NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6990 8.2714 118.2105 52.4718 38.8005 174.8032 12 G 3.5652 8.3256 104.5136 46.1631 0.0000 170.8688 13 V 3.6427 8.1090 120.8160 65.9905 32.0065 175.5560 14 H 4.1331 8.9294 118.4912 59.4616 29.6284 176.7318 15 D 4.2532 7.7710 119.4065 57.3754 40.8229 178.3049 16 F 3.9807 8.3530 121.0193 61.7242 39.3294 177.6265 17 I 3.8249 7.9901 118.8770 64.3976 36.9693 178.3919 18 L 3.9579 7.9546 119.8666 57.8975 41.3359 179.7184 19 V 3.5281 8.0091 118.2885 65.9023 31.2895 178.0733 20 R 3.9942 7.4058 116.3700 58.2550 30.2050 178.4297 21 A 3.9715 8.3955 121.3128 55.6081 18.4482 179.7787 22 T 3.8594 8.1663 107.8924 65.0153 68.6277 176.3635 23 A 4.1039 7.8210 123.6529 54.7606 18.3520 179.7778 24 I 3.6541 7.8024 118.4534 64.4986 37.2264 178.4870 25 V 3.6996 7.7265 119.0275 66.4061 31.2844 178.0876 26 L 4.1172 8.5033 118.7682 58.1436 41.4132 179.6889 27 T 3.9297 8.3227 115.9901 66.4279 68.2511 176.7005 28 L 4.0945 8.0926 120.9466 58.1643 41.7277 178.7202 29 Y 3.2275 8.2502 119.4287 60.7578 38.4502 178.4721 30 I 3.6741 8.1654 120.7763 64.2678 37.1217 178.4104 31 I 3.7327 7.9074 120.8341 64.3282 36.8712 177.8773 32 Y 4.1624 8.2467 120.5196 61.1541 38.7634 177.9681 33 M 3.8532 7.9174 119.7173 58.1080 31.9973 178.9794 34 V 3.7450 8.2862 118.8492 66.3014 31.5459 177.9163 35 G 3.9009 7.9546 103.8588 48.3942 0.0000 174.6259 36 F 3.7597 8.0519 123.1390 60.9552 39.0271 177.2463 37 F 3.8099 8.2562 117.0624 60.1121 38.9104 176.7408 38 A 4.5140 7.8015 117.7792 51.8522 20.2610 177.5317 39 T 4.6081 7.4867 107.4862 59.5033 68.8194 173.6871 40 S 4.4310 7.7492 112.4452 57.9935 69.5598 177.6883 41 G 3.4739 7.6153 110.2556 47.3618 0.0000 174.4669 42 E 3.7020 8.0932 124.7759 56.0389 28.5593 177.9065 43 L 4.4732 8.0976 128.1533 53.2699 40.5898 176.6855 44 T 4.2164 7.5570 112.1430 61.0748 70.2736 175.9191 45 Y 4.3057 8.7020 122.8904 60.7339 38.6627 178.1549 46 E 3.8422 8.2187 119.9723 59.2629 30.0668 178.8989 47 V 3.7543 7.7605 112.0308 64.0318 31.6290 178.1374 48 W 4.4112 8.3519 128.2523 60.7851 30.5964 177.8724 49 I 3.6579 8.0808 118.5929 63.8134 37.0859 178.2574 50 G 3.5689 7.9519 106.1626 47.5143 0.0000 175.1330 51 F 4.1962 7.9893 122.9877 61.1600 39.1868 177.0164 52 F 3.7845 7.4162 113.8110 58.7953 38.7415 176.7856 53 A 4.1725 7.3705 119.8369 52.8154 18.9851 177.8826 54 S 3.9938 7.3302 112.7192 58.2724 63.2986 174.4916 55 A 3.9357 8.9556 129.6853 55.4598 18.0046 179.3177 56 F 3.8350 7.8449 118.0890 61.9205 39.4504 177.5684 57 T 3.8279 7.8063 114.6336 66.3127 68.1977 176.5335 58 K 3.8103 8.0625 120.6302 59.5306 32.0626 179.2586 59 V 3.4120 7.5847 117.9984 66.0860 31.4055 177.5607 60 F 4.0682 7.8538 120.1634 61.8195 39.0847 177.3476 61 T 3.4534 8.0910 115.0578 66.4527 68.2800 176.7521 62 L 3.7825 7.8315 120.8848 57.5314 41.5150 179.0603 63 L 3.9886 8.2023 120.4585 58.4137 41.9239 178.9771 64 A 3.8548 7.9473 120.4676 55.0482 18.1107 179.6132 65 L 3.9230 7.7819 117.4401 57.9286 41.6741 179.7063 66 F 4.1060 8.3664 117.7231 60.7624 38.8501 177.8870 67 S 4.2535 8.5362 114.9874 61.7561 62.6064 176.9023 68 I 3.8673 8.3367 123.0001 63.9939 36.8208 177.9819 69 L 4.0035 8.0889 121.3903 58.4575 41.8990 179.3322 70 I 3.8788 7.9020 119.3726 64.7692 37.1724 178.0122 71 H 4.1513 8.8119 119.3276 59.2584 29.6678 177.0773 72 A 4.2217 8.7745 122.8738 54.2397 18.3701 179.4407 73 W 4.5516 8.1892 126.8273 60.9274 30.8495 178.0569 74 I 3.3591 7.7645 119.8315 64.2059 36.5422 178.6195 75 G 3.5422 8.0608 106.1935 48.2842 0.0000 175.7203 76 M 4.1328 8.4043 122.2566 57.4872 31.9350 178.6605 77 W 3.7904 7.8456 128.6168 60.2930 30.4865 178.0188 78 Q 3.6822 7.7829 116.9595 58.8086 28.5018 178.6726 79 V 3.4517 7.4989 118.9799 65.9992 31.6225 177.8534 80 L 3.9536 8.0300 119.2527 57.9869 41.3233 179.0961 81 T 3.8686 7.0776 106.1084 62.7164 68.8252 175.5657 82 D 4.2894 7.3692 121.8950 56.4140 41.4931 176.7878 83 Y 4.6820 7.4204 113.6746 57.9463 39.2395 175.8068 84 V 4.2444 7.9468 119.7407 60.8582 31.3916 175.1968 85 K 4.0774 8.5054 125.6714 58.3955 32.7456 177.2481 86 P 4.2701 0.0000 0.0000 62.3184 32.0943 176.4605 87 L 3.9138 8.6927 124.5429 58.2868 42.1088 178.7878 88 A 3.9746 7.9527 119.8800 55.2680 18.4307 179.0979 89 L 3.9307 7.9447 118.2835 58.2200 42.0001 179.1369 90 R 3.8736 7.8772 118.3829 59.3962 30.0424 178.2251 91 L 4.0542 8.1630 119.0776 58.2619 41.6029 179.4141 92 M 4.0563 8.0998 118.3000 58.6444 31.9009 178.9285 93 L 4.0521 8.0261 118.8857 57.7759 41.6848 179.7095 94 Q 4.2531 8.5251 118.4654 58.7536 28.6398 178.1669 95 L 3.8216 8.1960 121.6832 58.2333 42.0565 178.9728 96 V 3.5306 7.8853 117.9087 66.3405 31.4669 177.7924 97 I 3.6862 7.9640 119.3766 64.4991 36.9672 178.7002 98 V 3.2834 8.0685 119.1881 65.8341 31.3221 178.0710 99 V 3.4416 7.7777 117.9311 65.9333 31.2938 177.5944 100 A 3.7455 8.1031 120.6019 55.3156 18.1986 179.4604 101 L 3.6191 7.6140 117.2106 57.8717 41.5897 180.1830 102 V 3.5030 7.6559 118.0156 65.7184 31.4729 177.9478 103 V 3.6002 8.2414 118.4665 66.4955 31.1958 177.1434 104 Y 4.5609 8.3109 116.5542 61.5996 37.7899 179.1255 105 V 3.5304 7.7070 118.0819 66.1427 31.7107 178.2222 106 I 3.8182 8.0171 119.4283 64.6784 36.9774 177.6480 107 Y 4.3746 8.9292 120.9406 60.7872 38.5656 178.5649 108 G 3.4725 8.4727 106.7045 47.8461 0.0000 175.6075 109 F 3.9401 8.1752 120.4148 60.1704 38.6501 177.9142 110 V 3.6976 7.4117 116.6419 65.6288 31.5117 177.8833 111 V 3.5102 7.4130 117.2237 65.7088 31.5377 177.7530 112 V 3.9810 7.7048 113.7901 63.8603 31.8241 178.8507 *113 W 4.3958 7.9494 121.0634 59.9875 28.0703 179.1356 114 G 4.3343 7.3510 102.1012 45.5227 0.0000 173.9751 115 V 3.9860 7.7116 126.0149 62.5491 31.8454 175.0586 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 11 N 8.27 4.70 0.00 2.96 3.02 0.00 0.00 6.03 6.38 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 12 G 8.33 3.57 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 0.00 0.00 0.00 13 V 8.11 3.64 2.24 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 1.04 0.00 0.00 0.89 0.00 0.00 14 H 8.93 4.13 0.00 3.34 3.43 0.00 5.67 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 15 D 7.77 4.25 0.00 2.93 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 16 F 8.35 3.98 0.00 3.27 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 17 I 7.99 3.82 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.70 0.94 0.00 0.00 18 L 7.95 3.96 0.00 1.62 1.69 0.79 0.64 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 19 V 8.01 3.53 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 0.87 0.00 0.00 0.77 0.00 0.00 20 R 7.41 3.99 0.00 1.96 1.83 0.00 2.22 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 21 A 8.40 3.97 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 22 T 8.17 3.86 4.43 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 1.30 0.00 0.00 23 A 7.82 4.10 1.45 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 0.00 0.00 24 I 7.80 3.65 2.08 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 0.98 0.95 0.00 0.00 25 V 7.73 3.70 2.28 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 1.15 0.00 0.00 1.00 0.00 0.00 26 L 8.50 4.12 0.00 1.69 1.76 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.32 3.93 4.44 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 1.26 0.00 0.00 28 L 8.09 4.09 0.00 2.21 2.08 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.25 3.23 0.00 2.69 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 30 I 8.17 3.67 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.93 0.00 0.00 31 I 7.91 3.73 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.99 0.00 0.00 32 Y 8.25 4.16 0.00 3.12 2.86 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 0.00 0.00 0.00 33 M 7.92 3.85 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 34 V 8.29 3.75 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 1.02 0.00 0.00 0.97 0.00 0.00 35 G 7.95 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 36 F 8.05 3.76 0.00 2.25 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 37 F 8.26 3.81 0.00 3.30 3.02 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 38 A 7.80 4.51 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 39 T 7.49 4.61 4.14 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 0.00 0.00 0.00 1.18 0.00 0.00 40 S 7.75 4.43 0.00 3.61 3.35 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 41 G 7.62 3.47 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 0.00 42 E 8.09 3.70 0.00 1.97 1.91 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 2.30 2.33 0.00 43 L 8.10 4.47 0.00 1.61 1.60 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.56 4.22 4.34 0.00 0.00 0.00 0.00 0.00 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 45 Y 8.70 4.31 0.00 3.13 3.09 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 0.00 0.00 0.00 46 E 8.22 3.84 0.00 2.18 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 2.40 2.43 0.00 47 V 7.76 3.75 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 0.88 0.00 0.00 1.12 0.00 0.00 48 W 8.35 4.41 0.00 3.54 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 49 I 8.08 3.66 1.36 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 1.35 1.07 0.77 0.00 0.00 50 G 7.95 3.57 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 0.00 0.00 0.00 51 F 7.99 4.20 0.00 2.61 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 52 F 7.42 3.78 0.00 2.68 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 53 A 7.37 4.17 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 54 S 7.33 3.99 0.00 3.84 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 55 A 8.96 3.94 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 56 F 7.84 3.83 0.00 3.15 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 57 T 7.81 3.83 3.89 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 0.00 0.00 0.00 0.17 0.00 0.00 58 K 8.06 3.81 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.53 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 59 V 7.58 3.41 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.85 0.00 0.00 60 F 7.85 4.07 0.00 2.69 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 61 T 8.09 3.45 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 1.26 0.00 0.00 62 L 7.83 3.78 0.00 1.62 1.52 0.34 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.20 3.99 0.00 1.78 1.95 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.95 3.85 0.54 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 0.00 0.00 65 L 7.78 3.92 0.00 1.75 1.63 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.37 4.11 0.00 3.25 3.08 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 0.00 0.00 0.00 0.00 67 S 8.54 4.25 0.00 4.05 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 68 I 8.34 3.87 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 1.07 0.00 0.00 69 L 8.09 4.00 0.00 1.76 2.01 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.90 3.88 1.98 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 1.53 0.75 0.98 0.00 0.00 71 H 8.81 4.15 0.00 3.28 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.77 4.22 1.53 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 73 W 8.19 4.55 0.00 3.47 3.35 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 74 I 7.76 3.36 1.90 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 1.26 0.43 0.82 0.00 0.00 75 G 8.06 3.54 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 0.00 0.00 0.00 76 M 8.40 4.13 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.92 0.00 77 W 7.85 3.79 0.00 2.10 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 78 Q 7.78 3.68 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 79 V 7.50 3.45 2.18 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 1.13 0.00 0.00 0.98 0.00 0.00 80 L 8.03 3.95 0.00 1.48 1.61 1.02 0.57 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 81 T 7.08 3.87 3.70 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 0.11 0.00 0.00 82 D 7.37 4.29 0.00 1.98 1.79 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 83 Y 7.42 4.68 0.00 2.93 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 84 V 7.95 4.24 2.18 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 0.81 0.00 0.00 0.97 0.00 0.00 85 K 8.51 4.08 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.40 7.81 86 P 0.00 4.27 0.00 2.16 2.00 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 87 L 8.69 3.91 0.00 1.76 1.69 0.96 1.13 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 88 A 7.95 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.94 3.93 0.00 1.78 1.70 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.88 3.87 0.00 2.08 2.02 0.00 3.15 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 91 L 8.16 4.05 0.00 1.75 1.76 0.96 1.37 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 92 M 8.10 4.06 0.00 2.09 2.27 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 2.78 2.60 0.00 93 L 8.03 4.05 0.00 1.91 1.78 0.95 1.13 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 94 Q 8.53 4.25 0.00 2.44 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 3.13 2.64 0.00 95 L 8.20 3.82 0.00 1.81 1.88 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.89 3.53 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 1.04 0.00 0.00 0.96 0.00 0.00 97 I 7.96 3.69 2.24 0.00 0.00 1.00 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 0.64 1.12 0.00 0.00 98 V 8.07 3.28 1.79 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 0.62 0.00 0.00 -0.27 0.00 0.00 99 V 7.78 3.44 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 0.89 0.00 0.00 0.92 0.00 0.00 100 A 8.10 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.61 3.62 0.00 1.77 1.70 1.14 0.82 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 0.00 102 V 7.66 3.50 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 0.94 0.00 0.00 0.85 0.00 0.00 103 V 8.24 3.60 2.24 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 1.05 0.00 0.00 0.94 0.00 0.00 104 Y 8.31 4.56 0.00 3.23 2.99 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 0.00 105 V 7.71 3.53 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 0.61 0.00 0.00 0.73 0.00 0.00 106 I 8.02 3.82 1.94 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 1.38 1.16 0.94 0.00 0.00 107 Y 8.93 4.37 0.00 3.09 3.13 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 0.00 108 G 8.47 3.47 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 0.00 109 F 8.18 3.94 0.00 3.36 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 0.00 110 V 7.41 3.70 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 0.78 0.00 0.00 0.98 0.00 0.00 111 V 7.41 3.51 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 0.67 0.00 0.00 0.19 0.00 0.00 112 V 7.70 3.98 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 0.85 0.00 0.00 0.87 0.00 0.00 *113 W 7.95 4.40 0.00 2.62 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 0.00 0.00 0.00 114 G 7.35 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 0.00 115 V 7.71 3.99 2.19 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 0.79 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.