NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 S 4.3846 8.3349 115.2859 57.6967 64.2763 174.9643 58 P 4.1622 0.0000 0.0000 64.0248 31.4549 175.2845 59 G 4.2659 8.8999 105.5306 46.7614 0.0000 172.2558 60 I 5.0331 7.5235 122.0825 59.4737 39.1221 174.7452 61 W 5.1024 9.3548 126.5548 54.8349 33.2145 174.0151 62 Q 5.1637 9.3495 124.3612 54.3992 31.0294 174.2282 63 L 5.5706 8.4186 125.6721 53.3430 45.0211 175.2184 64 D 4.7740 8.8934 120.1880 53.0522 43.3654 173.4237 65 C 5.2047 8.8341 116.5667 58.3952 30.3691 173.2575 66 T 4.6926 8.9779 117.3529 60.5092 70.8496 171.8672 67 H 5.4920 8.4514 118.9226 54.1488 32.8207 173.3489 68 L 4.3857 9.0740 121.8256 55.3656 45.2680 175.0181 69 E 3.8706 9.8774 123.9124 57.4942 27.0126 175.6501 70 G 3.9279 8.4959 104.2671 45.6753 0.0000 174.1752 71 K 4.5820 8.1590 119.4626 54.4682 34.7777 174.9344 72 V 4.6826 8.0390 120.4220 61.5835 33.6861 174.4049 73 I 4.9008 8.6589 128.8003 59.4074 40.1278 174.1951 74 L 4.6593 8.7144 130.4586 53.9837 43.5779 175.2996 75 V 4.9829 8.9265 126.2906 60.9848 34.5163 173.7492 76 A 5.4912 9.6881 129.6435 50.2142 21.9053 175.0649 77 V 4.7245 9.4085 122.6923 61.2119 34.7421 174.1081 78 H 3.5161 8.8470 128.8149 54.8587 28.9809 175.7063 79 V 3.3485 7.8144 127.1639 65.8817 31.5341 178.2340 80 A 4.0047 7.4931 120.8984 54.1983 18.2989 177.9692 81 S 4.4168 7.1388 105.2320 57.3714 64.6655 175.6040 82 G 3.8534 8.1766 108.0455 45.4243 0.0000 172.9657 83 Y 4.4489 7.7592 122.0244 57.5905 39.7724 174.9234 84 I 5.1572 8.1018 118.3118 59.1589 41.1059 174.3065 85 E 4.9581 9.1509 121.2071 55.0384 33.6896 174.6745 86 A 5.2852 8.6032 121.8340 51.4605 22.4207 175.2429 87 E 4.7569 8.8982 119.6249 54.7438 33.8441 174.5934 88 V 4.2969 8.5950 127.0741 63.0664 30.8007 174.9465 89 I 4.7614 8.4439 121.6394 58.3434 39.8637 175.1770 90 P 4.3574 0.0000 0.0000 65.2351 31.6496 176.1519 91 A 4.5445 7.1002 119.4431 51.1976 22.3969 176.3766 92 E 4.2564 8.4626 123.4552 54.9320 28.3348 175.6992 93 T 4.8015 7.2914 112.8564 58.6993 73.8194 175.1204 94 G 3.8420 8.3769 109.2259 47.0579 0.0000 175.7102 95 Q 3.9812 8.0294 121.3595 59.2720 29.2528 178.2401 96 E 4.1189 8.0685 119.0682 59.5706 29.4052 179.5557 97 T 3.8794 7.9906 115.7344 66.4863 68.4940 176.5324 98 A 4.0904 8.7090 123.0923 55.4707 18.4011 179.1012 99 Y 4.1480 8.1611 117.9345 60.8043 38.8965 177.8548 100 F 3.9326 8.2930 121.3500 61.3336 39.4103 177.0670 101 L 4.0306 8.4165 118.6740 57.8068 41.1329 179.4729 102 L 3.9882 8.1306 118.9867 57.6767 41.1501 179.7501 103 K 3.7646 7.6910 118.3442 59.2218 32.0764 179.0142 104 L 3.5684 7.6299 120.3358 58.1884 41.7144 179.0134 105 A 4.0870 8.0662 119.6957 54.7285 18.3504 179.3615 106 G 3.6277 7.5890 102.9096 46.7373 0.0000 175.1730 107 R 3.9791 7.0106 119.4286 56.2607 30.8499 175.9757 108 W 5.2819 7.1392 115.6269 54.1197 32.7437 173.9991 109 P 4.5427 0.0000 0.0000 61.9621 29.4041 173.4337 110 V 4.4193 7.9511 124.5677 63.0593 32.1739 175.1765 111 K 4.5319 9.2360 127.5831 57.6903 34.5484 176.9400 112 T 5.1407 7.8349 115.2701 61.7867 73.0143 173.4255 113 V 4.8484 8.5719 119.0347 59.9395 34.7372 174.2640 114 H 5.1984 9.3048 124.0192 54.7864 30.2983 174.6109 115 T 4.8059 8.4395 112.7440 59.6975 72.7405 173.6963 116 D 4.9710 8.0227 120.8890 53.1498 41.5927 176.2895 117 N 4.9519 8.8179 119.0311 53.4331 38.9097 175.4038 118 G 4.0264 8.9279 108.8292 46.1308 0.0000 174.7731 119 S 4.1094 9.0553 116.6486 61.6373 61.7841 176.7050 120 N 4.2818 7.9624 118.8180 55.7576 36.9156 176.9191 121 F 4.6882 7.8421 119.3395 59.6282 39.3109 177.0535 122 T 4.4321 7.9939 106.8911 61.1550 69.7959 174.7851 123 S 4.1368 7.3346 116.7828 59.3077 63.0787 175.3493 124 T 3.9841 8.6173 122.9221 67.0087 68.1768 176.8660 125 T 3.9118 7.9054 114.7393 64.9102 67.4147 176.3985 126 V 3.6980 7.8308 119.9501 65.9448 31.6458 177.8471 127 K 4.0644 8.3699 118.0593 59.5688 31.8179 179.1318 128 A 4.2156 8.4801 120.8719 55.1825 18.3302 179.5038 129 A 4.1326 8.2380 119.3546 55.6530 18.3916 179.7162 130 C 4.1968 8.4928 115.2919 62.5795 28.3303 176.1198 131 W 4.1866 8.6282 130.0983 60.2962 30.1603 177.7634 132 W 3.1076 8.6412 127.0156 59.9464 30.2843 176.9684 133 A 4.3038 8.2689 117.5341 51.5751 18.4346 177.2580 134 G 3.6168 7.4575 104.7658 46.4047 0.0000 173.4750 135 I 4.5603 8.2281 120.9277 59.0467 39.1117 175.6337 136 K 4.2410 9.2673 129.2700 55.9966 33.3181 175.0532 137 Q 4.8307 8.6406 128.8686 54.7554 30.5827 174.1571 138 E 4.6045 8.6418 125.6744 54.5821 32.3918 175.4423 139 F 5.0244 8.7189 122.4135 55.3550 41.2416 176.3987 140 G 4.0301 8.0108 109.2384 45.8459 0.0000 174.4977 141 I 4.6782 7.3999 118.3047 58.6513 40.2477 174.7514 142 P 4.5635 0.0000 0.0000 61.8415 32.1835 175.4590 143 Y 4.0594 8.6014 120.2504 58.4602 39.0645 175.9455 144 N 4.6355 7.8091 124.5216 51.0131 40.5035 172.8316 145 P 4.0327 0.0000 0.0000 65.5569 31.5314 178.4905 146 Q 3.9034 7.9050 116.1869 59.1460 28.2435 178.5703 147 S 3.9887 8.9273 114.3414 61.5642 62.2688 176.0322 148 Q 4.0807 8.1739 122.1680 58.5895 28.6436 178.2008 149 G 3.5676 8.2745 107.6307 47.5487 0.0000 175.8037 150 V 3.5339 7.5414 120.1601 65.8689 31.4950 178.0622 151 I 3.7188 7.3921 117.4359 64.0257 37.8546 177.4053 152 E 3.9590 8.4744 119.8633 59.6058 29.2062 179.4693 153 S 4.0600 8.3261 113.1902 61.5580 62.5234 175.9160 154 M 3.9716 7.9327 120.6909 58.6930 32.0084 177.8910 155 N 4.3817 8.4960 117.0418 56.3050 38.6880 177.6147 156 K 4.0223 8.1272 119.9404 59.2479 32.1384 179.0845 157 E 3.9064 8.3881 119.8214 59.1126 29.5370 178.6015 158 L 3.9120 8.3907 120.6764 58.2441 42.2177 179.0958 159 K 4.0084 8.1267 118.3788 59.2049 31.6889 179.2760 160 K 3.9532 7.8724 119.1915 59.5294 32.4735 178.6815 161 I 3.8775 7.7432 120.0318 64.5263 37.0524 178.2759 162 I 3.8201 8.2317 121.2099 64.6131 36.7082 178.6945 163 G 3.6489 8.0181 105.3351 47.9040 0.0000 175.5293 164 Q 4.1876 7.9205 119.5124 57.9373 29.0017 178.0224 165 V 4.2339 7.5380 110.6187 60.8048 31.9668 177.2956 166 R 3.8697 7.9046 120.8872 59.5460 29.9206 177.3734 167 D 4.6638 8.0241 113.3222 54.2429 39.5508 176.4089 168 Q 4.3431 8.2921 118.5301 56.3166 29.4434 175.3439 169 A 4.7321 7.4048 119.3433 50.0599 22.4671 175.9832 170 E 3.9725 8.9693 121.7743 59.2075 30.2935 176.8167 171 H 4.9087 7.7693 115.5935 53.8189 30.9038 175.6332 172 L 4.0000 8.6876 125.0111 58.3183 41.5593 179.4874 173 K 4.1261 8.1379 118.1387 60.3487 32.2142 179.1824 174 T 3.9886 7.9212 116.1232 66.4273 68.4104 176.7954 175 A 3.9873 7.9819 122.2029 54.9137 18.3096 179.7102 176 V 3.5458 8.3319 117.3568 66.4201 31.6612 178.3705 177 Q 4.0739 7.8085 116.4294 59.0980 28.5178 178.5436 178 M 4.0514 8.4117 119.8469 58.5015 31.9500 178.7207 179 A 4.0787 8.2552 121.0077 55.0333 18.4481 179.8524 180 V 3.5379 8.2493 117.2308 65.9819 31.6055 177.8513 181 F 4.0407 8.4425 120.3716 61.5326 38.8361 177.0780 182 I 3.8126 8.1662 119.2096 64.6458 36.7182 177.8144 183 H 4.1082 8.2730 117.8922 59.6207 30.0166 176.9175 184 N 4.4175 8.5345 118.1301 55.4557 38.1546 176.8834 185 K 4.1743 7.7019 118.0812 55.7179 32.7874 176.8049 186 K 4.0127 7.1725 121.9858 55.8673 32.4508 175.9717 187 R 4.1654 8.4193 126.4681 55.8150 30.6717 176.7475 *195 S 4.6679 8.6598 118.7628 57.9793 65.5252 174.5320 196 A 4.0818 8.3920 125.1728 55.4158 17.9740 180.3555 197 G 3.7614 8.3672 104.2948 48.1568 0.0000 175.8069 198 E 3.9364 8.1511 120.4401 59.1695 29.4958 179.6199 199 R 3.9040 8.0076 118.2280 59.0793 30.0586 178.9633 200 I 3.4076 7.7089 118.4164 64.1570 37.9216 178.4840 201 V 3.8043 7.3010 112.9174 64.3336 31.2013 178.1287 202 D 4.3748 8.2054 118.0225 57.1669 41.0204 178.4312 203 I 3.7044 8.2414 120.8076 64.4374 37.0598 178.5377 204 I 3.7361 8.1807 120.8839 64.1791 36.7155 178.3121 205 A 3.9869 8.2645 120.9440 55.5987 18.3299 179.3751 206 T 3.9578 7.5020 110.4118 64.9573 67.4346 175.7415 207 D 4.4486 7.8888 119.5675 57.2765 41.3834 176.5505 208 I 3.9934 7.8680 123.6948 61.9210 37.4080 175.5638 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 57 S 8.33 4.38 0.00 3.80 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 58 P 0.00 4.16 0.00 2.19 2.10 0.00 3.70 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 2.35 2.12 0.00 59 G 8.90 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 0.00 0.00 0.00 0.00 60 I 7.52 5.03 1.80 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 1.36 1.54 0.98 0.00 0.00 61 W 9.35 5.10 0.00 3.23 3.14 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 0.00 62 Q 9.35 5.16 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 63 L 8.42 5.57 0.00 1.39 1.54 1.09 1.08 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 64 D 8.89 4.77 0.00 2.74 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 65 C 8.83 5.20 0.00 2.90 2.78 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 66 T 8.98 4.69 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 67 H 8.45 5.49 0.00 3.00 3.15 0.00 5.98 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 9.07 4.39 0.00 1.66 1.47 0.94 0.78 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 69 E 9.88 3.87 0.00 2.15 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 2.23 2.30 0.00 70 G 8.50 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.16 4.58 0.00 1.93 1.72 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 72 V 8.04 4.68 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 0.93 0.00 0.00 0.98 0.00 0.00 73 I 8.66 4.90 1.84 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 1.12 0.50 0.90 0.00 0.00 74 L 8.71 4.66 0.00 1.50 1.09 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.93 4.98 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 0.93 0.00 0.00 0.92 0.00 0.00 76 A 9.69 5.49 1.66 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 0.00 0.00 77 V 9.41 4.72 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 0.84 0.00 0.00 0.94 0.00 0.00 78 H 8.85 3.52 0.00 1.40 2.57 0.00 5.66 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.81 3.35 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 0.76 0.00 0.00 0.88 0.00 0.00 80 A 7.49 4.00 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.14 4.42 0.00 3.92 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 82 G 8.18 3.85 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 0.00 0.00 0.00 83 Y 7.76 4.45 0.00 3.06 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 84 I 8.10 5.16 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.86 0.00 0.00 85 E 9.15 4.96 0.00 2.13 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 2.35 2.50 0.00 86 A 8.60 5.29 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 87 E 8.90 4.76 0.00 2.35 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 2.31 2.36 0.00 88 V 8.60 4.30 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 0.92 0.00 0.00 0.96 0.00 0.00 89 I 8.44 4.76 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.99 0.00 0.00 90 P 0.00 4.36 0.00 2.20 2.23 0.00 3.98 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 1.99 1.97 0.00 91 A 7.10 4.54 1.23 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 0.00 0.00 0.00 92 E 8.46 4.26 0.00 1.93 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 2.15 2.19 0.00 93 T 7.29 4.80 4.21 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 1.19 0.00 0.00 94 G 8.38 3.84 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 0.00 0.00 0.00 95 Q 8.03 3.98 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 96 E 8.07 4.12 0.00 2.09 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 2.61 0.00 97 T 7.99 3.88 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 1.23 0.00 0.00 98 A 8.71 4.09 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 99 Y 8.16 4.15 0.00 3.15 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 0.00 100 F 8.29 3.93 0.00 3.23 3.15 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 0.00 101 L 8.42 4.03 0.00 2.09 1.77 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.13 3.99 0.00 1.79 1.63 0.88 0.62 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 0.00 103 K 7.69 3.76 0.00 1.57 1.54 0.00 1.37 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.09 1.02 7.81 104 L 7.63 3.57 0.00 1.37 1.56 0.52 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.07 4.09 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 0.00 106 G 7.59 3.63 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 0.00 107 R 7.01 3.98 0.00 1.53 1.87 0.00 3.07 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 108 W 7.14 5.28 0.00 3.20 3.19 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 0.00 0.00 0.00 0.00 109 P 0.00 4.54 0.00 2.32 2.29 0.00 4.11 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 110 V 7.95 4.42 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 0.75 0.00 0.00 0.57 0.00 0.00 111 K 9.24 4.53 0.00 1.93 1.84 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.48 7.81 112 T 7.83 5.14 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 1.09 0.00 0.00 113 V 8.57 4.85 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 0.76 0.00 0.00 0.89 0.00 0.00 114 H 9.30 5.20 0.00 2.98 3.12 0.00 5.56 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 0.00 115 T 8.44 4.81 2.89 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 0.83 0.00 0.00 116 D 8.02 4.97 0.00 2.92 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 0.00 117 N 8.82 4.95 0.00 2.78 2.88 0.00 0.00 6.70 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 0.00 118 G 8.93 4.03 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 0.00 0.00 0.00 119 S 9.06 4.11 0.00 3.90 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 0.00 120 N 7.96 4.28 0.00 2.72 3.04 0.00 0.00 6.26 8.12 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 0.00 121 F 7.84 4.69 0.00 3.42 3.31 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 0.00 122 T 7.99 4.43 4.13 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 1.18 0.00 0.00 123 S 7.33 4.14 0.00 4.05 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 0.00 124 T 8.62 3.98 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 1.23 0.00 0.00 125 T 7.91 3.91 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 1.23 0.00 0.00 126 V 7.83 3.70 2.35 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 1.26 0.00 0.00 1.16 0.00 0.00 127 K 8.37 4.06 0.00 2.12 1.98 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.83 7.81 128 A 8.48 4.22 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.24 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.49 4.20 0.00 3.28 3.32 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 0.00 131 W 8.63 4.19 0.00 3.51 3.56 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 0.00 132 W 8.64 3.11 0.00 3.53 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 0.00 133 A 8.27 4.30 1.48 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 0.00 0.00 134 G 7.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.23 4.56 1.91 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 1.33 0.67 0.93 0.00 0.00 136 K 9.27 4.24 0.00 1.80 1.83 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.37 7.81 137 Q 8.64 4.83 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.45 0.00 0.00 0.00 0.00 0.00 1.19 1.99 0.00 138 E 8.64 4.60 0.00 1.72 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 2.19 2.16 0.00 139 F 8.72 5.02 0.00 2.98 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 0.00 140 G 8.01 4.03 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 0.00 0.00 0.00 141 I 7.40 4.68 1.96 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 1.53 0.94 0.96 0.00 0.00 142 P 0.00 4.56 0.00 2.24 2.10 0.00 3.82 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 2.01 1.98 0.00 143 Y 8.60 4.06 0.00 2.93 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 0.00 144 N 7.81 4.64 0.00 2.62 2.45 0.00 0.00 7.21 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 0.00 145 P 0.00 4.03 0.00 2.19 2.18 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 146 Q 7.91 3.90 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 147 S 8.93 3.99 0.00 3.81 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 0.00 148 Q 8.17 4.08 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 149 G 8.27 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 0.00 150 V 7.54 3.53 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 0.93 0.00 0.00 0.90 0.00 0.00 151 I 7.39 3.72 1.84 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 1.71 1.32 0.92 0.00 0.00 152 E 8.47 3.96 0.00 2.19 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 2.60 2.52 0.00 153 S 8.33 4.06 0.00 4.08 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 0.00 154 M 7.93 3.97 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 155 N 8.50 4.38 0.00 2.90 2.86 0.00 0.00 7.06 7.17 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 0.00 156 K 8.13 4.02 0.00 2.03 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 157 E 8.39 3.91 0.00 2.18 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 2.33 2.38 0.00 158 L 8.39 3.91 0.00 1.80 1.82 0.93 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 0.00 159 K 8.13 4.01 0.00 2.05 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.63 7.81 160 K 7.87 3.95 0.00 1.85 2.04 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 161 I 7.74 3.88 2.02 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 1.55 0.84 1.00 0.00 0.00 162 I 8.23 3.82 2.02 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 1.48 0.68 0.93 0.00 0.00 163 G 8.02 3.65 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 0.00 164 Q 7.92 4.19 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 165 V 7.54 4.23 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 0.88 0.00 0.00 1.05 0.00 0.00 166 R 7.90 3.87 0.00 2.15 1.95 0.00 3.14 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 167 D 8.02 4.66 0.00 2.82 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 0.00 168 Q 8.29 4.34 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 169 A 7.40 4.73 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.97 3.97 0.00 1.85 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 2.12 1.95 0.00 171 H 7.77 4.91 0.00 3.31 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.69 4.00 0.00 1.93 1.70 0.94 0.61 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 0.00 173 K 8.14 4.13 0.00 2.05 2.09 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.57 7.81 174 T 7.92 3.99 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 1.22 0.00 0.00 175 A 7.98 3.99 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 0.00 176 V 8.33 3.55 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 1.16 0.00 0.00 1.03 0.00 0.00 177 Q 7.81 4.07 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 178 M 8.41 4.05 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.50 0.00 179 A 8.26 4.08 1.42 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 0.00 0.00 180 V 8.25 3.54 2.30 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 1.12 0.00 0.00 1.02 0.00 0.00 181 F 8.44 4.04 0.00 3.28 3.30 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 0.00 182 I 8.17 3.81 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.07 0.97 0.00 0.00 183 H 8.27 4.11 0.00 3.19 3.47 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.53 4.42 0.00 2.75 2.89 0.00 0.00 7.08 7.68 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 0.00 185 K 7.70 4.17 0.00 1.46 1.64 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.39 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.86 0.21 7.81 186 K 7.17 4.01 0.00 2.00 1.63 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 187 R 8.42 4.17 0.00 1.83 1.85 0.00 3.44 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 *195 S 8.66 4.67 0.00 4.17 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 0.00 196 A 8.39 4.08 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 0.00 197 G 8.37 3.76 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 0.00 0.00 0.00 198 E 8.15 3.94 0.00 2.19 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 2.33 2.34 0.00 199 R 8.01 3.90 0.00 1.97 1.92 0.00 3.09 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 200 I 7.71 3.41 1.36 0.00 0.00 -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 0.73 0.50 0.20 0.00 0.00 201 V 7.30 3.80 2.14 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 0.88 0.00 0.00 1.03 0.00 0.00 202 D 8.21 4.37 0.00 2.86 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 0.00 203 I 8.24 3.70 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.49 0.88 0.00 0.00 204 I 8.18 3.74 1.97 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 1.65 1.13 1.01 0.00 0.00 205 A 8.26 3.99 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 0.00 206 T 7.50 3.96 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 1.22 0.00 0.00 207 D 7.89 4.45 0.00 2.85 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 0.00 208 I 7.87 3.99 2.07 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 1.40 0.79 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.