NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.7533 8.2833 118.1300 52.4999 40.0478 174.4855 18 P 4.1322 0.0000 0.0000 65.6068 31.3301 176.8580 19 N 4.4242 8.3659 115.0720 56.2586 38.9621 176.5873 20 E 3.9251 8.2522 120.0200 59.2143 29.6824 178.5732 21 A 3.8219 8.1646 120.7068 55.2355 18.2872 178.7104 22 Y 4.3571 8.0963 116.8746 61.3439 38.9286 178.4890 23 R 3.8956 7.8669 117.3022 59.2570 30.3137 178.3190 24 H 4.2272 8.0219 118.0188 59.3785 29.8735 178.5682 25 Y 4.4684 7.6395 116.5657 58.3046 37.5299 178.4275 *27 K 3.8890 8.0097 120.9554 56.3622 34.5262 177.9750 28 K 3.9921 8.1869 119.4683 59.9127 31.7603 178.7430 29 L 4.0893 7.7514 117.6271 57.4136 41.5474 179.0674 30 S 4.2354 7.7852 112.9015 60.1432 63.5415 174.5961 31 Y 4.6521 7.6870 120.1482 58.7082 38.6538 174.7876 32 E 5.3805 8.0016 115.3339 54.7299 33.3030 174.9793 33 T 4.8866 8.7846 114.0691 60.5442 71.9406 172.0458 34 D 5.3937 8.3928 124.1231 51.4613 42.7270 177.1706 35 I 3.8903 8.6028 118.4019 64.5934 36.9193 178.1444 36 A 3.9326 8.0423 120.9157 55.4556 18.3255 179.0014 37 D 4.3082 8.0595 116.5861 57.5309 41.0091 179.1571 38 L 3.9996 7.9004 120.1313 58.1215 42.2148 178.7511 39 S 4.4450 8.6888 113.5625 61.7039 62.2675 176.2302 40 I 3.7175 7.9861 122.3980 64.4367 36.8444 178.0317 41 D 4.3664 8.0011 119.3705 57.6661 40.8045 179.0031 42 I 3.7916 7.8804 120.1118 64.3951 36.8700 178.4905 43 K 4.0700 7.9328 119.3679 59.1751 32.1613 178.4011 44 K 4.2735 8.2161 116.6777 56.0318 32.6929 176.6431 45 G 3.8479 7.9490 107.0641 46.5320 0.0000 173.9207 46 Y 4.2407 8.0748 120.1484 57.5360 39.3672 175.1273 47 E 4.2290 8.1542 125.4153 56.7697 30.3178 176.8207 48 G 3.6245 5.9960 106.1208 46.7729 0.0000 172.9272 49 I 5.1922 7.4456 112.6779 59.3089 41.5080 175.5007 50 I 4.3173 8.3569 122.5364 60.0758 40.4846 174.6478 51 V 4.1861 8.3796 128.5136 62.5189 32.5846 174.5920 52 V 4.6528 8.8380 128.8453 61.0811 34.2353 173.6987 53 D 3.7222 8.7694 128.2707 52.7792 42.0197 176.7899 54 V 4.0859 7.6699 125.7398 63.5531 32.6779 176.2850 55 R 4.2757 7.7127 118.9630 55.9179 30.7746 176.3698 56 D 4.5636 8.4987 118.1905 54.1160 42.7104 177.3983 57 A 3.9724 8.5857 123.4235 55.6134 18.4353 179.8621 58 E 3.9298 8.2364 116.8600 59.3829 29.6744 178.6891 59 A 4.1743 8.1115 120.3773 55.4842 18.3129 178.8438 60 Y 3.9040 7.8543 117.0398 60.5859 38.9155 177.7635 61 K 4.2160 8.0839 119.8106 59.0930 32.3616 178.4222 62 E 4.1389 8.1036 118.4441 57.6885 29.8041 176.9305 63 C 4.9522 6.9170 111.4158 58.4461 32.5988 172.2977 64 H 4.5940 7.8109 116.2126 54.4019 31.4219 173.0609 65 I 3.5151 8.0835 121.3585 60.1997 37.1688 174.4259 66 P 5.1514 0.0000 0.0000 64.0072 31.5150 176.4277 67 T 3.3693 8.9584 110.3341 62.0103 67.3889 171.3363 68 A 4.7816 7.6996 123.2013 51.6373 19.9287 177.5357 69 I 4.3318 8.6707 114.6602 59.5462 40.7263 174.2824 70 S 4.3453 7.7599 117.7556 56.8246 63.3516 174.3900 71 I 4.4164 8.3302 128.0723 58.8874 39.7107 171.5187 72 P 4.3560 0.0000 0.0000 62.9247 31.7151 175.9374 73 G 3.9490 9.0053 114.1330 49.1668 0.0000 175.7142 74 N 4.8220 7.8996 115.5885 52.4352 37.1351 175.1880 75 K 4.4246 7.9698 116.0464 56.5883 33.6823 175.5818 76 I 3.8907 7.5787 119.0314 60.7234 37.0335 174.5737 77 N 4.7566 7.7985 122.5320 52.1620 39.7993 174.6069 78 E 4.2445 8.5759 115.3472 58.6179 29.8944 178.9439 79 D 4.3283 8.0511 118.0976 56.8995 41.0798 177.1631 80 T 4.3175 7.7568 113.1069 63.9642 68.9584 175.0623 81 T 4.6145 7.4212 110.8082 60.9449 69.2983 176.1246 82 K 4.0854 7.7420 122.8519 60.1342 32.7046 178.2521 83 R 4.2348 7.9147 115.7800 56.6593 30.5491 176.0936 84 L 4.4089 7.3632 119.4414 53.5542 42.7683 176.3771 85 S 4.3353 8.6039 118.2449 58.0032 62.7278 174.4403 86 K 4.1793 8.5877 125.8052 57.3786 31.7911 177.5157 87 E 4.1844 8.0181 119.2146 57.5654 29.8554 176.6007 88 K 4.6735 7.6850 117.6921 54.8807 34.7815 175.9788 89 V 4.4014 8.7965 122.2931 61.7248 33.1131 175.0599 90 I 4.3137 8.4288 129.4601 61.0727 38.6412 175.1961 91 I 5.5824 8.7655 126.9978 58.8510 39.7649 175.0188 92 T 4.9323 8.5299 117.6856 60.5078 71.3381 173.2698 93 Y 4.9233 7.7611 118.4940 56.4142 41.0636 173.8650 94 C 4.9813 8.5598 122.9674 56.2077 47.2726 173.9280 95 W 4.1358 9.2453 114.0126 59.1768 29.6255 176.9603 96 G 4.7210 7.6879 106.1638 44.6746 0.0000 171.2536 97 P 4.1103 0.0000 0.0000 65.3920 31.3214 177.2678 98 A 4.2338 7.9412 118.2995 52.9116 18.8211 177.3438 99 C 4.9098 7.8977 115.8415 55.2632 41.8490 173.5209 100 N 4.6797 8.4529 119.8054 53.5576 39.4407 177.6242 101 G 3.9626 8.0344 107.4026 47.8582 0.0000 175.2733 102 A 4.0229 8.0544 123.4176 54.9268 18.2213 179.7497 103 T 3.8082 7.7574 112.2113 66.7086 69.0092 176.5111 104 K 4.0022 8.5305 120.4367 59.6651 32.1733 178.9378 105 A 3.9383 8.5337 120.7677 55.3637 18.2060 179.3088 106 A 4.1091 8.3995 119.0493 55.4029 18.3082 179.7371 107 A 3.9462 7.9189 118.9535 55.4207 18.4383 180.0408 108 K 3.8515 8.0045 116.4640 59.5094 32.0734 179.5627 109 F 4.1335 8.3736 117.9006 60.5557 39.0302 177.6532 110 A 4.4746 8.4498 121.9906 54.7530 17.9243 179.4498 111 Q 4.0746 8.3327 117.4324 58.5874 29.1210 177.1750 112 L 4.6248 7.5566 118.2167 54.2288 41.7976 177.0667 113 G 3.8370 7.8297 106.1397 46.0395 0.0000 173.8020 114 F 4.5782 8.3201 117.9908 55.9163 41.5502 175.5708 115 R 4.7098 8.5340 122.9791 55.5153 28.5533 175.6877 116 V 4.5223 7.8878 122.1399 60.8652 33.8749 176.3105 117 K 4.7267 8.6413 122.3739 55.5665 35.9540 174.5694 118 E 4.7179 8.9168 125.9521 55.8091 31.7477 175.6667 119 L 4.9347 8.7803 125.2240 53.4996 42.9716 175.4441 120 I 3.7173 8.1384 121.3636 61.9002 37.6933 175.0760 121 G 3.1998 9.8217 116.7025 44.4677 0.0000 175.0076 122 G 4.3293 7.7706 107.3027 45.0264 0.0000 173.3642 123 I 3.6758 8.0501 118.4605 64.5054 36.8812 177.6398 124 E 4.0762 8.6084 120.2536 59.9886 29.6007 178.7704 125 Y 4.4343 8.1247 116.0051 60.7067 37.9383 177.8944 126 W 4.1500 8.4115 129.4251 60.4975 30.5882 178.0240 127 R 4.0744 8.4578 117.0938 59.5710 29.6776 178.7876 128 K 3.9887 7.5122 115.0982 59.3375 32.0016 178.3877 129 E 4.1381 7.4192 116.3480 57.3493 30.2099 176.6970 130 N 4.5773 7.5494 115.1881 51.3591 41.1175 174.1776 131 G 4.1301 8.0204 107.2505 43.9910 0.0000 173.7853 132 L 4.4938 8.3045 122.7730 54.0384 43.0348 176.8485 133 E 4.1565 8.7345 119.3643 56.5937 29.8891 174.8931 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 17 N 8.28 4.75 0.00 2.82 2.85 0.00 0.00 6.96 7.15 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 18 P 0.00 4.13 0.00 2.25 2.17 0.00 3.62 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 2.26 0.00 19 N 8.37 4.42 0.00 2.85 2.92 0.00 0.00 6.70 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 20 E 8.25 3.93 0.00 2.05 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 0.00 2.35 2.38 0.00 21 A 8.16 3.82 1.56 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 0.00 0.00 22 Y 8.10 4.36 0.00 3.06 3.27 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 0.00 23 R 7.87 3.90 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 24 H 8.02 4.23 0.00 3.16 3.09 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.64 4.47 0.00 3.03 2.90 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 *27 K 8.01 3.89 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.52 7.81 28 K 8.19 3.99 0.00 1.82 2.01 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.27 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.56 7.81 29 L 7.75 4.09 0.00 1.62 1.70 0.94 0.96 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 30 S 7.79 4.24 0.00 3.78 3.74 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 31 Y 7.69 4.65 0.00 3.22 2.92 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 32 E 8.00 5.38 0.00 1.98 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 2.52 2.33 0.00 33 T 8.78 4.89 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 1.34 0.00 0.00 34 D 8.39 5.39 0.00 2.80 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 35 I 8.60 3.89 1.90 0.00 0.00 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 1.77 1.02 0.85 0.00 0.00 36 A 8.04 3.93 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 37 D 8.06 4.31 0.00 2.86 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 38 L 7.90 4.00 0.00 1.93 2.02 0.85 0.68 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 39 S 8.69 4.45 0.00 3.88 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 40 I 7.99 3.72 2.00 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 1.80 0.67 0.90 0.00 0.00 41 D 8.00 4.37 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.79 2.03 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 1.44 1.32 0.98 0.00 0.00 43 K 7.93 4.07 0.00 2.00 1.96 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 44 K 8.22 4.27 0.00 1.96 1.91 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.64 1.60 7.81 45 G 7.95 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 0.00 0.00 0.00 46 Y 8.07 4.24 0.00 2.90 2.92 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 47 E 8.15 4.23 0.00 1.77 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 2.19 2.15 0.00 48 G 6.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 5.19 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 1.12 0.00 0.00 50 I 8.36 4.32 1.77 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 1.09 0.48 0.83 0.00 0.00 51 V 8.38 4.19 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 1.14 0.00 0.00 0.90 0.00 0.00 52 V 8.84 4.65 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 0.85 0.00 0.00 0.75 0.00 0.00 53 D 8.77 3.72 0.00 2.67 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 54 V 7.67 4.09 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 0.98 0.00 0.00 0.87 0.00 0.00 55 R 7.71 4.28 0.00 1.65 1.62 0.00 2.71 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 56 D 8.50 4.56 0.00 2.81 2.65 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 57 A 8.59 3.97 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 58 E 8.24 3.93 0.00 2.15 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 2.43 2.69 0.00 59 A 8.11 4.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 3.90 0.00 2.92 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 61 K 8.08 4.22 0.00 2.12 1.89 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 E 8.10 4.14 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 2.39 2.51 0.00 63 C 6.92 4.95 0.00 2.94 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 64 H 7.81 4.59 0.00 3.24 2.96 0.00 5.46 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.08 3.52 1.24 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 -0.52 0.00 0.00 66 P 0.00 5.15 0.00 2.08 2.05 0.00 3.64 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 67 T 8.96 3.37 4.25 0.00 0.00 0.00 0.00 0.00 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 68 A 7.70 4.78 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.67 4.33 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.13 0.88 0.00 0.00 70 S 7.76 4.35 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 71 I 8.33 4.42 1.84 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 1.13 0.80 0.82 0.00 0.00 72 P 0.00 4.36 0.00 1.86 1.97 0.00 3.60 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 73 G 9.01 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.90 4.82 0.00 2.79 2.89 0.00 0.00 5.69 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.97 4.42 0.00 1.62 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.58 3.89 1.55 0.00 0.00 0.62 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 0.76 -0.01 0.00 0.00 77 N 7.80 4.76 0.00 2.61 2.84 0.00 0.00 6.57 7.54 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 78 E 8.58 4.24 0.00 2.06 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 2.45 2.30 0.00 79 D 8.05 4.33 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.32 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 1.14 0.00 0.00 81 T 7.42 4.61 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 1.06 0.00 0.00 82 K 7.74 4.09 0.00 2.04 2.19 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.43 7.81 83 R 7.91 4.23 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 84 L 7.36 4.41 0.00 1.92 1.71 0.83 0.79 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 85 S 8.60 4.34 0.00 3.88 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 86 K 8.59 4.18 0.00 1.59 1.58 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.82 7.81 87 E 8.02 4.18 0.00 1.97 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 2.30 2.40 0.00 88 K 7.68 4.67 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.35 7.81 89 V 8.80 4.40 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 1.04 0.00 0.00 0.99 0.00 0.00 90 I 8.43 4.31 1.47 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.05 -0.13 0.00 0.00 91 I 8.77 5.58 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.14 0.98 0.00 0.00 92 T 8.53 4.93 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 1.16 0.00 0.00 93 Y 7.76 4.92 0.00 2.98 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 94 C 8.56 4.98 0.00 3.07 2.95 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 0.00 0.00 0.00 95 W 9.25 4.14 0.00 3.39 3.28 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 96 G 7.69 4.72 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 0.00 0.00 0.00 97 P 0.00 4.11 0.00 2.07 2.12 0.00 3.70 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 2.04 1.46 0.00 98 A 7.94 4.23 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 99 C 7.90 4.91 0.00 3.09 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.68 0.00 2.80 2.82 0.00 0.00 6.73 7.61 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 0.00 101 G 8.03 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 0.00 102 A 8.05 4.02 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 0.00 103 T 7.76 3.81 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 1.20 0.00 0.00 104 K 8.53 4.00 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.60 7.81 105 A 8.53 3.94 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 0.00 106 A 8.40 4.11 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 0.00 0.00 0.00 0.00 0.00 107 A 7.92 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.00 3.85 0.00 1.69 1.66 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 109 F 8.37 4.13 0.00 3.25 3.03 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 0.00 110 A 8.45 4.47 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.07 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.18 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.56 4.62 0.00 2.18 2.01 0.83 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.83 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 0.00 114 F 8.32 4.58 0.00 3.33 3.03 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 0.00 115 R 8.53 4.71 0.00 1.99 1.88 0.00 3.26 0.00 0.00 3.42 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 116 V 7.89 4.52 2.20 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 0.91 0.00 0.00 0.90 0.00 0.00 117 K 8.64 4.73 0.00 1.86 1.67 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.65 7.81 118 E 8.92 4.72 0.00 2.13 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 2.44 2.31 0.00 119 L 8.78 4.93 0.00 1.84 1.84 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.14 3.72 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 0.96 0.00 0.00 121 G 9.82 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 0.00 0.00 0.00 122 G 7.77 4.33 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 0.00 123 I 8.05 3.68 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 1.04 0.00 0.00 124 E 8.61 4.08 0.00 2.31 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 0.00 2.55 2.53 0.00 125 Y 8.12 4.43 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.41 4.15 0.00 3.44 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 0.00 127 R 8.46 4.07 0.00 2.03 2.06 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.05 0.00 128 K 7.51 3.99 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.70 7.81 129 E 7.42 4.14 0.00 1.54 1.71 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 2.41 2.31 0.00 130 N 7.55 4.58 0.00 1.44 2.08 0.00 0.00 7.02 8.28 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 0.00 131 G 8.02 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.30 4.49 0.00 1.69 1.64 0.99 0.91 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 0.00 133 E 8.73 4.16 0.00 1.89 1.66 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 2.04 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.