NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6681 8.4444 117.3691 54.3054 29.7215 171.1924 7 R 4.3136 7.9194 115.9681 57.4012 32.3253 175.1643 8 L 3.5700 8.8579 125.1974 51.8982 39.2355 175.6081 9 S 3.7510 8.8931 118.2711 59.3993 62.9798 174.1954 10 A 3.3134 8.7538 124.2208 55.6682 18.8543 179.2868 11 E 3.6709 8.7461 112.5127 58.4148 30.5507 184.7776 12 E 3.3523 6.8586 110.2837 55.8340 32.1236 181.5098 13 R 3.4602 8.6385 112.3353 59.4002 30.2295 177.6926 14 D 4.2891 6.5629 121.1019 55.8160 42.5033 176.8392 15 Q 4.4377 9.1984 118.3719 58.0523 30.6549 177.0731 16 L 4.0702 7.8949 119.7047 57.8695 41.0563 179.3259 17 L 3.9134 7.9207 118.3180 57.6384 41.2704 177.8450 18 P 4.2795 0.0000 0.0000 65.5991 31.2116 178.1439 19 N 3.9855 7.6316 113.5825 55.9995 37.1714 176.6978 20 L 4.2985 7.7086 120.6835 57.4889 41.9627 178.9470 21 R 3.9748 9.3168 118.0408 59.3186 29.8493 178.9624 22 A 4.1282 9.0069 120.2155 54.1753 18.3699 178.9070 23 V 4.1710 7.3913 115.6290 61.2914 32.0496 176.1541 24 G 3.7651 7.7074 107.7156 45.6415 0.0000 174.8165 25 W 4.3952 7.9482 118.6654 56.5862 30.4034 175.4850 26 N 4.1715 8.2185 114.9563 52.6665 41.4656 173.4331 27 E 5.2736 8.8852 126.8234 56.0140 29.9931 177.4126 28 L 4.7051 8.9235 124.4674 54.9688 42.6461 177.3161 29 E 4.1691 9.0713 121.6870 59.6433 29.5600 178.9308 30 G 4.0505 7.8456 105.5575 44.7338 0.0000 173.1911 31 R 4.2317 7.2681 115.3671 56.4962 32.0749 173.3764 32 D 4.7111 7.8285 116.1489 53.3822 40.0784 173.2323 33 A 5.3390 7.4319 122.6034 50.4154 24.2022 175.8373 34 I 5.2141 8.3791 109.7601 59.3432 41.1238 174.8537 35 F 6.2160 7.7067 118.8813 54.8819 41.4781 173.9485 36 K 3.9723 8.2848 118.8222 54.2724 35.1568 175.2290 37 Q 4.8804 7.2150 126.2838 53.5527 28.0069 175.3880 38 F 3.6985 7.9905 118.2948 58.5707 40.6764 175.9268 39 H 5.1831 8.2504 118.9749 54.0720 30.8902 173.1531 40 F 4.9173 9.4444 121.5580 55.1169 42.3204 175.4056 41 K 4.0082 8.2156 118.5359 59.4610 32.2191 176.4442 42 D 4.3502 7.5031 115.9719 50.5726 43.5926 175.5103 43 F 4.2830 7.4743 121.4612 61.0614 39.3850 176.0040 44 N 3.6624 8.2676 116.0081 56.8526 38.3944 176.1770 45 R 3.9929 8.2510 119.0871 58.1610 30.2558 178.3847 46 A 2.9080 7.2588 120.4173 54.7826 18.5385 179.4624 47 F 3.8791 8.4309 120.0377 60.6324 39.0208 177.6623 48 G 3.4349 7.3726 104.4967 47.5216 0.0000 175.4928 49 F 4.0367 7.4168 122.9476 61.1716 39.3590 176.8618 50 M 3.5825 7.5210 118.2011 58.7616 31.6091 178.8385 51 T 3.6500 7.0716 115.3913 66.7487 68.0209 176.8770 52 R 3.9405 7.3873 119.4840 59.1865 30.0665 179.3260 53 V 3.6603 7.3609 118.0609 65.7789 31.1015 177.9012 54 A 4.2373 8.4024 120.6183 54.2565 18.1618 179.4865 55 L 3.8508 7.4660 117.6055 57.5618 41.9475 179.2714 56 Q 3.6300 7.4517 116.6877 58.8245 28.4861 178.3727 57 A 3.5722 8.1574 122.1037 55.6621 17.9820 179.2912 58 E 3.9166 7.5198 115.8251 58.8892 29.6625 178.7019 59 K 3.9275 7.7430 119.5566 60.0857 32.3753 178.5581 60 L 3.9678 8.3489 118.2687 55.3260 41.8843 176.5096 61 D 4.2146 8.2926 116.5533 54.9596 39.5786 174.2504 62 H 4.5173 7.6348 117.8519 54.8551 30.9057 171.6511 63 H 4.4253 7.9177 123.1819 54.2741 29.6758 173.9746 64 P 4.1980 0.0000 0.0000 62.3152 32.3504 175.9807 65 E 4.5605 8.6011 124.5597 55.0888 30.0850 174.8956 66 W 6.0093 8.8707 122.9877 55.1044 31.9623 173.8098 67 F 5.0515 9.5684 122.8348 56.4666 41.8376 173.1418 68 N 4.9922 7.8645 123.3217 51.7828 41.3435 171.5749 69 V 3.8709 8.6735 122.3251 62.2956 33.8601 174.3973 70 Y 4.6230 8.2077 116.7082 58.2301 42.0827 175.9042 71 N 4.9193 8.1644 113.7860 52.3097 39.1698 172.8998 72 K 5.7365 8.0519 118.6633 54.2714 35.6807 174.9011 73 V 4.7261 8.6373 123.8235 61.3697 34.5079 173.3699 74 H 5.1438 9.5771 128.1908 54.8120 31.9597 172.7310 75 I 5.3964 9.6302 127.3243 60.0657 40.1511 174.8168 76 T 5.5014 9.0489 122.5336 62.0689 71.3589 173.5185 77 L 5.1214 10.5096 125.6504 52.7354 45.6977 173.4500 78 S 5.1413 8.5264 112.0320 57.3208 63.8886 174.2312 79 T 4.3051 8.1876 125.4246 63.5771 69.0150 175.3929 80 H 4.4526 8.7539 122.1204 58.3938 29.6143 177.1467 81 E 3.9263 8.3736 119.0917 59.5570 29.3841 177.7448 82 C 4.1599 8.0758 113.5035 60.3256 28.8641 171.7773 83 A 3.5137 6.9583 121.6486 49.8815 15.0890 176.2174 84 G 4.6301 8.7087 106.0907 43.4154 0.0000 171.4078 85 L 3.7751 7.9802 118.5917 54.2725 41.3100 176.9976 86 S 4.9489 9.4129 118.6381 55.9328 65.6730 174.1838 87 E 4.1438 8.5856 118.0858 57.1253 29.0683 177.2011 88 R 4.4551 7.7663 112.4282 56.6024 30.7783 176.8999 89 D 4.5684 8.1073 119.5663 57.0645 41.1864 178.4382 90 I 3.5134 7.5602 119.7497 64.4853 36.8642 177.7391 91 N 4.2375 7.4733 116.4926 55.9817 38.9266 175.6985 92 L 4.4181 7.5653 120.1244 56.4185 43.0168 177.7064 93 A 3.9017 8.3046 121.1955 55.4472 18.0516 179.8556 94 S 4.1887 7.8733 113.4914 61.4927 62.9501 176.5977 95 F 4.0247 8.1388 122.9418 61.4695 39.3039 177.1622 96 I 4.0255 8.8434 119.5714 64.1973 36.8202 178.2835 97 E 4.3385 8.2286 119.6452 59.3484 29.4551 178.6085 98 Q 3.9474 7.9005 117.6049 59.0508 28.5726 178.9334 99 V 3.4825 7.4055 118.0113 66.2193 31.5787 177.6876 100 A 4.2447 8.0470 118.6352 55.7824 18.4476 179.0795 101 V 3.6473 8.0288 116.3170 66.1131 32.5127 176.6417 102 S 4.7294 8.0732 117.2291 57.5652 60.1832 172.1707 103 M 4.1114 8.1314 128.9973 56.2548 36.2627 174.7288 104 T 3.7393 7.5345 119.8754 64.0506 69.1524 171.8487 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 *6 H 8.44 4.67 0.00 2.95 2.97 0.00 7.11 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.92 4.31 0.00 1.82 1.79 0.00 3.21 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.00 8 L 8.86 3.57 0.00 1.81 1.79 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.89 3.75 0.00 3.89 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 10 A 8.75 3.31 1.22 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 0.00 0.00 11 E 8.75 3.67 0.00 1.90 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 0.00 2.32 1.90 0.00 12 E 6.86 3.35 0.00 1.93 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 2.30 1.92 0.00 13 R 8.64 3.46 0.00 2.05 2.04 0.00 3.18 0.00 0.00 3.09 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 14 D 6.56 4.29 0.00 2.64 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 15 Q 9.20 4.44 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 16 L 7.89 4.07 0.00 1.85 1.64 0.89 0.60 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 17 L 7.92 3.91 0.00 1.70 1.74 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.28 0.00 2.08 2.09 0.00 3.94 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 19 N 7.63 3.99 0.00 2.93 2.99 0.00 0.00 7.17 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 20 L 7.71 4.30 0.00 1.75 1.60 0.33 1.00 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 21 R 9.32 3.97 0.00 1.97 2.00 0.00 3.39 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 22 A 9.01 4.13 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 23 V 7.39 4.17 2.37 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 1.12 0.00 0.00 0.97 0.00 0.00 24 G 7.71 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 25 W 7.95 4.40 0.00 3.22 3.05 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 0.00 0.00 0.00 26 N 8.22 4.17 0.00 2.24 1.42 0.00 0.00 6.90 7.65 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 27 E 8.89 5.27 0.00 1.94 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 2.33 2.25 0.00 28 L 8.92 4.71 0.00 1.80 1.73 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.07 4.17 0.00 2.01 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 2.38 2.29 0.00 30 G 7.85 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.27 4.23 0.00 1.99 2.01 0.00 3.06 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 32 D 7.83 4.71 0.00 2.79 2.63 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 0.00 0.00 0.00 0.00 33 A 7.43 5.34 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 34 I 8.38 5.21 2.11 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.31 0.95 0.00 0.00 35 F 7.71 6.22 0.00 3.37 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 36 K 8.28 3.97 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.51 0.21 7.81 37 Q 7.22 4.88 0.00 1.87 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.56 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 38 F 7.99 3.70 0.00 2.70 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 0.00 0.00 0.00 0.00 39 H 8.25 5.18 0.00 2.82 3.10 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.44 4.92 0.00 2.62 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 41 K 8.22 4.01 0.00 1.77 1.89 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.43 7.81 42 D 7.50 4.35 0.00 2.91 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 43 F 7.47 4.28 0.00 2.99 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 44 N 8.27 3.66 0.00 2.78 2.78 0.00 0.00 6.69 7.65 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 45 R 8.25 3.99 0.00 2.09 1.73 0.00 3.12 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 46 A 7.26 2.91 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 47 F 8.43 3.88 0.00 1.88 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.37 3.43 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 0.00 49 F 7.42 4.04 0.00 2.63 2.48 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 50 M 7.52 3.58 0.00 1.39 1.35 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.81 0.00 51 T 7.07 3.65 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 1.11 0.00 0.00 52 R 7.39 3.94 0.00 1.92 2.12 0.00 3.31 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 53 V 7.36 3.66 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 0.77 0.00 0.00 0.58 0.00 0.00 54 A 8.40 4.24 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 0.00 0.00 0.00 0.00 0.00 55 L 7.47 3.85 0.00 1.61 1.65 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.45 3.63 0.00 1.61 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 57 A 8.16 3.57 1.21 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 0.00 0.00 0.00 0.00 0.00 58 E 7.52 3.92 0.00 2.04 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 2.32 2.43 0.00 59 K 7.74 3.93 0.00 1.68 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.46 7.81 60 L 8.35 3.97 0.00 1.47 1.63 0.84 -0.14 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 61 D 8.29 4.21 0.00 2.83 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 62 H 7.63 4.52 0.00 2.93 3.05 0.00 5.97 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.92 4.43 0.00 3.07 3.01 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.20 0.00 0.49 1.48 0.00 3.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.34 0.00 65 E 8.60 4.56 0.00 2.15 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 2.37 2.34 0.00 66 W 8.87 6.01 0.00 3.44 3.21 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 0.00 0.00 0.00 67 F 9.57 5.05 0.00 3.22 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 68 N 7.86 4.99 0.00 2.49 2.37 0.00 0.00 7.09 7.71 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 69 V 8.67 3.87 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 0.86 0.00 0.00 70 Y 8.21 4.62 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.16 4.92 0.00 2.92 2.48 0.00 0.00 5.84 7.20 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 72 K 8.05 5.74 0.00 1.83 1.80 0.00 1.97 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.48 7.81 73 V 8.64 4.73 2.41 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 0.92 0.00 0.00 1.21 0.00 0.00 74 H 9.58 5.14 0.00 3.48 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.63 5.40 2.42 0.00 0.00 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 1.96 0.98 1.31 0.00 0.00 76 T 9.05 5.50 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 1.41 0.00 0.00 77 L 10.51 5.12 0.00 1.51 1.71 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.53 5.14 0.00 4.10 4.01 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 79 T 8.19 4.31 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 1.16 0.00 0.00 80 H 8.75 4.45 0.00 3.21 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.37 3.93 0.00 1.88 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 2.29 2.43 0.00 82 C 8.08 4.16 0.00 3.00 2.96 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 83 A 6.96 3.51 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 84 G 8.71 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.98 3.78 0.00 1.69 1.59 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.41 4.95 0.00 4.02 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 87 E 8.59 4.14 0.00 1.98 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 0.00 2.34 2.26 0.00 88 R 7.77 4.46 0.00 1.87 1.89 0.00 2.96 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.30 0.00 89 D 8.11 4.57 0.00 2.67 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 90 I 7.56 3.51 1.80 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 1.40 0.80 0.82 0.00 0.00 91 N 7.47 4.24 0.00 2.76 2.81 0.00 0.00 7.10 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 92 L 7.57 4.42 0.00 1.74 1.82 0.77 1.01 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 93 A 8.30 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.87 4.19 0.00 3.92 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 95 F 8.14 4.02 0.00 3.14 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 96 I 8.84 4.03 2.47 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 1.21 0.00 0.00 97 E 8.23 4.34 0.00 2.10 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 0.00 3.01 2.81 0.00 98 Q 7.90 3.95 0.00 1.78 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 99 V 7.41 3.48 2.16 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 0.88 0.00 0.00 0.30 0.00 0.00 100 A 8.05 4.24 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 0.00 101 V 8.03 3.65 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 1.04 0.00 0.00 0.99 0.00 0.00 102 S 8.07 4.73 0.00 3.93 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 0.00 103 M 8.13 4.11 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 104 T 7.53 3.74 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.