NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.5067 8.3481 122.9771 52.3405 20.1431 175.5966 4 K 4.3283 8.2657 118.6339 55.7047 36.3277 175.0459 5 G 3.7055 9.1292 109.2488 47.0417 0.0000 174.8084 6 L 4.8696 8.3440 123.3360 54.2807 42.4616 177.0972 7 I 5.0872 8.6731 116.4096 60.7553 40.3992 175.4697 8 R 5.1636 7.7401 121.9877 54.7120 33.9404 173.7950 9 I 5.0589 9.3226 125.6624 59.6234 41.9037 174.3181 10 V 4.9784 9.1280 126.6123 61.0685 34.1618 174.0733 11 L 5.4064 8.9776 128.5361 53.8639 44.1659 174.9740 12 D 5.2655 9.1660 121.8251 52.1069 41.4188 175.3841 13 I 5.1078 8.4780 116.0989 58.9257 41.5074 174.0064 14 L 4.9321 8.4091 125.1534 53.9070 43.9171 175.0292 15 K 4.7306 8.3755 120.8805 54.4710 36.0478 172.8178 16 P 4.4188 0.0000 0.0000 63.3704 31.1167 175.9492 17 H 4.4712 8.9969 117.2617 58.5493 29.0263 175.8463 18 E 4.6741 7.8823 117.1004 54.4415 30.7156 174.2666 19 P 4.5016 0.0000 0.0000 61.8706 32.4465 176.4041 20 I 4.1540 8.5697 121.2053 60.5229 38.7176 176.7772 21 I 4.0085 8.3375 118.1519 63.1978 37.6499 176.3467 22 P 4.4298 0.0000 0.0000 65.7139 31.0652 177.5276 23 E 4.0907 8.4928 119.6272 58.9124 29.1373 178.2552 24 Y 3.9441 8.3187 117.2746 61.5474 38.5422 178.7542 25 A 4.1118 8.3639 121.3103 54.8886 18.4380 179.2052 26 K 3.8072 8.0145 117.6501 60.1685 32.0493 177.9656 27 Y 4.2696 8.1070 118.2528 59.3119 38.8816 176.3232 28 L 3.9064 7.5898 118.3013 55.6786 42.1607 178.5887 29 S 4.2048 7.5583 115.3031 61.3812 62.7512 175.8482 30 E 4.0401 7.2583 120.5368 58.4447 29.4945 177.7447 31 L 3.7802 6.1776 115.8315 54.3875 42.4415 177.1014 32 R 3.8706 7.6422 118.2878 57.5253 29.9524 176.4804 33 G 3.6943 8.8572 114.2194 46.3945 0.0000 172.4369 34 V 4.3814 7.5434 120.0960 60.6810 31.1679 174.8893 35 E 4.1204 8.9011 127.6240 59.0981 29.9321 177.3883 36 G 4.2037 7.9124 104.1281 45.6873 0.0000 172.6033 37 V 5.0863 8.3576 118.7480 59.6976 34.7928 174.2906 38 N 4.9562 9.4792 121.7631 51.9206 41.6685 172.9884 39 I 5.5257 8.7743 126.6991 59.0667 39.2818 174.7681 40 T 4.5352 8.2323 117.6313 60.0300 71.1509 174.3359 41 L 4.3855 8.2463 125.5952 54.5785 43.7934 175.2171 *43 E 4.0846 8.4389 121.5859 55.9641 31.0816 174.0279 44 I 4.5084 8.4238 126.5130 59.4598 39.5279 174.1211 45 D 5.0892 8.0569 129.9717 52.7915 43.4473 175.7114 46 K 4.2307 8.6349 117.7892 60.2947 33.1885 177.5628 47 E 4.0842 8.1672 118.0320 58.8722 30.0611 177.2349 48 T 4.4712 7.0814 113.8830 63.0011 71.4693 171.0141 49 E 5.0163 7.6687 117.1631 56.0050 34.1736 176.0503 50 N 5.0551 9.6839 128.5161 52.0433 40.2342 173.9806 51 I 4.6924 8.3054 119.4780 58.9554 41.2815 174.1352 52 K 4.8625 9.1847 125.2345 54.8550 34.5656 175.1153 53 V 4.5462 8.6499 126.7684 61.6243 34.2156 174.2928 54 T 4.9252 9.2799 126.4019 62.0308 70.3717 173.5273 55 I 4.8383 9.0979 127.4299 59.0823 41.5866 173.9656 56 Q 4.8362 8.7468 128.7464 54.3174 32.4709 173.9530 57 G 4.2582 8.7400 112.8690 46.9429 0.0000 171.0993 58 N 5.1492 8.8580 121.4840 52.5052 42.0120 175.5747 59 D 4.4068 8.3296 124.5386 54.9178 40.2208 173.9683 60 L 4.0306 7.6359 119.8151 55.0958 42.7335 177.8417 61 D 4.8032 8.3343 120.1714 52.5564 42.5144 176.5707 62 F 4.3697 8.8074 130.1718 61.6453 39.4616 176.5155 63 D 4.2320 8.5943 118.5012 56.9519 40.5871 178.4512 64 E 3.8728 8.2880 118.6531 59.5156 29.5867 178.9302 65 I 3.5691 7.7106 119.6907 64.9910 37.3204 178.3624 66 T 3.7956 7.6432 113.3326 64.9222 67.1322 176.7110 67 R 3.9034 8.3669 120.3058 59.0833 30.1200 178.8365 68 A 4.6908 8.2953 122.3603 54.9123 18.4957 179.8106 69 I 3.8739 7.8728 118.3118 64.5600 37.0617 178.5879 70 E 4.2479 8.2594 119.4423 59.4168 29.2515 179.3227 71 S 4.1904 8.3239 115.3470 61.9006 62.7134 175.6535 72 Y 3.9311 7.7500 115.6249 58.2390 37.5515 176.5966 73 G 3.9746 8.4964 110.7055 45.0283 0.0000 174.1513 74 G 4.0990 7.6469 106.0285 46.2728 0.0000 173.0743 75 S 4.6073 8.8805 113.9364 56.7102 65.8013 173.0819 76 I 4.2438 8.4514 128.6746 61.3284 36.5636 175.7005 77 H 4.5543 9.0007 125.8078 58.5071 29.0253 176.2141 78 S 4.6367 7.8887 110.5485 57.2015 66.8089 173.6844 79 V 4.4136 8.3379 121.5358 62.2766 30.8664 175.1036 80 D 4.6619 9.4325 129.8628 56.4975 41.7343 176.7882 81 E 4.7540 7.7341 116.7639 55.1508 32.9353 174.2099 82 V 4.9184 8.2771 124.3081 61.2144 35.3879 174.5620 83 V 4.5709 8.7329 124.8062 61.2098 34.7727 173.9864 84 A 5.0344 8.9488 128.0076 51.3962 22.1391 174.6861 85 G 3.8303 8.5105 105.5031 44.7183 0.0000 174.4369 86 R 4.5752 8.4989 117.5355 56.8143 32.3820 175.8605 87 T 4.5227 7.4257 110.0734 61.9443 67.8771 176.3408 *89 V 3.7733 8.8496 116.2358 62.5955 32.2413 173.8559 90 E 4.3528 8.4864 126.4025 54.9631 30.6717 175.6414 91 E 4.0391 8.4479 121.7101 56.1276 29.9714 176.5511 92 V 3.9750 8.3050 120.5994 60.8312 32.5203 175.6965 93 T 4.4241 8.2533 115.0325 60.8659 70.1728 173.6063 94 T 4.6033 7.8241 116.8506 60.2131 70.7802 171.6706 95 P 4.4379 0.0000 0.0000 62.7333 31.4242 176.6581 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 A 8.35 4.51 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 4 K 8.27 4.33 0.00 2.02 1.87 0.00 1.52 0.00 0.00 2.04 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.56 7.81 5 G 9.13 3.71 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 0.00 0.00 0.00 6 L 8.34 4.87 0.00 1.62 1.58 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.67 5.09 1.87 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 1.27 1.33 0.98 0.00 0.00 8 R 7.74 5.16 0.00 1.85 1.73 0.00 3.12 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 9 I 9.32 5.06 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 1.01 0.00 0.00 10 V 9.13 4.98 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 1.01 0.00 0.00 0.93 0.00 0.00 11 L 8.98 5.41 0.00 1.86 1.84 1.01 0.82 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 12 D 9.17 5.27 0.00 2.71 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 13 I 8.48 5.11 2.01 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 1.04 0.61 0.93 0.00 0.00 14 L 8.41 4.93 0.00 1.96 1.56 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.38 4.73 0.00 1.82 1.43 0.00 0.80 0.00 0.00 1.36 0.00 0.00 2.94 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.21 1.34 7.81 16 P 0.00 4.42 0.00 2.47 2.12 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 17 H 9.00 4.47 0.00 3.22 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.88 4.67 0.00 1.96 1.88 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 2.28 2.41 0.00 19 P 0.00 4.50 0.00 2.28 1.99 0.00 4.13 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 1.72 1.86 0.00 20 I 8.57 4.15 1.93 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 1.15 1.81 0.98 0.00 0.00 21 I 8.34 4.01 1.85 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 1.72 0.61 0.95 0.00 0.00 22 P 0.00 4.43 0.00 2.33 2.39 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 23 E 8.49 4.09 0.00 2.41 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 0.00 2.58 2.60 0.00 24 Y 8.32 3.94 0.00 3.08 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 25 A 8.36 4.11 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 26 K 8.01 3.81 0.00 2.23 1.96 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 27 Y 8.11 4.27 0.00 2.82 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 28 L 7.59 3.91 0.00 1.67 1.54 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.56 4.20 0.00 3.87 3.91 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 0.00 0.00 0.00 30 E 7.26 4.04 0.00 1.84 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 2.43 2.58 0.00 31 L 6.18 3.78 0.00 1.77 1.53 0.77 0.36 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 32 R 7.64 3.87 0.00 1.74 2.07 0.00 3.31 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 33 G 8.86 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 0.00 0.00 0.00 34 V 7.54 4.38 2.13 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 0.91 0.00 0.00 0.92 0.00 0.00 35 E 8.90 4.12 0.00 2.05 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 2.31 2.33 0.00 36 G 7.91 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 37 V 8.36 5.09 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 0.76 0.00 0.00 0.98 0.00 0.00 38 N 9.48 4.96 0.00 2.71 2.67 0.00 0.00 6.92 8.23 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 39 I 8.77 5.53 1.88 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 1.04 0.52 0.87 0.00 0.00 40 T 8.23 4.54 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 1.25 0.00 0.00 41 L 8.25 4.39 0.00 1.67 1.60 0.92 0.91 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 *43 E 8.44 4.08 0.00 2.11 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 2.27 2.31 0.00 44 I 8.42 4.51 1.88 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 1.46 1.10 0.92 0.00 0.00 45 D 8.06 5.09 0.00 2.62 2.61 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 0.00 0.00 0.00 0.00 46 K 8.63 4.23 0.00 1.88 1.94 0.00 1.61 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 1.38 1.47 7.81 47 E 8.17 4.08 0.00 1.99 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 2.34 2.28 0.00 48 T 7.08 4.47 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 49 E 7.67 5.02 0.00 2.06 1.84 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 1.96 2.02 0.00 50 N 9.68 5.06 0.00 2.69 2.68 0.00 0.00 7.07 5.93 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 51 I 8.31 4.69 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.70 0.79 0.00 0.00 52 K 9.18 4.86 0.00 1.80 1.68 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.36 7.81 53 V 8.65 4.55 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 1.03 0.00 0.00 0.91 0.00 0.00 54 T 9.28 4.93 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 55 I 9.10 4.84 1.88 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 1.12 1.63 1.02 0.00 0.00 56 Q 8.75 4.84 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 57 G 8.74 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 0.00 0.00 0.00 0.00 58 N 8.86 5.15 0.00 2.72 2.62 0.00 0.00 7.48 8.59 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 59 D 8.33 4.41 0.00 2.80 2.76 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 0.00 0.00 0.00 0.00 60 L 7.64 4.03 0.00 1.73 1.63 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.33 4.80 0.00 2.69 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 62 F 8.81 4.37 0.00 3.11 3.12 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 63 D 8.59 4.23 0.00 2.92 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 64 E 8.29 3.87 0.00 2.12 1.94 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 2.38 2.49 0.00 65 I 7.71 3.57 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.87 0.00 0.00 66 T 7.64 3.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 67 R 8.37 3.90 0.00 1.88 1.96 0.00 3.17 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 68 A 8.30 4.69 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 69 I 7.87 3.87 1.92 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 1.57 1.14 1.14 0.00 0.00 70 E 8.26 4.25 0.00 2.18 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 2.34 2.36 0.00 71 S 8.32 4.19 0.00 3.99 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 72 Y 7.75 3.93 0.00 2.76 2.44 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 73 G 8.50 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 0.00 0.00 0.00 74 G 7.65 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 75 S 8.88 4.61 0.00 3.84 3.59 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 76 I 8.45 4.24 1.87 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 1.34 0.54 0.97 0.00 0.00 77 H 9.00 4.55 0.00 3.37 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.89 4.64 0.00 3.99 3.94 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 79 V 8.34 4.41 2.10 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 0.75 0.00 0.00 1.12 0.00 0.00 80 D 9.43 4.66 0.00 2.57 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 81 E 7.73 4.75 0.00 2.00 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 0.00 2.25 2.27 0.00 82 V 8.28 4.92 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 0.74 0.00 0.00 0.80 0.00 0.00 83 V 8.73 4.57 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 0.89 0.00 0.00 0.92 0.00 0.00 84 A 8.95 5.03 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 85 G 8.51 3.83 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 0.00 0.00 0.00 86 R 8.50 4.58 0.00 1.81 1.98 0.00 3.22 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 87 T 7.43 4.52 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 1.20 0.00 0.00 *89 V 8.85 3.77 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 0.85 0.00 0.00 0.99 0.00 0.00 90 E 8.49 4.35 0.00 1.99 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 2.28 2.23 0.00 91 E 8.45 4.04 0.00 1.92 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 2.28 2.32 0.00 92 V 8.30 3.97 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 0.78 0.00 0.00 0.93 0.00 0.00 93 T 8.25 4.42 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 94 T 7.82 4.60 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 1.23 0.00 0.00 95 P 0.00 4.44 0.00 2.08 1.94 0.00 3.76 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 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.