NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5259 8.3016 107.8444 45.7377 0.0000 173.4046 4 L 4.0735 8.5130 126.4593 54.5258 43.3968 170.4035 5 V 4.7445 8.6637 126.1004 61.1475 34.7641 173.6474 6 A 5.0045 8.7827 129.4900 50.1984 21.8394 174.9109 7 S 5.6729 7.9066 113.9573 55.8166 67.4294 173.8444 8 N 4.2956 8.9108 113.2968 54.0762 36.3340 175.9244 9 L 4.0794 7.2668 119.0069 53.6897 39.0644 175.6670 10 N 4.2286 7.7108 118.3075 54.7155 39.8924 173.3467 11 L 4.8199 8.8253 128.1830 53.0878 44.6744 175.4083 12 K 5.1659 8.9215 125.0080 53.6245 35.7113 174.0586 13 P 3.7516 0.0000 0.0000 63.3557 31.4360 177.0011 14 G 3.9922 8.7648 110.7890 45.2563 0.0000 173.3766 15 E 4.5065 7.7291 118.7449 55.3125 31.0500 174.7999 16 C 4.9160 8.4415 121.5644 57.6393 33.9851 172.1732 17 L 4.7071 8.7863 129.4164 53.6369 42.7946 175.2273 18 K 4.6189 8.7555 128.9798 54.6882 34.3793 174.8581 19 V 4.6297 8.8369 127.7103 61.0166 34.4222 174.0426 20 R 5.1064 8.5393 127.2744 54.8104 33.7238 174.2213 21 G 3.6746 8.7286 111.5026 45.3193 0.0000 170.6400 22 E 5.2237 8.3564 117.0547 54.2929 32.4248 175.7450 23 L 5.1485 9.2440 122.8196 53.5262 43.3861 176.5756 24 A 4.3933 8.6385 123.6406 51.4372 19.3937 176.9234 25 P 4.2583 0.0000 0.0000 65.4185 31.4713 177.7060 26 D 4.8439 7.8563 115.2459 52.6583 39.9997 176.1869 27 A 4.2880 8.2569 122.8752 54.2564 19.0405 177.6389 28 K 4.6489 9.3753 122.4309 57.8841 34.7783 176.4457 29 S 4.2561 7.7197 112.0559 57.6338 66.3303 172.7785 30 F 5.2029 7.5938 112.7175 56.1186 41.6035 173.1342 31 V 4.6417 9.5204 118.8252 61.1629 35.3951 174.1043 32 L 5.3232 8.9748 125.4449 53.2269 45.3767 175.0330 33 N 5.5927 9.4546 121.9994 51.4878 41.5347 173.9070 34 L 5.3382 9.9009 122.6566 51.9200 45.9613 177.0801 35 G 4.2989 7.9266 109.0431 46.9690 0.0000 174.6801 36 K 4.1947 8.8755 120.9102 57.9132 33.4922 175.6300 37 D 3.9182 7.1784 115.7091 51.9297 41.6632 175.4737 38 S 3.8677 7.8181 112.7139 60.7554 62.9255 174.5370 39 N 4.5907 8.8936 117.3041 53.0707 39.1985 173.7303 40 N 5.0906 7.8957 115.9442 51.0276 40.8176 171.5510 41 L 5.8042 8.8557 122.6826 52.1945 43.7101 176.9755 42 C 4.5073 8.9920 119.0568 60.0737 30.9494 173.6485 43 L 4.6358 7.8514 121.9969 54.0237 45.5763 173.8872 44 H 5.1850 9.2274 126.8660 54.3522 31.4004 171.0915 45 F 4.5542 9.1819 127.8027 57.0421 40.5373 173.5127 46 N 5.1181 8.5280 125.9248 49.4771 39.2971 171.2034 47 P 4.5210 0.0000 0.0000 62.0255 33.4590 175.6516 48 R 4.2031 8.8666 119.6984 54.6934 34.3008 175.7681 49 F 5.6769 7.7935 118.3900 56.1822 40.8498 175.2132 50 N 4.2287 7.4702 115.4475 53.2266 40.0748 173.0380 *55 A 3.9806 8.2372 128.1783 52.7098 18.8989 173.2309 56 N 4.7276 8.0758 118.4833 52.4045 35.6070 173.0515 57 T 4.6273 7.2401 115.4194 61.3212 71.7112 171.5045 58 I 4.4907 7.9031 124.2583 59.1518 39.2719 175.0505 59 V 3.9538 8.1154 128.2335 62.6708 32.7786 174.6582 60 C 5.5217 9.0449 124.4274 57.2859 32.4134 172.5513 61 N 5.4085 7.9059 119.1424 53.3060 42.0483 172.4719 62 S 5.3987 8.8740 113.5478 56.4876 67.3458 172.7666 63 K 4.7738 9.2282 121.9363 54.7118 35.1348 174.0994 64 D 4.9358 8.7906 127.3609 53.4482 43.5902 176.1300 65 D 4.2624 9.6288 125.8609 55.3196 40.0543 174.7779 66 G 3.7671 8.4351 109.4385 45.0825 0.0000 173.6667 67 T 4.3118 8.1523 111.8866 59.2084 70.3445 174.5271 68 W 4.8431 8.4606 125.3598 57.1078 30.2150 174.8190 69 G 4.5136 8.3774 107.4131 45.4833 0.0000 172.1087 70 T 4.2453 8.6735 118.6642 63.4163 69.0935 174.2044 71 E 4.4561 8.8648 128.8500 55.9035 30.3626 175.4501 72 Q 4.5935 9.1541 129.2733 55.3213 30.9754 174.5639 73 R 5.3781 9.3200 123.1255 52.6691 33.8146 175.3340 74 E 5.7655 7.9091 127.9865 57.4479 29.9033 175.1370 *81 P 4.0745 0.0000 0.0000 62.3989 32.4263 176.2529 82 G 4.1993 8.9571 104.8954 47.1350 0.0000 173.3545 83 S 4.7110 7.8230 114.6660 56.9757 66.4836 172.9688 84 I 5.1884 8.4974 120.1626 59.2863 38.9352 175.5358 85 T 4.5690 8.2187 118.5395 60.6437 71.9409 172.8303 86 E 5.1426 8.4670 120.5706 55.4357 32.7907 174.3241 87 V 4.5274 8.7592 126.5017 61.0908 35.5843 173.3787 *89 I 4.3370 8.1060 118.8668 61.8595 38.3595 175.2422 90 T 5.3044 8.8790 122.2162 62.3339 73.4193 172.4213 91 F 5.6073 8.6430 116.7866 56.9628 41.5529 172.3533 92 D 4.2338 8.2420 116.4926 52.6613 41.6385 174.5168 93 Q 4.0857 8.8136 116.8525 59.7559 29.0372 178.1404 94 A 4.1042 8.1963 120.3876 54.4399 18.8484 176.4355 95 D 5.1203 8.8852 113.2824 52.7014 43.4814 173.8745 96 L 4.9783 9.1134 119.3247 54.2821 43.9278 176.4420 97 T 4.6928 9.6417 118.9025 61.9886 71.9221 172.9926 98 I 4.1381 7.6882 127.9782 59.5867 38.9451 174.8492 99 K 4.6277 8.2043 128.0799 54.4544 33.9958 175.8177 100 L 4.4238 8.7920 128.3645 53.2649 42.4834 176.4382 101 P 4.3210 0.0000 0.0000 65.7647 31.0666 176.9054 102 D 4.5751 8.0949 116.3267 53.4843 39.5528 175.9307 103 G 4.0991 8.0996 109.2794 46.0433 0.0000 174.2667 104 H 4.3973 8.1465 119.2459 56.1759 30.4648 173.8191 105 E 4.8619 8.0963 122.2522 54.6066 32.6738 173.9045 106 F 5.1563 7.9585 115.0607 55.1899 41.9096 173.4693 107 K 5.2454 8.9264 117.4942 54.7365 35.5003 175.6785 108 F 5.0704 8.9579 124.0169 55.6793 42.7456 172.1912 109 P 4.4030 0.0000 0.0000 62.7360 31.8574 176.7444 110 N 4.7338 8.6654 122.6186 51.9080 37.5229 175.2607 111 R 3.9108 8.0501 121.6144 59.3051 30.7522 178.8528 112 L 4.0038 7.9203 115.2203 55.7805 42.0031 176.3698 113 N 4.2938 7.9421 115.7603 54.5792 37.3375 173.7571 114 M 4.4772 8.1338 113.4264 54.6782 32.8891 175.9028 115 E 4.5929 8.7245 118.5739 56.5747 30.4028 175.9469 116 A 5.0434 7.6973 120.7026 50.6932 22.4324 175.4135 117 I 4.4313 8.6253 122.1535 59.7724 39.5349 175.7886 118 N 5.0433 9.2079 123.2864 52.9315 40.7189 173.4722 119 Y 5.2960 7.8795 120.3345 56.0368 42.6553 173.5416 120 M 5.5951 8.5859 124.3283 53.2286 36.5581 173.4902 121 A 5.0207 8.2633 124.8572 50.5811 23.0623 174.7542 122 A 5.3323 8.8951 124.2240 50.7192 22.2367 175.1310 123 D 4.6560 9.1394 117.7993 54.7892 45.2178 174.9797 124 G 3.8829 8.8944 108.7733 44.4009 0.0000 172.6042 125 D 4.8956 8.3870 114.9175 54.2859 40.1611 176.8271 126 F 4.8526 8.0049 119.3715 56.3928 42.9756 174.1294 127 K 4.2365 8.2698 127.9216 54.2367 33.5283 175.1196 128 I 3.7899 7.9559 128.5247 61.6127 37.4496 176.2215 129 K 4.3677 9.0046 123.7464 56.1777 34.1559 176.1385 *131 V 3.9595 7.7580 119.6104 62.7222 32.2568 174.3600 132 A 4.5847 8.6462 128.4589 50.1233 23.1500 174.9005 133 F 4.9692 8.7087 117.8704 55.7312 41.2275 175.3827 134 E 4.3164 9.1181 123.3457 56.3415 29.5786 176.6835 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 G 8.30 4.53 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 0.00 0.00 0.00 4 L 8.51 4.07 0.00 1.80 1.53 0.90 0.49 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 5 V 8.66 4.74 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 0.92 0.00 0.00 1.01 0.00 0.00 6 A 8.78 5.00 1.23 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 0.00 0.00 7 S 7.91 5.67 0.00 3.98 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 8 N 8.91 4.30 0.00 2.90 2.94 0.00 0.00 6.87 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 9 L 7.27 4.08 0.00 1.68 1.71 1.09 0.99 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 10 N 7.71 4.23 0.00 2.71 2.81 0.00 0.00 7.07 7.78 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 11 L 8.83 4.82 0.00 2.11 1.64 1.21 0.82 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 12 K 8.92 5.17 0.00 1.89 1.70 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.43 7.81 13 P 0.00 3.75 0.00 1.76 1.41 0.00 3.60 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.07 0.00 14 G 8.76 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.73 4.51 0.00 2.24 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 2.35 2.38 0.00 16 C 8.44 4.92 0.00 3.00 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 17 L 8.79 4.71 0.00 1.71 1.54 0.62 0.88 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 18 K 8.76 4.62 0.00 1.76 1.52 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 V 8.84 4.63 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 1.06 0.00 0.00 0.90 0.00 0.00 20 R 8.54 5.11 0.00 1.87 1.66 0.00 3.20 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 21 G 8.73 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 22 E 8.36 5.22 0.00 2.14 1.96 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 2.05 2.17 0.00 23 L 9.24 5.15 0.00 1.71 1.76 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.64 4.39 1.36 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 25 P 0.00 4.26 0.00 2.07 2.14 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 26 D 7.86 4.84 0.00 2.81 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 27 A 8.26 4.29 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.38 4.65 0.00 1.74 1.72 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 29 S 7.72 4.26 0.00 3.60 3.55 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 30 F 7.59 5.20 0.00 3.21 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 31 V 9.52 4.64 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 0.85 0.00 0.00 32 L 8.97 5.32 0.00 1.95 1.66 1.21 0.59 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 33 N 9.45 5.59 0.00 2.76 2.93 0.00 0.00 6.32 6.28 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 34 L 9.90 5.34 0.00 1.55 1.48 0.86 1.03 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 35 G 7.93 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.88 4.19 0.00 1.68 1.84 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 D 7.18 3.92 0.00 2.46 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 38 S 7.82 3.87 0.00 3.90 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 39 N 8.89 4.59 0.00 2.70 2.81 0.00 0.00 6.57 7.00 0.00 0.00 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 N 7.90 5.09 0.00 2.67 2.64 0.00 0.00 6.77 6.22 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 41 L 8.86 5.80 0.00 1.65 1.78 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.99 4.51 0.00 3.06 3.10 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 0.00 0.00 0.00 0.00 43 L 7.85 4.64 0.00 1.81 1.53 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.23 5.19 0.00 3.57 3.47 0.00 5.82 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.18 4.55 0.00 3.05 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 46 N 8.53 5.12 0.00 2.35 2.39 0.00 0.00 6.82 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 47 P 0.00 4.52 0.00 1.87 1.48 0.00 2.64 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 48 R 8.87 4.20 0.00 1.55 1.51 0.00 2.87 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.41 0.00 49 F 7.79 5.68 0.00 3.01 2.94 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 50 N 7.47 4.23 0.00 2.65 2.70 0.00 0.00 6.95 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 *55 A 8.24 3.98 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 56 N 8.08 4.73 0.00 2.93 2.88 0.00 0.00 7.05 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 57 T 7.24 4.63 4.17 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 1.09 0.00 0.00 58 I 7.90 4.49 1.65 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 0.99 0.92 0.71 0.00 0.00 59 V 8.12 3.95 1.85 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 0.85 0.00 0.00 0.84 0.00 0.00 60 C 9.04 5.52 0.00 2.83 1.90 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 61 N 7.91 5.41 0.00 2.76 2.83 0.00 0.00 6.61 7.63 0.00 0.00 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 S 8.87 5.40 0.00 4.16 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 0.00 63 K 9.23 4.77 0.00 0.98 1.31 0.00 1.08 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.58 7.81 64 D 8.79 4.94 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 65 D 9.63 4.26 0.00 2.72 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 66 G 8.44 3.77 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 0.00 0.00 0.00 67 T 8.15 4.31 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 1.15 0.00 0.00 68 W 8.46 4.84 0.00 3.23 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 69 G 8.38 4.51 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 0.00 0.00 0.00 70 T 8.67 4.25 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 71 E 8.86 4.46 0.00 1.94 1.86 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 2.26 2.25 0.00 72 Q 9.15 4.59 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.34 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 73 R 9.32 5.38 0.00 1.63 1.72 0.00 3.56 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 74 E 7.91 5.77 0.00 2.02 1.98 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 1.80 1.55 0.00 *81 P 0.00 4.07 0.00 2.33 2.34 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 82 G 8.96 4.20 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 0.00 0.00 0.00 83 S 7.82 4.71 0.00 3.89 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 84 I 8.50 5.19 1.86 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 1.00 1.65 0.95 0.00 0.00 85 T 8.22 4.57 4.32 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 1.25 0.00 0.00 86 E 8.47 5.14 0.00 1.98 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 0.00 2.19 2.45 0.00 87 V 8.76 4.53 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 0.69 0.00 0.00 1.03 0.00 0.00 *89 I 8.11 4.34 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.35 0.84 0.00 0.00 90 T 8.88 5.30 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 1.32 0.00 0.00 91 F 8.64 5.61 0.00 3.19 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 92 D 8.24 4.23 0.00 2.61 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 93 Q 8.81 4.09 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 94 A 8.20 4.10 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.89 5.12 0.00 2.85 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 96 L 9.11 4.98 0.00 1.80 1.69 1.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 97 T 9.64 4.69 4.20 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 1.15 0.00 0.00 98 I 7.69 4.14 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.66 0.34 0.00 0.00 99 K 8.20 4.63 0.00 1.62 1.59 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.47 7.81 100 L 8.79 4.42 0.00 2.07 1.70 1.25 1.31 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 0.00 101 P 0.00 4.32 0.00 2.20 2.23 0.00 3.85 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 102 D 8.09 4.58 0.00 2.84 2.85 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 0.00 103 G 8.10 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.15 4.40 0.00 3.34 3.64 0.00 5.76 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.10 4.86 0.00 2.00 1.73 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 2.13 2.24 0.00 106 F 7.96 5.16 0.00 3.23 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 0.00 107 K 8.93 5.25 0.00 1.72 1.81 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.43 7.81 108 F 8.96 5.07 0.00 3.25 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 0.00 109 P 0.00 4.40 0.00 1.92 1.89 0.00 2.71 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.63 0.00 110 N 8.67 4.73 0.00 2.87 3.04 0.00 0.00 7.11 7.16 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 0.00 111 R 8.05 3.91 0.00 1.87 2.01 0.00 3.34 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 112 L 7.92 4.00 0.00 1.66 1.76 0.97 1.06 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 0.00 113 N 7.94 4.29 0.00 2.90 2.92 0.00 0.00 7.18 7.67 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 0.00 114 M 8.13 4.48 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 115 E 8.72 4.59 0.00 2.02 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 2.28 2.49 0.00 116 A 7.70 5.04 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 0.00 117 I 8.63 4.43 1.70 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.02 0.86 0.00 0.00 118 N 9.21 5.04 0.00 2.75 2.83 0.00 0.00 5.95 6.79 0.00 0.00 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 Y 7.88 5.30 0.00 3.15 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.59 5.60 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 121 A 8.26 5.02 1.19 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 0.00 0.00 122 A 8.90 5.33 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 0.00 123 D 9.14 4.66 0.00 2.88 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 0.00 124 G 8.89 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 0.00 0.00 0.00 125 D 8.39 4.90 0.00 2.89 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 0.00 126 F 8.00 4.85 0.00 2.57 2.85 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 0.00 127 K 8.27 4.24 0.00 1.76 1.58 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.27 7.81 128 I 7.96 3.79 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.81 0.00 0.00 129 K 9.00 4.37 0.00 1.44 1.68 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.23 7.81 *131 V 7.76 3.96 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 0.39 0.00 0.00 0.86 0.00 0.00 132 A 8.65 4.58 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 0.00 133 F 8.71 4.97 0.00 2.91 3.04 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 0.00 134 E 9.12 4.32 0.00 1.89 1.85 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 2.27 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.