NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3186 0.0000 0.0000 62.6114 32.7218 175.0361 3 T 4.3134 7.8161 109.5167 58.0121 71.5436 172.5933 4 F 4.0527 8.7533 123.3394 58.9500 40.6046 175.1868 5 N 4.6507 8.4817 126.6729 50.7167 39.9734 173.2890 6 P 4.0193 0.0000 0.0000 65.3857 31.5449 178.1649 7 E 4.1944 8.0345 117.6948 58.4339 29.4084 177.3877 8 L 4.3261 7.5596 117.4006 54.8739 41.8359 175.4523 9 H 4.9776 7.6369 114.8176 53.1919 32.7510 172.9330 10 A 4.1599 8.6304 123.6249 52.8120 18.4894 177.5722 11 Q 4.6443 8.5767 119.3626 55.9301 30.9188 175.5395 12 T 4.6633 7.3727 110.5937 60.4807 70.2232 173.4214 13 L 4.1829 8.4262 125.9059 56.6901 42.2008 176.8636 14 N 4.9752 8.0332 117.4709 52.3601 38.7792 175.0043 15 S 4.7487 7.6605 110.6630 56.8306 66.2614 174.9014 16 E 4.3111 8.9115 122.7178 59.1345 29.8749 178.7773 17 R 3.7953 7.5762 118.2858 59.2963 30.1034 178.0557 18 A 4.0627 7.7007 119.1197 54.1888 18.3658 177.4552 19 Y 4.7001 7.9451 112.2816 57.4248 38.3603 175.1707 20 F 4.5620 8.1211 119.0824 55.5379 41.3676 174.8888 21 V 4.3531 8.3584 125.3363 61.5669 32.1584 175.4132 22 Q 4.5918 9.1736 127.4595 53.0368 28.9393 174.3684 23 P 4.3979 0.0000 0.0000 64.7039 31.2638 177.7872 24 D 4.9058 7.9888 116.7316 53.8861 41.1944 178.0112 25 A 4.2270 8.1267 125.6255 54.3849 18.7633 178.4371 26 D 4.7621 7.7861 116.1544 51.6436 43.3369 174.3955 27 P 4.4086 0.0000 0.0000 64.4084 31.6019 177.2547 28 A 3.9489 8.2253 122.8007 53.8983 18.4328 177.1241 29 F 5.1525 7.4502 114.0783 55.2641 41.7152 175.9793 30 T 4.2329 8.3883 114.8720 60.7501 70.8304 173.8763 31 P 4.2844 0.0000 0.0000 66.3787 31.4729 178.7798 32 H 4.2650 9.0364 115.2063 58.9040 28.4993 177.9958 33 I 3.6088 8.0542 121.5047 64.1418 36.8894 178.6583 34 G 3.7154 9.0001 108.0238 47.1881 0.0000 175.5585 35 A 4.0478 7.9032 122.1866 54.8486 18.4945 179.2579 36 L 4.1642 7.7521 116.3256 58.0663 41.9325 179.5590 37 V 3.7653 7.9691 118.2087 66.0008 31.2766 178.1320 38 E 4.2606 7.9644 113.8205 57.6030 28.9202 178.5351 *40 L 4.3063 7.8077 121.3821 55.2872 44.0027 179.3036 41 T 3.8440 8.3116 115.4244 66.8414 68.3534 176.0248 42 Y 3.8762 8.3193 121.2321 60.6160 38.8222 177.8822 43 A 3.9942 8.1130 121.2427 55.1752 18.4303 179.4790 44 R 4.1665 7.9101 118.5394 58.9620 30.1386 178.6246 45 L 3.8966 7.9296 119.1415 58.0598 41.7117 179.6708 46 T 3.7945 7.6421 109.5739 64.6384 68.6546 177.0862 47 T 3.7999 7.9302 118.6997 66.5575 68.3844 176.5953 48 L 4.0446 8.0721 121.1107 57.8041 41.3883 179.3392 49 Q 3.9260 8.0433 118.4610 59.1447 29.0207 177.9860 50 A 4.1087 7.7611 120.4685 54.2226 18.6941 178.9073 51 V 4.1637 7.2077 107.1875 59.9250 32.5195 175.4501 52 E 4.0701 7.2875 121.2889 57.4318 29.7893 177.0196 53 G 3.8919 8.8909 113.6443 45.1774 0.0000 173.1085 54 L 3.9294 7.5371 122.0527 54.1674 42.6075 175.1068 55 P 4.3537 0.0000 0.0000 62.6364 32.0627 177.3915 56 E 3.9877 8.8179 122.7149 58.9730 29.2330 178.7085 57 D 4.5841 8.0478 117.5867 55.3654 40.0521 177.3036 58 Q 4.2749 8.0703 119.1140 56.3999 29.0395 177.1273 59 L 3.6606 7.6771 122.6104 57.1523 41.7967 177.9221 60 W 4.6794 7.5380 114.2875 56.1180 29.6233 175.8320 61 A 4.2319 7.6223 122.2400 52.1503 18.2872 177.3772 62 T 4.6642 8.2078 110.5100 59.9727 71.8995 172.5563 63 A 4.6542 8.2853 122.6651 49.9388 22.3067 173.8597 64 P 4.4195 0.0000 0.0000 64.8740 31.3855 177.3043 65 G 3.7491 9.3090 112.6001 44.9148 0.0000 173.2148 66 F 4.6243 8.3135 118.6946 55.2458 39.1670 175.3787 67 A 4.0495 8.3640 127.8337 53.6612 18.8374 177.5211 68 N 4.8919 7.9184 113.5272 51.2450 40.2595 175.4926 69 S 4.5070 8.4787 118.5357 57.8950 65.2118 175.1567 70 I 3.6448 8.1288 122.5986 64.4811 36.6767 178.8510 71 G 2.4893 7.7642 106.7418 47.6473 0.0000 175.7916 72 T 3.9880 7.7162 118.0723 66.4340 68.4159 176.7568 73 L 3.9070 8.0067 120.8677 57.7649 41.7715 179.5643 74 L 3.9236 8.1896 119.0652 57.6908 41.5308 179.4277 75 A 4.1184 8.3231 121.0077 55.3164 18.2672 179.2245 76 H 4.2572 8.1429 118.0509 58.9079 29.8029 177.4155 77 I 3.5746 7.9413 121.5995 64.4869 36.9760 178.2991 78 A 3.9849 7.9002 120.7450 55.1223 18.2208 179.5746 79 A 3.9683 8.1458 119.3552 55.1308 18.3449 180.0027 80 V 3.4726 8.0613 117.3075 66.0290 31.4325 177.7939 81 E 3.9119 7.8367 118.9776 59.4380 29.3445 179.0197 82 R 3.8440 8.0589 117.9960 59.1834 30.0922 179.1140 83 V 3.5289 8.2782 118.2777 66.4035 31.5388 177.7851 84 Y 3.4900 8.1074 116.1702 60.6639 37.5162 177.8605 85 H 3.8333 8.2337 117.6999 58.7480 28.8009 177.8733 86 V 3.6570 7.5515 119.8629 66.0992 31.3576 178.1307 87 L 4.1845 7.8350 120.1213 57.1227 41.1934 179.3358 88 S 4.5775 8.4703 112.3556 60.5576 62.9747 174.8220 89 F 5.1962 8.4063 117.2083 59.6432 39.4859 177.1903 90 Q 4.2815 8.4143 117.8054 56.4404 29.0609 176.3973 91 G 4.0271 8.8698 105.5364 46.0663 0.0000 173.0994 92 R 4.7776 7.6563 113.6984 53.5835 32.7781 174.1416 93 D 4.4875 8.4787 118.3505 54.3732 41.5364 176.7035 94 V 4.3840 8.0581 115.2577 60.8642 33.0023 175.8006 95 T 4.6838 8.7545 112.0520 59.0276 71.7294 173.4277 96 P 3.9201 0.0000 0.0000 65.3924 31.6869 178.2046 97 E 4.0649 8.1047 117.0898 59.2966 29.5030 177.6689 98 D 4.6721 8.4113 116.8233 55.4952 41.9175 176.3976 99 D 5.0338 8.2631 119.4709 52.7185 42.0684 177.7989 100 G 3.8266 8.7286 109.2706 47.3217 0.0000 174.6999 101 A 4.2146 8.0420 122.6555 54.8942 18.4853 179.3470 102 A 4.0541 8.1222 118.8620 55.6108 18.4812 179.0541 103 Y 3.7260 8.6142 118.4145 60.2593 38.5897 178.1213 104 W 5.0485 7.8598 129.6930 60.0484 31.1677 177.5465 105 G 3.7800 8.3110 105.3020 47.8426 0.0000 175.0320 106 L 3.8779 7.9780 122.3647 57.5174 42.2603 178.3351 107 T 4.1808 7.6980 108.6492 63.3431 69.5689 176.7609 *109 G 2.9090 7.7019 107.2597 43.7294 0.0000 173.3587 110 K 4.1624 7.7618 119.6749 57.8328 32.6852 176.0744 111 E 4.7954 8.2685 117.1938 54.9674 33.4374 175.1386 112 G 4.1032 8.7815 106.2725 45.3259 0.0000 172.1710 113 T 4.3783 8.3779 117.1343 61.4170 69.6942 174.1660 114 A 2.5800 8.1172 129.7963 50.3232 19.0685 175.0944 115 P 4.1750 0.0000 0.0000 61.9391 32.3009 176.6436 116 A 4.0360 8.4989 122.4262 54.6358 18.3449 178.0733 117 R 4.6380 7.2883 108.6507 53.7558 32.7144 174.8812 118 L 4.0140 8.0529 119.0656 53.8359 42.1898 175.6693 119 P 4.7293 0.0000 0.0000 62.7145 32.2158 176.7598 120 T 4.4981 8.9203 111.6355 60.9253 71.1479 175.5660 121 L 3.8779 8.9258 122.6705 58.5386 41.9057 178.7030 122 D 4.3889 8.0849 118.2332 57.4376 40.7198 178.5075 123 E 4.0063 8.2540 119.0282 59.2235 29.4090 179.2900 124 L 4.0431 8.2792 119.3664 58.0382 41.6732 179.8747 125 R 3.9140 8.2099 117.7178 59.0621 29.8710 178.9733 126 A 3.9847 8.2711 120.8663 55.1317 18.3170 179.3462 127 E 3.8903 8.5013 118.0184 59.2098 29.7400 178.7555 128 L 3.9498 8.1374 119.0102 58.0122 41.6837 179.5257 129 A 3.9996 8.1999 120.4793 55.1880 18.1808 179.4494 130 D 4.2603 8.4432 117.4563 57.3610 40.9836 178.7671 131 A 4.1068 8.2050 121.4018 55.3377 18.4404 179.6803 132 R 4.1810 8.3504 118.2440 58.9450 30.1322 178.4131 133 A 3.8610 8.1660 120.8012 55.1975 18.3342 179.2865 134 E 3.8387 7.9556 117.8645 59.4493 29.6098 179.0290 135 T 3.6639 7.6233 115.3284 66.7495 68.5365 176.6297 136 L 3.7189 7.5886 120.5872 57.2484 41.2694 179.3898 137 R 3.8069 7.6158 118.1654 59.5703 30.2766 178.4823 138 V 3.3506 7.3528 117.6743 65.8547 31.5144 177.7101 139 F 4.1792 8.2234 117.6113 60.8781 38.5498 177.5262 140 A 4.4254 8.2895 119.5377 53.8315 18.2127 178.6647 141 A 4.1784 7.7900 117.8479 52.0664 19.2394 177.1654 142 K 4.2512 6.9333 115.9859 54.4932 34.4168 174.3158 143 D 5.1719 7.9384 117.7105 49.9577 42.4163 176.0754 144 D 4.4736 8.7380 117.5471 57.0174 40.8210 178.3343 145 A 4.1871 8.1762 121.4608 54.8412 18.3714 179.1872 146 W 4.3223 8.6064 126.9224 60.6438 30.7954 177.9869 147 L 3.5126 7.9664 120.0531 57.5745 41.2667 178.1357 148 A 4.2198 7.4220 118.8839 52.4354 19.1507 177.4756 149 E 4.1286 7.4760 118.0802 54.9254 30.3276 174.9633 150 P 4.6917 0.0000 0.0000 62.2395 32.2920 176.5766 151 L 4.1563 8.6374 121.7600 54.9044 42.3388 178.7210 152 G 3.7517 8.9790 111.5259 48.6483 0.0000 173.0557 153 P 4.3422 0.0000 0.0000 62.3243 31.6050 177.1613 154 G 3.5545 8.0734 107.9302 45.3634 0.0000 174.4539 155 W 3.6785 9.6766 116.1461 56.4735 26.6914 173.8001 156 A 4.3265 7.3544 119.5498 50.4591 22.1135 174.9868 157 N 5.3542 8.1954 117.4107 51.2932 41.1357 175.9373 158 Q 3.9760 8.4844 119.9225 59.2616 28.5478 178.8756 159 H 4.2002 8.2195 119.2006 59.0747 29.9554 177.0669 160 W 4.1841 8.8717 130.0860 60.4310 30.5223 177.5170 161 A 3.6556 8.3368 120.6660 55.1440 17.5749 179.7067 162 W 3.9184 7.7168 115.6130 59.2848 29.2897 178.1821 163 F 4.3219 8.0171 120.1432 61.7834 38.9966 176.4495 164 H 3.5249 7.4004 119.1802 58.0484 29.1970 177.5386 165 V 3.0711 6.5779 116.1238 63.9126 31.2480 176.8186 *167 E 3.9583 8.0768 119.5590 55.7584 31.2975 177.3378 168 D 4.2541 7.9733 118.0966 56.9256 40.9792 177.6057 169 E 3.8810 7.7556 119.8658 59.4411 29.6335 179.1250 170 V 3.5576 7.6128 117.5573 65.7798 31.5340 177.0282 171 N 4.1881 8.2608 117.1209 57.3792 38.7181 176.5706 172 H 4.5876 8.1818 117.0773 58.5174 28.7757 177.7752 173 R 4.0598 8.6570 121.3837 59.1312 29.2978 178.7513 174 G 3.6372 8.2154 105.8330 47.7899 0.0000 175.7850 175 Q 4.1657 7.7221 118.9501 58.7502 28.7044 178.6106 176 L 3.9338 8.3186 120.4300 57.8802 41.5329 179.7116 177 R 3.8832 8.1084 117.8598 59.4304 30.0625 179.1961 178 L 3.9968 7.6396 117.7487 57.5463 41.6712 179.2827 179 L 2.9331 7.8343 120.3977 57.7929 41.8421 178.9421 180 R 3.7672 7.9826 118.7968 59.4563 29.7354 178.2603 181 Q 3.8975 7.4943 118.5480 59.0426 29.1015 178.0102 182 V 3.6617 7.3941 118.4026 65.9458 31.6617 177.6410 183 L 4.2003 7.7303 116.5602 56.2297 41.6853 176.8087 184 A 4.1898 7.5494 126.3133 52.2705 19.3617 175.4774 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 P 0.00 4.32 0.00 1.98 1.96 0.00 3.49 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 3 T 7.82 4.31 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 1.17 0.00 0.00 4 F 8.75 4.05 0.00 3.20 3.16 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 0.00 0.00 0.00 0.00 5 N 8.48 4.65 0.00 2.60 2.46 0.00 0.00 6.52 7.82 0.00 0.00 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 P 0.00 4.02 0.00 2.27 2.45 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 7 E 8.03 4.19 0.00 2.35 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 2.34 2.15 0.00 8 L 7.56 4.33 0.00 1.49 1.52 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.64 4.98 0.00 3.16 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.63 4.16 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 11 Q 8.58 4.64 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 12 T 7.37 4.66 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 13 L 8.43 4.18 0.00 1.71 1.83 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.03 4.98 0.00 2.75 2.87 0.00 0.00 6.74 7.09 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 15 S 7.66 4.75 0.00 3.98 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 16 E 8.91 4.31 0.00 2.12 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 2.48 2.60 0.00 17 R 7.58 3.80 0.00 1.93 1.93 0.00 3.18 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 18 A 7.70 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.95 4.70 0.00 3.16 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 20 F 8.12 4.56 0.00 2.88 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 21 V 8.36 4.35 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 0.91 0.00 0.00 22 Q 9.17 4.59 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 23 P 0.00 4.40 0.00 2.20 2.32 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 24 D 7.99 4.91 0.00 2.71 2.66 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 0.00 0.00 0.00 25 A 8.13 4.23 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 26 D 7.79 4.76 0.00 2.90 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 27 P 0.00 4.41 0.00 2.16 2.13 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 28 A 8.23 3.95 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 29 F 7.45 5.15 0.00 3.14 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 30 T 8.39 4.23 4.29 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 1.25 0.00 0.00 31 P 0.00 4.28 0.00 2.11 2.12 0.00 3.81 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 2.11 2.20 0.00 32 H 9.04 4.26 0.00 3.34 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.05 3.61 2.00 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 1.22 0.76 0.55 0.00 0.00 34 G 9.00 3.72 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 35 A 7.90 4.05 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 L 7.75 4.16 0.00 1.80 1.90 0.96 0.91 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 37 V 7.97 3.77 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 0.99 0.00 0.00 0.25 0.00 0.00 38 E 7.96 4.26 0.00 2.29 2.02 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 2.61 2.58 0.00 *40 L 7.81 4.31 0.00 1.89 1.76 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.31 3.84 4.51 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 1.30 0.00 0.00 42 Y 8.32 3.88 0.00 3.11 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 43 A 8.11 3.99 1.35 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 0.00 0.00 44 R 7.91 4.17 0.00 1.99 2.03 0.00 3.17 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 45 L 7.93 3.90 0.00 1.60 1.53 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.64 3.79 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 E 8.25 4.01 0.00 2.34 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 2.36 2.38 0.00 124 L 8.28 4.04 0.00 1.86 1.72 0.81 1.37 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 0.00 125 R 8.21 3.91 0.00 1.98 1.97 0.00 3.11 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 126 A 8.27 3.98 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 0.00 127 E 8.50 3.89 0.00 2.13 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 2.38 2.44 0.00 128 L 8.14 3.95 0.00 1.92 1.71 0.90 0.62 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 0.00 129 A 8.20 4.00 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 0.00 130 D 8.44 4.26 0.00 2.85 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 0.00 131 A 8.21 4.11 1.40 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 0.00 0.00 0.00 132 R 8.35 4.18 0.00 1.89 2.01 0.00 2.97 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.00 133 A 8.17 3.86 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 0.00 134 E 7.96 3.84 0.00 2.04 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 0.00 2.21 2.22 0.00 135 T 7.62 3.66 3.98 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 -0.36 0.00 0.00 136 L 7.59 3.72 0.00 1.41 1.56 -0.34 0.22 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 0.00 137 R 7.62 3.81 0.00 1.85 2.02 0.00 3.21 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 138 V 7.35 3.35 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 0.00 0.00 -0.23 0.00 0.00 0.44 0.00 0.00 139 F 8.22 4.18 0.00 3.19 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 0.00 140 A 8.29 4.43 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 0.00 141 A 7.79 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 6.93 4.25 0.00 1.37 1.30 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.21 7.81 143 D 7.94 5.17 0.00 2.90 2.79 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 0.00 144 D 8.74 4.47 0.00 2.75 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.18 4.19 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 0.00 146 W 8.61 4.32 0.00 3.47 3.48 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 0.00 147 L 7.97 3.51 0.00 1.87 1.79 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.42 4.22 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 0.00 149 E 7.48 4.13 0.00 1.92 1.82 0.00 0.00 0.00 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 2.52 0.00 150 P 0.00 4.69 0.00 1.99 1.91 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 151 L 8.64 4.16 0.00 1.75 1.68 1.10 1.30 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 0.00 152 G 8.98 3.75 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 0.00 0.00 0.00 153 P 0.00 4.34 0.00 2.15 2.17 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 154 G 8.07 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 W 9.68 3.68 0.00 3.45 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 0.00 156 A 7.35 4.33 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 0.00 157 N 8.20 5.35 0.00 3.07 2.94 0.00 0.00 5.92 7.42 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 0.00 158 Q 8.48 3.98 0.00 1.63 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.19 1.39 0.00 159 H 8.22 4.20 0.00 3.39 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 W 8.87 4.18 0.00 3.54 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 0.00 161 A 8.34 3.66 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 0.00 162 W 7.72 3.92 0.00 3.57 3.66 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 0.00 0.00 0.00 163 F 8.02 4.32 0.00 2.89 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 0.00 164 H 7.40 3.52 0.00 1.40 2.12 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 6.58 3.07 2.02 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 0.97 0.00 0.00 -0.05 0.00 0.00 *167 E 8.08 3.96 0.00 1.16 1.20 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 2.04 1.88 0.00 168 D 7.97 4.25 0.00 2.50 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 0.00 0.00 0.00 0.00 169 E 7.76 3.88 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 170 V 7.61 3.56 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 0.99 0.00 0.00 0.95 0.00 0.00 171 N 8.26 4.19 0.00 2.67 2.83 0.00 0.00 7.25 8.70 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 0.00 172 H 8.18 4.59 0.00 3.22 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.66 4.06 0.00 1.83 2.07 0.00 3.26 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 174 G 8.22 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 7.72 4.17 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 176 L 8.32 3.93 0.00 1.84 1.68 0.88 0.73 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 0.00 177 R 8.11 3.88 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 178 L 7.64 4.00 0.00 2.08 1.92 1.05 0.57 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 0.00 179 L 7.83 2.93 0.00 1.30 1.55 0.50 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 180 R 7.98 3.77 0.00 1.82 1.83 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 181 Q 7.49 3.90 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 182 V 7.39 3.66 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 0.83 0.00 0.00 0.91 0.00 0.00 183 L 7.73 4.20 0.00 1.57 1.64 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.55 4.19 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 * Residues marked with a * may have inaccurate shift predictions.