.99 0.00 0.00 0.94 0.00 0.00 73 D 8.53 5.37 0.00 2.62 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 74 I 7.60 4.66 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 0.38 0.91 0.00 0.00 75 I 8.26 3.88 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 1.43 0.59 0.91 0.00 0.00 76 N 7.89 4.85 0.00 2.67 2.78 0.00 0.00 6.90 8.02 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 77 P 0.00 4.43 0.00 2.17 2.06 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 78 N 8.32 4.96 0.00 2.69 2.69 0.00 0.00 6.93 7.66 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 79 R 8.74 4.05 0.00 1.78 2.00 0.00 3.36 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 7.95 4.15 0.00 1.82 1.79 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 81 T 7.87 3.86 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 1.22 0.00 0.00 82 I 7.55 3.69 2.01 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 1.65 0.85 0.91 0.00 0.00 83 E 7.62 4.10 0.00 1.91 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 0.00 2.33 2.38 0.00 84 Q 7.68 4.34 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 85 L 8.44 4.01 0.00 1.55 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.29 4.47 0.00 1.89 2.04 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 2.57 2.51 0.00 87 T 6.96 4.69 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 88 L 7.79 4.43 0.00 1.55 1.64 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.32 4.89 0.00 2.70 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 0.00 0.00 0.00 90 L 8.52 4.32 0.00 1.64 1.94 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.87 0.00 2.23 1.98 0.00 3.82 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 92 T 8.80 3.94 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 93 G 7.41 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.62 4.36 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 0.90 0.00 0.00 95 E 8.76 4.65 0.00 2.07 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 2.31 2.33 0.00 96 I 7.77 5.66 1.86 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 1.35 1.32 0.90 0.00 0.00 97 E 8.56 4.71 0.00 1.95 1.82 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 2.28 2.22 0.00 98 I 8.45 4.64 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 1.34 0.71 0.91 0.00 0.00 99 K 8.13 4.71 0.00 1.82 1.68 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.52 7.81 100 T 7.95 4.44 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 *101 V 7.59 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.