NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7581 8.2493 122.4644 51.9100 20.1420 175.6758 3 E 4.7077 9.3437 117.9368 52.8627 33.0180 172.9707 4 T 5.1176 8.8456 112.9886 60.0384 71.3780 174.3660 5 A 4.8311 8.7235 127.8309 49.5339 20.8635 175.0407 6 P 4.4393 0.0000 0.0000 61.6442 32.6873 175.1936 7 L 4.5701 8.2554 122.3552 55.4311 42.7216 176.0592 8 R 4.5501 9.0313 126.2477 54.4840 33.5051 173.6695 9 V 4.6520 8.5180 125.9114 61.3536 33.6776 174.3218 10 Q 4.7718 9.0337 127.9948 53.7526 31.4367 174.8888 11 L 4.5517 8.4634 127.4296 55.2042 42.0841 176.3920 12 I 4.5540 8.5089 119.2913 60.7867 39.1844 175.3864 13 A 4.7161 7.6056 123.0286 51.2469 22.3338 175.1370 14 K 5.1664 8.1831 118.5511 56.1067 35.7722 175.4338 15 T 4.0484 8.5200 117.2755 63.7477 69.5083 173.1215 16 D 5.0598 8.7434 126.3065 52.8679 42.4112 174.8807 17 F 4.9164 8.8851 128.6335 56.6393 41.0963 175.1635 18 L 4.1613 7.6366 125.4523 51.9683 42.3893 175.5852 19 A 3.3932 7.6419 126.4092 51.0557 19.1804 175.4193 20 P 4.2620 0.0000 0.0000 61.7122 32.0068 175.6530 21 P 4.2102 0.0000 0.0000 65.6241 31.3557 177.1637 22 D 4.4282 7.8893 115.2725 55.3132 41.1162 176.0617 23 V 3.6935 7.2475 120.1914 60.6725 32.4890 175.4079 24 P 4.6873 0.0000 0.0000 61.5102 29.3200 175.7836 25 W 5.1656 7.3690 126.3709 57.1989 34.1171 172.9833 26 T 3.7908 7.4867 113.3083 59.9348 71.4250 172.3389 27 T 4.4998 7.0793 115.1630 60.4298 70.6240 172.0821 28 D 4.7240 8.4196 121.3068 52.9354 40.0368 175.7553 29 A 4.6228 7.5387 120.1065 52.4397 22.3492 174.8265 30 D 5.0116 8.0535 117.8351 53.1279 45.3344 175.1109 31 G 4.2095 8.7694 106.9134 45.5922 0.0000 174.1039 32 G 3.9299 8.9349 106.0927 47.0587 0.0000 173.4106 33 P 4.4430 0.0000 0.0000 65.3016 31.3138 178.5762 34 A 4.0883 7.7633 118.0529 54.9035 18.2740 179.3815 35 L 3.1274 7.4291 118.8613 57.9450 42.1475 179.3851 36 V 3.6396 7.9911 118.2798 65.9951 31.3897 177.4362 37 E 4.1207 8.1782 118.8590 59.4580 29.4713 178.4410 38 F 3.3310 8.2241 120.3385 61.1409 38.8612 176.9949 39 A 4.0274 8.3620 120.4872 54.9725 17.9533 179.8466 40 G 3.7333 8.0035 103.3983 48.1569 0.0000 175.9108 41 R 3.8140 8.1428 121.6648 57.9751 29.5482 178.9069 42 A 3.4592 7.4185 120.5640 54.9897 18.0092 179.3682 43 C 3.8766 7.2835 113.8273 62.0429 28.1202 174.1518 44 Y 4.4768 7.0194 113.8347 56.5128 39.2577 174.9515 45 Q 2.5200 6.7730 116.9361 56.6019 27.3515 175.5842 46 S 4.3451 6.6641 112.0365 56.8111 61.9742 174.8490 47 W 4.6698 7.5496 125.0605 59.4860 29.8740 177.3220 48 S 4.9225 7.9922 111.2539 56.5956 64.3899 173.2658 49 K 4.6772 8.1803 121.0204 54.0798 34.3712 174.6220 50 P 4.2284 0.0000 0.0000 66.4308 30.9566 175.0796 51 N 4.4728 7.5609 120.3059 53.5079 36.6942 173.7426 52 P 4.4928 0.0000 0.0000 61.7947 29.8094 176.2892 *56 T 4.2039 7.4189 111.6323 61.0334 71.6404 174.4023 57 N 4.7855 9.6122 121.7285 56.5549 38.9962 177.1539 58 A 4.1919 8.1643 121.7172 54.9779 18.4917 179.7503 59 G 3.5521 8.5356 104.7770 48.0851 0.0000 175.3557 60 Y 4.0252 8.3524 122.2913 60.3765 38.5883 178.2307 61 L 4.0452 8.1777 121.3614 58.3736 41.8240 179.8239 62 R 4.0495 7.6995 119.4838 61.7291 29.6099 179.5423 63 H 4.3498 8.0127 119.2016 59.1716 29.8243 177.8789 64 I 3.1867 7.2099 117.5799 62.4274 36.5943 177.4409 *66 D 4.4949 8.0579 121.3632 53.9025 42.4723 176.6808 67 V 3.7747 7.4431 116.4111 60.8958 31.8743 176.4984 68 G 3.2817 7.4620 108.0448 47.4050 0.0000 174.7940 69 H 4.5944 7.2478 115.8175 54.9200 26.3951 176.6710 70 F 4.3968 7.6121 121.2253 60.3288 39.4056 177.4616 71 S 4.3745 8.2286 113.7543 60.9692 62.1636 176.5870 72 V 3.8041 7.7097 122.8253 64.4065 30.6823 178.0182 73 L 4.3266 8.1654 119.4624 56.9483 41.2733 178.4304 74 E 4.0015 7.8097 117.1247 58.5113 29.4275 178.1007 75 H 4.3712 7.7266 114.9491 56.7883 29.5218 175.0655 76 A 4.6790 6.9183 122.4460 50.3461 20.8534 176.4809 77 S 5.1811 8.7401 114.7670 56.7014 67.5164 172.9714 78 V 4.7383 9.1671 119.2670 61.3595 35.1614 174.0799 79 S 5.4412 8.9583 122.5336 56.8193 66.1116 173.0425 80 F 5.4531 9.4442 122.5205 55.9247 42.4638 173.6223 81 Y 5.2579 9.3160 124.1484 56.4273 40.4382 174.1802 82 I 4.9121 8.8968 128.2679 59.6457 40.1799 174.9282 83 T 4.5769 8.4385 116.4588 59.6744 72.7699 173.5936 84 G 4.4607 8.8800 107.1066 46.5812 0.0000 173.4762 85 I 4.5386 6.9679 119.2070 58.2498 40.4356 175.1179 86 S 4.7491 8.9536 122.7737 58.0984 65.0572 175.6179 87 R 4.0162 8.8051 124.1144 58.8983 29.6711 179.6654 88 S 4.1380 7.8592 114.2140 61.6205 62.9961 176.1871 89 C 4.1542 8.2758 122.6072 62.3038 30.9091 175.6587 90 T 3.8696 8.0006 111.6112 64.7604 68.1214 176.0789 91 H 4.0237 8.0167 120.4950 59.1370 30.0005 176.7939 92 E 4.0709 7.9988 120.1625 59.1882 29.3517 178.9268 93 L 4.0717 7.9080 120.5698 58.1619 42.0189 178.6653 94 I 3.0610 7.2736 109.4170 61.9963 37.5469 177.5698 95 R 4.1059 7.4253 120.1159 57.8870 29.9721 176.2875 96 H 4.4686 7.6750 116.9534 55.5627 28.9815 175.5743 97 R 4.4130 8.5420 123.6403 56.2993 31.5019 175.8210 98 H 4.0595 8.5992 112.7960 56.5082 25.8827 174.6439 99 F 4.7310 7.8174 116.5026 55.5812 42.3743 174.5696 100 S 4.6431 8.5152 116.2495 56.9462 65.6636 173.0490 101 Y 5.4312 8.4999 120.4742 56.3869 41.7028 175.2638 102 S 4.6870 9.3199 118.1107 57.0454 66.5189 172.7617 103 Q 5.0611 8.7099 125.8526 53.5098 31.5290 174.7273 104 L 3.8842 8.7468 127.4568 55.5246 42.7898 177.0042 105 S 4.1702 9.0266 122.9854 59.1063 62.8942 175.4486 106 Q 4.1004 9.0240 128.0252 58.8549 28.1628 177.1154 107 R 4.1404 8.0990 114.3644 59.7838 29.5370 180.4752 108 Y 4.0057 7.4508 117.9495 57.5172 38.8967 175.8109 109 V 4.1015 7.5220 126.1364 59.7245 33.8575 173.0931 110 P 4.0382 0.0000 0.0000 62.6106 31.5995 175.9401 111 E 4.0002 8.7569 124.2929 58.8208 29.9471 177.8499 112 K 4.1257 7.9992 116.6772 59.3023 33.2621 175.8054 113 D 4.4730 7.3213 115.1496 52.6488 44.0642 174.4758 114 S 4.2996 8.3787 118.3255 58.6920 64.1432 173.5472 115 R 5.0857 8.6145 122.6324 54.5978 32.5632 175.3817 116 V 4.9072 8.9646 116.8006 59.4580 36.2303 174.5595 117 V 4.5481 8.4811 122.9482 60.9821 33.1204 175.5874 118 V 3.7954 8.3875 128.2159 61.6293 32.1108 173.8233 119 P 4.3508 0.0000 0.0000 62.0716 31.8518 174.3565 120 P 4.5080 0.0000 0.0000 65.9408 31.2942 179.6104 121 G 3.7723 7.8671 105.6513 45.4279 0.0000 174.1121 *123 E 4.3327 8.2632 121.3549 55.5779 31.3716 176.5698 124 D 4.7190 8.0345 115.7296 52.9391 39.8352 176.3459 125 D 4.5387 7.6813 118.5153 52.0337 43.3626 174.8955 126 A 3.9948 8.6228 130.0439 55.3065 18.3524 178.5037 127 D 4.2267 8.1244 115.7966 57.4112 41.4850 178.1367 128 L 3.9906 7.8974 119.2021 58.0660 41.6843 179.6975 129 R 3.9284 8.0992 117.8344 59.5749 29.8982 178.6744 130 H 4.1672 8.2865 117.9257 59.3126 29.8389 177.2790 131 I 3.6315 7.8642 121.6549 64.2852 36.8241 178.2184 132 L 3.9228 7.8903 121.2688 58.4399 41.9986 179.1947 133 T 3.8960 7.9504 109.6760 64.4495 68.6900 176.6362 134 E 3.8343 8.3653 121.5816 59.2468 29.5547 178.7814 135 A 3.9525 8.1206 120.6861 55.3393 18.3725 179.5384 136 A 3.9419 8.2395 119.1929 55.4441 18.4648 179.6167 137 D 4.2825 8.3054 117.2342 57.4872 40.8963 178.9276 138 A 4.0294 8.2906 121.1649 54.9113 18.2873 179.6037 139 A 3.9602 8.1629 119.5312 55.2766 18.4618 179.8111 140 R 3.8628 8.0449 117.0770 59.3494 30.1534 178.5251 141 A 3.9861 8.0634 120.5303 55.6834 18.3788 179.5694 142 T 3.8275 7.9995 114.1441 66.9819 68.4275 175.9795 143 Y 4.0630 8.4161 121.6615 61.0388 38.8123 178.6176 144 S 3.9608 8.2621 115.9764 61.2247 62.8907 176.1584 145 E 3.8198 8.1823 122.0349 59.3920 29.4401 178.8976 146 L 3.8557 8.0614 119.2071 57.5388 41.5947 179.2963 147 L 3.6161 7.7361 120.0625 57.9795 42.0287 178.8011 148 A 3.8939 7.7003 120.5645 55.1992 18.2393 179.7398 149 K 3.8385 7.8498 116.8772 59.4646 32.0640 179.6337 150 L 3.4502 8.1239 119.5226 57.6879 41.2812 179.3572 151 E 3.8994 8.0727 117.3141 59.1920 29.6509 179.0431 152 A 4.1631 8.0689 123.1280 55.9050 18.3201 180.5328 153 K 3.9801 7.9145 120.7608 59.4072 31.9438 180.0666 154 F 5.1919 8.0647 115.2132 57.8474 38.8451 177.3370 155 A 4.0863 7.8857 122.2438 54.8684 18.2269 178.3209 156 D 4.6192 8.0367 116.2579 55.1342 41.7897 177.5191 157 Q 4.2507 7.8175 118.6824 53.6340 28.7841 179.7738 158 P 4.3599 0.0000 0.0000 63.5388 32.3250 173.8256 159 N 4.0351 8.6832 120.8723 54.0265 36.2695 174.2643 160 A 4.1093 8.0029 125.1737 54.2642 18.7842 179.1833 161 I 3.6867 7.8557 120.7009 65.2088 37.2416 178.8477 162 L 4.0870 7.9056 125.2096 60.3666 40.6156 182.0841 163 R 4.0742 8.0705 121.6627 61.0337 29.3023 180.7778 164 R 4.1372 8.0959 119.0368 59.3885 30.0470 178.8319 165 K 4.0875 8.0810 120.2589 60.3265 32.0814 180.0714 166 Q 4.0771 8.4522 120.8523 59.9716 27.9903 180.2214 167 A 4.2410 8.5437 122.4276 55.3347 18.3667 179.9211 168 R 3.9271 8.1300 116.5937 59.4882 29.9307 179.1353 169 Q 4.0107 8.2251 118.1318 59.1398 29.5085 177.8527 170 A 4.1567 8.1586 121.6590 55.1542 17.9632 179.4897 171 A 4.0055 8.2494 121.7945 55.7916 18.1951 180.1113 172 R 4.3656 7.9733 116.4363 59.5891 29.6217 180.5606 173 A 4.5223 7.5592 119.2991 55.2267 18.7696 177.9633 174 V 3.8454 7.2077 109.8196 59.4393 30.7542 173.6930 *176 P 4.2299 0.0000 0.0000 61.8675 32.5092 177.5861 177 N 4.1769 8.7431 115.8611 56.8363 38.6326 176.6681 178 A 4.2665 7.8973 117.6924 53.2373 19.9249 177.6806 179 T 4.2177 7.8012 112.8869 64.0346 69.5832 173.3307 180 E 4.5015 8.9176 127.4997 56.7077 30.3270 175.4857 181 T 4.8081 9.0594 120.1624 60.4520 71.9768 172.2003 182 R 4.9915 8.1408 120.5905 54.6658 34.9547 174.3673 183 I 4.9730 8.5290 121.0451 59.9776 42.2624 173.3788 184 V 4.8607 9.2817 129.9452 61.9261 32.9724 174.5254 185 V 4.9475 9.0390 128.2252 61.4688 34.2543 174.2218 186 T 5.3165 8.9217 124.1122 61.9265 71.9264 173.2972 187 G 3.8413 9.0395 111.8418 44.4959 0.0000 172.1293 188 N 5.2864 8.2131 118.4736 51.7085 38.8601 175.7113 189 Y 4.9218 8.5441 116.7124 61.6457 37.6391 179.3039 190 R 4.0001 8.2792 118.9405 59.2981 30.3000 178.3260 191 A 3.8909 8.5348 120.9152 54.8096 18.1930 179.4857 192 W 4.9046 8.3154 117.5341 60.4001 29.1350 178.8610 193 R 4.3223 8.7169 117.9321 59.8436 29.3358 178.6768 194 H 4.3285 8.1730 116.8816 59.0141 29.9356 176.7211 195 F 4.3580 8.5383 121.8368 61.3666 39.5564 176.9175 196 I 3.5183 8.2490 119.1400 64.2044 36.6937 178.1309 197 A 4.0843 7.9028 118.2361 54.1638 19.0376 178.2792 *199 R 4.0881 7.9479 118.0355 56.4120 32.1813 176.1713 200 A 4.5563 8.1546 121.3171 52.1676 18.9972 176.8645 201 S 4.9978 7.5831 113.4358 57.5368 65.7191 174.5602 202 E 3.9882 8.8667 120.0489 60.0844 29.3011 178.8065 203 H 4.1777 7.8523 114.4438 58.4816 28.9461 176.3171 204 A 4.1443 7.5828 121.4888 51.4944 18.9616 177.5368 205 D 4.5796 8.4949 121.7982 53.3940 41.4464 178.2628 206 V 3.6270 8.2065 120.7529 64.7941 31.3987 178.1657 207 E 3.8599 8.1154 119.5182 59.2138 29.6331 178.5508 208 I 3.7558 8.3278 118.8146 63.6716 37.9916 177.6870 209 R 4.2970 7.9710 121.1774 58.8917 30.0358 178.2504 210 R 3.8294 8.3305 118.7853 59.4568 29.8792 178.2188 211 L 3.8908 7.6160 119.8277 58.1314 42.1738 178.8151 212 A 4.0174 8.0670 120.7773 55.1661 18.2032 179.6645 213 I 3.5567 7.7899 118.4236 64.3972 36.9823 178.3255 214 E 3.8403 7.8841 119.7615 59.2180 29.4338 178.4863 215 C 3.3279 8.0491 117.0905 62.3707 28.1146 175.7028 216 L 3.5180 7.6718 121.7464 58.0426 41.5092 178.7137 217 R 3.7797 7.6774 118.4603 59.9423 29.9974 178.4606 218 Q 4.0180 7.6821 117.3849 58.6210 28.6367 178.5949 219 L 3.6693 8.0624 120.3720 57.6006 41.0268 179.2712 220 A 4.0637 8.3022 120.7410 55.0063 17.9920 179.5972 221 A 3.9503 7.5029 118.1477 55.6448 18.6415 180.1110 222 V 3.9292 7.4803 108.7185 63.0961 32.6889 176.8406 223 A 4.7333 8.3840 121.5610 49.2163 19.2313 174.1779 224 P 4.4759 0.0000 0.0000 64.5045 32.1173 179.1130 225 A 4.0439 8.0687 119.4575 55.1078 18.5654 178.7965 226 V 3.5513 7.8509 114.4246 65.2329 31.7011 176.4750 227 F 4.9326 7.8744 115.3894 56.9802 39.5808 177.1663 228 A 4.1279 7.9875 125.4334 55.2265 17.9352 179.0700 229 D 4.4579 8.0899 114.1110 55.1454 39.7486 175.5730 230 F 4.8311 7.9153 120.1007 56.9554 39.9750 174.5762 231 E 4.6956 9.4362 125.2878 54.3370 32.0183 174.6118 232 V 4.7201 8.5117 127.4475 62.2959 32.5198 174.9693 233 T 4.8633 8.8426 118.1967 60.0038 71.9943 172.8915 234 T 4.8298 8.4046 113.8284 60.6226 70.6444 174.6366 235 L 4.3732 9.5021 125.7928 53.4611 42.8849 177.8066 236 A 4.2996 8.4492 122.7927 55.0905 18.2710 178.3880 237 D 4.4453 8.0078 113.2248 54.0769 39.9101 177.2704 238 G 3.8933 8.7123 109.1161 45.4584 0.0000 172.9313 239 T 4.6059 7.8753 114.1227 60.3302 69.7349 173.2230 240 E 4.7902 8.5954 126.0007 55.1816 31.6536 175.4951 241 V 4.6868 8.8406 121.3899 61.1094 35.7058 173.8259 242 A 5.4888 9.2106 127.5581 50.3635 21.2905 175.7400 243 T 4.8542 8.8923 112.0520 59.9194 72.5773 172.9493 244 S 4.9689 8.2220 116.5096 54.7034 65.0990 172.2641 245 P 4.3683 0.0000 0.0000 63.9185 31.3709 176.4279 246 L 4.2426 7.3721 123.5668 54.7833 41.6246 176.2616 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 A 8.25 4.76 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 3 E 9.34 4.71 0.00 2.01 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 2.37 2.33 0.00 4 T 8.85 5.12 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 1.21 0.00 0.00 5 A 8.72 4.83 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 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.44 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 7 L 8.26 4.57 0.00 1.62 1.58 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.03 4.55 0.00 1.83 1.63 0.00 3.08 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 9 V 8.52 4.65 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 0.42 0.00 0.00 0.78 0.00 0.00 10 Q 9.03 4.77 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 11 L 8.46 4.55 0.00 1.82 1.60 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.51 4.55 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 1.03 0.00 0.00 13 A 7.61 4.72 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 0.00 0.00 0.00 0.00 0.00 14 K 8.18 5.17 0.00 1.76 1.75 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.34 7.81 15 T 8.52 4.05 4.35 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 1.27 0.00 0.00 16 D 8.74 5.06 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.89 4.92 0.00 3.13 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 18 L 7.64 4.16 0.00 1.34 1.34 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.64 3.39 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 20 P 0.00 4.26 0.00 2.13 2.06 0.00 3.51 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.67 0.00 21 P 0.00 4.21 0.00 2.01 2.11 0.00 3.59 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 1.96 2.04 0.00 22 D 7.89 4.43 0.00 2.60 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 23 V 7.25 3.69 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 -0.79 0.00 0.00 0.64 0.00 0.00 24 P 0.00 4.69 0.00 2.33 2.13 0.00 3.41 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 25 W 7.37 5.17 0.00 3.46 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 26 T 7.49 3.79 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 1.06 0.00 0.00 27 T 7.08 4.50 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 *56 T 7.42 4.20 4.42 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 1.24 0.00 0.00 57 N 9.61 4.79 0.00 2.91 2.96 0.00 0.00 7.00 7.62 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 58 A 8.16 4.19 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 59 G 8.54 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 60 Y 8.35 4.03 0.00 3.19 3.11 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 61 L 8.18 4.05 0.00 1.72 1.76 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.70 4.05 0.00 1.93 1.86 0.00 3.29 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 63 H 8.01 4.35 0.00 3.08 3.28 0.00 5.76 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 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6.89 6.83 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 107 R 8.10 4.14 0.00 1.86 1.87 0.00 3.28 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 108 Y 7.45 4.01 0.00 2.96 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 0.00 109 V 7.52 4.10 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 0.50 0.00 0.00 0.65 0.00 0.00 110 P 0.00 4.04 0.00 2.36 2.17 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 111 E 8.76 4.00 0.00 1.87 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 2.28 2.35 0.00 112 K 8.00 4.13 0.00 1.91 1.92 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.43 7.81 113 D 7.32 4.47 0.00 2.58 2.53 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 0.00 114 S 8.38 4.30 0.00 3.80 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.95 3.90 4.22 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 1.23 0.00 0.00 134 E 8.37 3.83 0.00 2.07 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 2.17 2.18 0.00 135 A 8.12 3.95 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 0.00 136 A 8.24 3.94 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 0.00 137 D 8.31 4.28 0.00 2.85 2.72 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 0.00 138 A 8.29 4.03 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 0.00 139 A 8.16 3.96 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 0.00 140 R 8.04 3.86 0.00 1.89 2.09 0.00 3.07 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 141 A 8.06 3.99 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 0.00 142 T 8.00 3.83 4.41 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 1.22 0.00 0.00 143 Y 8.42 4.06 0.00 3.04 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 0.00 144 S 8.26 3.96 0.00 4.07 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 0.00 145 E 8.18 3.82 0.00 2.02 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 2.26 2.32 0.00 146 L 8.06 3.86 0.00 1.70 1.56 0.91 0.41 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 0.00 147 L 7.74 3.62 0.00 1.16 1.48 0.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.70 3.89 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 0.00 149 K 7.85 3.84 0.00 1.92 1.76 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.51 7.81 150 L 8.12 3.45 0.00 1.55 1.09 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.07 3.90 0.00 1.98 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 2.34 2.43 0.00 152 A 8.07 4.16 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 0.00 153 K 7.91 3.98 0.00 1.85 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.36 7.81 154 F 8.06 5.19 0.00 3.00 2.94 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 0.00 155 A 7.89 4.09 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 0.00 156 D 8.04 4.62 0.00 2.70 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 0.00 157 Q 7.82 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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 0.00 201 S 7.58 5.00 0.00 3.99 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 0.00 202 E 8.87 3.99 0.00 2.03 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 0.00 2.33 2.37 0.00 203 H 7.85 4.18 0.00 3.10 3.39 0.00 5.85 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 0.00 204 A 7.58 4.14 1.24 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 0.00 0.00 205 D 8.49 4.58 0.00 2.95 2.81 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 0.00 0.00 0.00 0.00 206 V 8.21 3.63 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 0.92 0.00 0.00 0.91 0.00 0.00 207 E 8.12 3.86 0.00 2.04 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 2.36 2.35 0.00 208 I 8.33 3.76 1.89 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 1.45 1.31 1.07 0.00 0.00 209 R 7.97 4.30 0.00 2.06 2.05 0.00 3.18 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 210 R 8.33 3.83 0.00 1.94 2.09 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 211 L 7.62 3.89 0.00 1.76 1.88 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 212 A 8.07 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 I 7.79 3.56 1.93 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 1.56 0.77 0.87 0.00 0.00 214 E 7.88 3.84 0.00 2.01 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 2.18 2.18 0.00 215 C 8.05 3.33 0.00 2.87 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 0.00 0.00 0.00 216 L 7.67 3.52 0.00 1.57 1.76 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 217 R 7.68 3.78 0.00 1.96 1.99 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 218 Q 7.68 4.02 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 219 L 8.06 3.67 0.00 0.83 0.13 0.18 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 220 A 8.30 4.06 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 0.00 221 A 7.50 3.95 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 0.00 222 V 7.48 3.93 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 0.78 0.00 0.00 1.03 0.00 0.00 223 A 8.38 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 0.00 224 P 0.00 4.48 0.00 2.24 2.17 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 225 A 8.07 4.04 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 0.00 226 V 7.85 3.55 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.88 0.00 0.00 227 F 7.87 4.93 0.00 3.15 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 0.00 228 A 7.99 4.13 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 0.00 229 D 8.09 4.46 0.00 2.75 2.88 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 0.00 230 F 7.92 4.83 0.00 3.18 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 0.00 231 E 9.44 4.70 0.00 2.05 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 0.00 2.22 2.29 0.00 232 V 8.51 4.72 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 0.90 0.00 0.00 0.94 0.00 0.00 233 T 8.84 4.86 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 0.00 234 T 8.40 4.83 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 1.21 0.00 0.00 235 L 9.50 4.37 0.00 1.91 1.59 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.45 4.30 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 0.00 237 D 8.01 4.45 0.00 2.77 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 0.00 238 G 8.71 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 0.00 0.00 0.00 0.00 239 T 7.88 4.61 4.30 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 1.28 0.00 0.00 240 E 8.60 4.79 0.00 1.86 1.83 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 2.23 2.27 0.00 241 V 8.84 4.69 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 1.03 0.00 0.00 0.94 0.00 0.00 242 A 9.21 5.49 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 0.00 243 T 8.89 4.85 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 1.24 0.00 0.00 244 S 8.22 4.97 0.00 2.72 2.98 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 0.00 245 P 0.00 4.37 0.00 2.03 2.05 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 246 L 7.37 4.24 0.00 1.47 1.50 0.84 0.72 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 * Residues marked with a * may have inaccurate shift predictions.