NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8167 8.4093 118.1239 52.7014 41.3864 173.6522 3 K 4.5266 7.8003 119.0532 56.0386 33.6642 176.0527 4 N 4.6051 9.0273 111.6134 55.8068 39.8197 178.0279 5 I 3.6265 7.6999 119.5311 64.3140 37.6716 177.2266 6 D 4.4418 8.1873 119.2019 57.9496 40.5489 179.2797 7 T 4.0841 7.8011 115.0315 66.2698 68.9574 177.0613 8 V 3.6689 7.5977 119.6733 66.0732 31.3232 177.5161 9 R 3.6469 8.6035 118.8277 59.7878 29.7815 178.0237 10 E 4.2538 7.9765 116.6137 57.7497 29.8604 178.0724 11 I 4.1344 7.5560 120.1449 62.6278 37.3088 177.9964 12 I 3.8317 7.6218 121.1008 64.4875 36.8227 177.8403 13 T 4.0505 7.6370 110.3748 64.9902 68.5476 175.9788 14 V 3.6432 7.5750 121.9344 65.5985 31.6454 177.7252 15 A 4.4998 8.3928 119.0547 53.9752 18.4197 179.1003 16 S 4.2653 8.0263 112.2808 60.3339 63.1975 176.6155 17 I 3.3517 7.5370 124.1948 64.5150 36.8385 178.2741 18 L 4.0986 7.9359 119.0102 57.6061 41.4355 179.6309 19 I 3.6641 7.6030 119.9520 64.0852 36.8777 177.9341 20 K 3.7284 8.0932 119.6679 59.4739 31.9857 177.8503 21 F 4.7985 7.9404 114.8313 56.6776 40.0268 175.0645 22 S 3.8268 8.1027 112.0652 60.0430 60.7998 171.3099 23 R 4.7752 8.6065 115.1667 54.8134 31.3769 178.1725 24 E 3.9885 8.4495 118.3282 59.7623 29.0259 177.4504 25 D 4.2999 8.2721 119.3031 57.8060 40.5767 179.0853 26 I 3.6387 7.2557 119.0954 64.2907 37.2941 178.4298 27 V 3.6394 7.7721 118.9510 65.4138 31.1588 176.9761 28 E 2.5400 7.1306 116.4429 55.5901 30.0000 175.7210 29 N 4.8818 7.2275 116.7467 51.3626 42.3791 174.8672 30 R 3.9436 8.8988 122.5958 59.4332 29.4237 178.9478 31 A 3.9071 8.0728 121.1359 55.0639 18.5377 179.0602 32 N 4.1521 8.4750 114.5419 56.8494 38.5339 177.1781 33 F 4.3907 8.1423 121.2028 61.2818 39.5279 177.2623 34 I 3.3704 8.1298 119.7243 64.2120 36.8793 178.1496 35 A 3.9026 8.2128 121.5140 55.2216 18.3063 179.0733 36 F 4.1263 8.0819 119.0867 61.6912 39.2905 177.2809 37 L 3.4687 7.9821 118.3972 57.9678 41.0103 179.4129 38 N 4.2748 7.9749 116.1595 56.0240 38.1803 177.0952 39 E 3.7665 7.9544 120.1876 59.1624 29.9343 178.4693 40 I 4.0297 7.3157 110.0870 61.2111 38.1756 176.1338 41 G 3.7774 7.3910 108.6602 45.7240 0.0000 173.6111 42 V 3.7434 7.4806 120.3573 62.0908 31.8065 175.5080 43 T 4.7430 8.1552 117.2304 60.1690 72.3804 174.4921 44 H 4.5291 8.9669 124.9318 57.5972 28.2791 177.0147 45 E 4.1890 9.1606 116.0881 55.7221 29.3879 177.2576 46 G 3.8981 8.0481 104.7452 45.7787 0.0000 172.7239 47 R 4.6463 7.2748 117.9439 53.6157 33.0540 175.4458 48 K 4.2921 8.3243 118.3153 56.4125 32.5844 176.7310 49 L 4.5679 8.4618 123.7986 53.7552 42.8183 176.6207 50 N 4.8593 8.4482 123.6911 52.0650 41.4242 175.9744 51 Q 4.0695 8.5112 123.3208 59.4647 29.2077 178.4134 52 N 4.5194 8.1185 117.6317 56.2520 37.2713 177.1851 53 S 4.2794 8.0989 116.5862 60.1973 63.0628 176.1944 54 F 4.0434 8.7092 124.6005 61.3638 39.2449 177.0754 55 R 3.7622 7.7461 117.1633 59.0969 29.4163 178.5185 56 K 3.9786 7.9100 118.8060 59.6647 32.2131 179.2923 57 I 3.6131 6.9965 113.0911 64.0437 37.6028 178.4598 58 V 3.7436 6.9426 113.1555 63.5616 31.5488 178.5669 59 S 4.3994 8.0038 114.9935 61.1763 62.7744 176.0256 60 E 4.4099 7.3802 114.2573 56.5586 29.1705 176.9047 61 L 4.0600 7.3424 119.7935 55.6104 42.4716 176.9899 62 T 4.4089 8.5023 111.4379 60.5905 70.6167 176.0548 63 Q 4.0447 8.5856 119.8836 58.9899 28.4594 178.4095 64 E 3.8715 8.2516 119.1696 60.0483 29.5626 179.0414 65 D 4.3064 7.7962 118.3399 57.3660 40.8403 179.4667 66 K 3.6932 7.4500 117.6552 59.1879 32.2326 179.1827 67 K 3.7955 8.2840 119.0835 60.1789 31.4665 179.3658 68 T 3.7995 8.1419 115.8801 66.3930 68.1834 176.8411 69 L 3.9002 7.3423 120.5208 57.7211 41.0328 179.3609 70 I 3.5082 7.4632 120.0350 64.5709 36.7618 178.2652 71 D 4.3657 8.1327 118.9380 56.9405 40.7210 177.8984 72 E 4.2761 7.7408 116.3353 56.6153 31.5145 176.5004 73 F 4.8068 8.3205 116.8977 55.8154 38.8582 174.6574 74 N 4.5738 7.5120 120.2250 56.3212 39.3533 177.6656 75 E 4.1470 8.1544 118.7554 59.0946 30.7191 179.7948 76 G 3.7353 8.3455 105.5077 47.7892 0.0000 175.4811 77 F 4.2261 8.9442 124.3099 61.0926 39.2438 176.5264 78 E 4.0470 7.9833 116.2045 59.7399 29.8547 179.0703 79 G 3.6935 7.9236 103.9049 48.1182 0.0000 176.0064 80 V 3.6559 7.6264 115.2562 63.0947 31.6937 177.6963 81 Y 4.1387 8.4164 119.4212 59.4366 38.4662 177.4768 82 R 3.6500 7.7414 119.0836 59.3622 30.1405 178.3658 83 Y 3.0742 7.8029 116.0400 60.8312 37.8711 177.9749 84 L 3.9024 8.1148 119.1814 58.1515 41.9915 178.9952 85 E 3.6827 7.4378 119.3452 58.8377 29.6418 178.3243 86 M 4.0336 7.5224 118.2791 57.9294 30.8146 177.4360 87 Y 4.7114 7.0825 114.0411 58.6033 38.6160 175.2222 88 T 4.6095 7.8993 114.9735 61.5993 67.6513 174.4463 89 N 4.4371 8.0034 122.0509 52.3401 37.8357 176.7832 *90 K 4.1321 8.3294 123.5626 54.6085 32.5024 173.8418 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 2 N 8.41 4.82 0.00 2.87 2.94 0.00 0.00 6.72 6.73 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 3 K 7.80 4.53 0.00 1.82 1.63 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.48 7.81 4 N 9.03 4.61 0.00 2.75 2.87 0.00 0.00 6.49 6.99 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 5 I 7.70 3.63 1.84 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 1.61 1.28 0.91 0.00 0.00 6 D 8.19 4.44 0.00 2.75 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 7 T 7.80 4.08 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 1.34 0.00 0.00 8 V 7.60 3.67 2.23 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 1.13 0.00 0.00 0.99 0.00 0.00 9 R 8.60 3.65 0.00 1.89 2.08 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 10 E 7.98 4.25 0.00 2.28 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 2.59 2.22 0.00 11 I 7.56 4.13 2.10 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 1.05 0.00 0.00 12 I 7.62 3.83 1.96 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 1.68 0.65 0.74 0.00 0.00 13 T 7.64 4.05 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 1.45 0.00 0.00 14 V 7.58 3.64 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 0.99 0.00 0.00 0.94 0.00 0.00 15 A 8.39 4.50 1.78 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 0.00 0.00 16 S 8.03 4.27 0.00 4.09 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 17 I 7.54 3.35 2.06 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 1.82 1.01 0.85 0.00 0.00 18 L 7.94 4.10 0.00 1.98 1.89 1.18 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.60 3.66 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.77 0.00 0.00 20 K 8.09 3.73 0.00 1.51 1.83 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.34 1.22 7.81 21 F 7.94 4.80 0.00 3.08 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 22 S 8.10 3.83 0.00 4.05 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 23 R 8.61 4.78 0.00 1.92 1.83 0.00 3.38 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 24 E 8.45 3.99 0.00 2.35 2.32 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 2.48 2.52 0.00 25 D 8.27 4.30 0.00 2.65 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 26 I 7.26 3.64 1.64 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 1.27 0.34 0.35 0.00 0.00 27 V 7.77 3.64 2.27 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 1.14 0.00 0.00 1.09 0.00 0.00 28 E 7.13 2.54 0.00 1.72 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 1.49 1.77 0.00 29 N 7.23 4.88 0.00 2.72 2.64 0.00 0.00 6.80 7.52 0.00 0.00 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 8.90 3.94 0.00 2.27 2.35 0.00 3.15 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 31 A 8.07 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.47 4.15 0.00 2.78 2.93 0.00 0.00 6.69 8.13 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 33 F 8.14 4.39 0.00 3.31 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 34 I 8.13 3.37 1.94 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 0.74 -0.36 0.88 0.00 0.00 35 A 8.21 3.90 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 36 F 8.08 4.13 0.00 3.06 3.26 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 37 L 7.98 3.47 0.00 1.63 1.50 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.97 4.27 0.00 2.83 2.83 0.00 0.00 6.92 8.10 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 39 E 7.95 3.77 0.00 1.99 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 2.36 0.00 40 I 7.32 4.03 1.74 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.77 0.00 0.00 41 G 7.39 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 0.00 0.00 0.00 42 V 7.48 3.74 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 0.82 0.00 0.00 0.76 0.00 0.00 43 T 8.16 4.74 4.46 0.00 0.00 0.00 0.00 0.00 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 44 H 8.97 4.53 0.00 3.16 3.06 0.00 5.78 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 9.16 4.19 0.00 1.93 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 2.04 1.82 0.00 46 G 8.05 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 47 R 7.27 4.65 0.00 1.87 1.84 0.00 3.13 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 48 K 8.32 4.29 0.00 1.75 1.92 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.37 7.81 49 L 8.46 4.57 0.00 1.64 1.62 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.45 4.86 0.00 2.83 2.75 0.00 0.00 6.76 7.77 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 51 Q 8.51 4.07 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 52 N 8.12 4.52 0.00 2.99 3.10 0.00 0.00 6.25 7.38 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 53 S 8.10 4.28 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 4.04 0.00 3.34 3.38 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 55 R 7.75 3.76 0.00 2.06 1.92 0.00 3.21 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 56 K 7.91 3.98 0.00 1.97 2.04 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.42 7.81 57 I 7.00 3.61 1.71 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 1.44 0.17 0.73 0.00 0.00 58 V 6.94 3.74 2.03 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 0.38 0.00 0.00 0.71 0.00 0.00 59 S 8.00 4.40 0.00 3.95 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 60 E 7.38 4.41 0.00 2.11 2.03 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 2.44 2.27 0.00 61 L 7.34 4.06 0.00 1.63 1.65 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.50 4.41 4.28 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 1.21 0.00 0.00 63 Q 8.59 4.04 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 64 E 8.25 3.87 0.00 2.02 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 2.40 2.48 0.00 65 D 7.80 4.31 0.00 2.59 2.68 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 0.00 66 K 7.45 3.69 0.00 2.00 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.58 7.81 67 K 8.28 3.80 0.00 1.81 1.83 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.62 7.81 68 T 8.14 3.80 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 1.19 0.00 0.00 69 L 7.34 3.90 0.00 0.73 0.66 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.46 3.51 1.86 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 1.66 0.50 0.93 0.00 0.00 71 D 8.13 4.37 0.00 2.66 2.69 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 72 E 7.74 4.28 0.00 2.06 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 2.22 2.41 0.00 73 F 8.32 4.81 0.00 3.21 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 74 N 7.51 4.57 0.00 2.77 2.82 0.00 0.00 7.23 7.80 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 75 E 8.15 4.15 0.00 2.04 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 2.41 2.34 0.00 76 G 8.35 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 0.00 0.00 0.00 77 F 8.94 4.23 0.00 3.01 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 78 E 7.98 4.05 0.00 2.36 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 0.00 2.39 2.48 0.00 79 G 7.92 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 80 V 7.63 3.66 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 0.65 0.00 0.00 1.07 0.00 0.00 81 Y 8.42 4.14 0.00 1.61 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 0.00 0.00 0.00 0.00 82 R 7.74 3.65 0.00 1.92 1.78 0.00 3.28 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 83 Y 7.80 3.07 0.00 3.08 3.07 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 84 L 8.11 3.90 0.00 1.40 1.72 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.44 3.68 0.00 1.16 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 2.08 2.02 0.00 86 M 7.52 4.03 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.41 0.00 87 Y 7.08 4.71 0.00 2.88 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 88 T 7.90 4.61 4.37 0.00 0.00 0.00 0.00 0.00 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 89 N 8.00 4.44 0.00 2.89 2.73 0.00 0.00 7.08 6.91 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 *90 K 8.33 4.13 0.00 1.54 1.63 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.