NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2240 8.2493 123.5755 52.2291 19.6716 175.8544 4 T 4.8114 8.0211 112.7971 59.5614 71.9788 172.2780 5 F 4.7561 10.3746 123.0104 56.0420 43.3308 175.4309 6 T 5.1859 8.4267 115.5592 61.9424 72.7237 173.5692 7 A 4.7009 9.4419 124.8254 50.8309 22.4310 175.1120 8 N 5.1949 8.3549 119.6375 51.6580 41.1136 173.7116 9 F 5.0349 9.3865 122.3637 55.4472 43.3630 174.8977 10 K 4.6199 8.5420 120.7526 54.5737 34.8960 176.2588 11 D 4.3384 8.5905 128.9889 55.3658 39.2284 174.8033 12 T 4.3748 8.0171 115.4688 62.2529 70.1848 174.8499 13 D 4.7111 8.7440 124.9993 54.6509 42.4387 176.6964 14 L 3.9477 8.8519 128.9308 58.4270 41.9654 179.3305 15 K 3.8987 8.0049 117.5341 59.7817 32.0892 179.0817 16 S 4.1228 8.1343 114.6950 61.5970 62.6644 176.4369 17 F 3.8991 8.1610 123.0988 61.4018 39.1055 177.2539 18 I 3.6132 7.8552 119.2493 64.3878 36.8920 178.2870 19 E 3.9000 8.3249 119.5157 59.6209 29.2649 179.6018 20 T 3.8388 7.9233 115.6986 66.7453 68.6126 176.9797 21 V 3.6249 7.6303 120.4186 65.6808 31.2577 178.3212 22 G 3.3283 7.9019 105.3851 47.6202 0.0000 175.5845 23 A 3.9671 7.8766 123.4225 54.9574 18.1524 179.5188 24 N 4.5081 8.0447 114.1424 55.9168 38.7520 176.7215 25 L 4.2473 7.6613 117.4787 53.5924 42.4397 176.0500 26 N 4.1892 7.6636 114.0269 54.5410 36.5006 173.9984 27 K 4.6423 7.9050 116.0121 54.7492 35.0255 177.0904 28 T 4.2315 8.3413 120.2234 63.4361 69.9259 173.6269 29 I 4.9218 8.2569 125.4009 59.5701 39.9580 174.8376 30 I 4.4824 8.5539 127.3516 60.0340 39.9011 175.0773 31 M 4.3934 8.2683 127.0055 53.3877 34.7669 174.7392 *35 V 3.5201 8.1303 119.4577 63.6666 31.7387 175.1771 36 Q 4.4978 8.7725 127.3108 54.3765 32.2486 174.1395 37 G 4.1961 7.6682 109.8049 44.2477 0.0000 170.7771 38 A 5.2571 7.7559 121.0773 50.1855 22.5212 175.9452 39 V 4.3237 8.2641 117.6794 61.7551 35.2414 173.5834 40 S 5.0829 8.2020 122.7297 56.9227 66.4290 173.2474 41 I 4.4170 8.4212 120.5516 60.2205 42.2429 172.6255 42 R 5.1294 8.4703 129.2348 54.5743 32.8040 174.3412 43 T 4.4183 8.8012 117.9985 61.7280 68.7277 174.7702 44 M 4.4309 9.2149 128.3195 57.3849 32.5994 176.8219 45 T 4.9099 7.7283 106.7418 58.5691 72.2238 172.3310 46 P 4.6368 0.0000 0.0000 63.1351 32.2175 175.3741 47 L 5.1511 8.8241 122.0905 53.0718 45.0369 176.4177 48 N 5.1428 9.5695 120.7162 51.7108 39.1562 175.7254 49 E 3.8092 8.9598 117.7728 59.3704 29.4358 178.4289 50 R 4.0126 8.0683 118.2647 59.6188 30.1455 178.4482 51 Q 4.0239 8.5778 117.8345 58.9729 28.7662 177.7740 52 Y 4.2458 8.6070 120.9589 61.1148 38.8055 177.6577 53 Y 4.2814 8.3218 120.4649 60.8900 38.8668 177.8327 54 Q 3.8076 8.4344 120.6370 58.8177 28.9993 177.9694 55 L 3.8984 8.2184 121.7263 58.1405 42.2265 178.3498 56 F 4.3177 8.1264 120.5907 61.7594 39.1251 177.2384 57 L 3.6864 7.8245 118.0602 57.7674 41.4877 179.3271 58 N 4.2675 8.0049 116.3961 56.3589 38.3536 177.5455 59 L 4.0068 8.2158 120.6385 57.5184 41.6268 179.5271 60 L 4.0007 7.8118 119.1615 57.6742 41.6415 179.0715 61 E 4.2017 8.6587 120.6845 58.6954 29.3215 178.7327 62 A 3.9896 7.6306 119.4829 55.0652 18.5668 178.9300 63 Q 4.2315 7.6538 114.0481 56.4948 29.2396 176.8769 64 G 3.6941 8.0989 108.9395 45.2779 0.0000 172.3954 65 Y 5.3753 8.2756 115.9456 55.8370 42.1887 174.4867 66 A 4.7635 9.6892 122.7899 50.4975 23.3230 175.0403 67 V 4.7515 8.3258 118.4600 61.2078 34.1518 175.4131 68 V 4.4767 8.7661 126.9674 60.3214 33.7802 172.7624 69 P 5.0377 0.0000 0.0000 63.2562 32.2838 175.2872 70 M 4.8574 8.7028 121.1024 53.5803 37.0014 173.7624 71 E 3.5097 8.5492 119.2073 57.3676 29.9558 176.0163 72 N 3.9429 8.9331 125.7000 55.2704 37.0800 174.0613 73 D 4.3572 7.7043 120.3692 55.4899 38.9515 173.7538 74 V 4.8407 7.0935 117.8772 61.0331 36.2567 174.8076 75 L 5.1802 8.9422 126.6742 52.8848 44.9483 175.3501 76 K 4.7682 8.8988 126.8364 55.3632 33.5124 175.5652 77 V 4.6410 8.7404 129.2218 62.2696 32.3148 175.3995 78 V 4.7158 9.1073 126.6032 59.5523 35.4070 174.5055 79 K 4.1115 8.8269 122.4562 58.5389 32.6291 174.6685 80 S 4.0456 8.9188 119.9224 58.9739 63.1091 174.9278 *100 G 4.0727 9.0884 106.2727 46.2356 0.0000 175.3772 101 D 4.7243 8.1986 117.1845 54.5019 41.7889 176.1427 102 E 4.0355 7.9627 122.0543 56.5387 31.0548 175.5548 103 M 4.7824 8.7205 126.9239 55.5570 33.2049 175.7601 104 V 5.0611 9.1919 116.7527 59.8874 36.7360 174.4033 105 T 5.2324 8.5759 116.0746 60.6531 71.2168 172.4838 106 K 4.8580 8.8518 125.7152 55.1797 36.3635 174.5769 107 V 4.6944 8.4039 126.6540 61.2524 33.5111 175.0204 108 V 4.3246 8.8967 129.9719 60.5036 32.4914 173.3964 109 P 4.7552 0.0000 0.0000 62.8042 32.3208 175.8265 110 V 4.3575 7.9787 120.2598 61.4962 33.1878 175.0656 111 R 4.4073 9.4370 127.5929 56.8865 31.1933 176.2011 112 N 4.9763 8.7774 112.2457 52.7561 40.1338 174.3319 113 V 4.4865 7.2808 116.4633 60.8402 35.1236 173.9646 114 S 4.3334 8.5090 119.9174 58.0158 63.3028 175.6194 115 V 3.8160 8.5504 121.2274 64.5664 31.1853 178.7691 116 R 3.9318 7.9470 116.4237 58.1042 29.7472 178.4335 117 E 3.9952 7.8815 117.9908 59.0817 29.6522 178.6169 118 L 4.2160 8.0624 118.0281 56.4983 41.6577 178.7925 119 A 4.7005 7.4302 123.0239 54.2519 18.2384 177.5947 120 P 4.2133 0.0000 0.0000 65.9471 31.4237 178.8586 121 I 3.8867 7.7364 111.0499 63.7432 37.8869 178.0340 122 L 4.0291 8.3050 121.1288 57.6268 41.2490 179.6235 123 R 3.9680 8.4802 118.6108 59.1482 29.6734 178.7249 124 Q 3.9520 8.0795 119.4145 59.4489 28.9295 177.9864 125 M 3.9002 8.1785 119.1352 58.9832 31.8428 178.2997 126 I 3.8172 7.7337 119.0736 64.0313 37.0492 177.8833 127 D 4.2046 7.7599 118.8166 56.5846 40.6705 178.1147 128 S 4.3816 7.4638 114.6530 60.6908 63.2090 175.7449 129 A 4.1192 7.3762 123.2355 54.0667 18.4209 177.9630 130 G 3.7246 7.7313 102.4762 44.4272 0.0000 172.7377 131 S 4.4015 8.1692 113.2296 58.3574 64.3201 174.3548 132 G 3.8933 8.7531 107.3576 45.5613 0.0000 172.6918 133 N 5.2591 7.7886 115.9414 51.3341 41.0794 174.4968 134 V 4.4058 8.8989 122.3352 61.3231 35.3303 173.7061 135 V 4.5711 8.4789 127.5495 61.3421 33.1029 174.3375 136 N 5.1418 9.1016 125.2463 51.6252 42.0542 172.8923 137 Y 4.9149 8.6915 119.6726 56.2827 41.0167 173.9186 138 D 5.2261 8.7414 123.5685 51.9465 43.0784 175.6820 139 P 4.3703 0.0000 0.0000 65.0700 31.5464 177.3991 140 S 4.2598 8.5859 111.6278 58.3933 63.0437 173.0005 141 N 4.2352 8.3972 118.5938 55.0949 37.0607 173.5798 142 V 4.6813 7.2787 110.1595 59.7182 36.7051 176.1059 143 I 4.6420 8.3638 124.8593 60.2739 39.2109 174.2559 144 M 4.9870 9.0138 126.5835 53.7686 34.8109 174.2694 145 L 5.1713 9.0941 125.7097 53.2251 44.9763 175.4175 146 T 4.9481 9.6749 120.4264 61.0080 71.7148 174.2664 147 G 3.6627 7.9675 113.4258 45.3880 0.0000 171.4430 148 R 4.4615 7.7924 119.2006 55.7800 31.9572 177.2162 149 A 4.0037 8.6194 125.3410 55.4552 18.4510 180.5002 150 S 4.0260 8.0480 112.4992 61.7728 63.0838 176.9741 151 V 3.5757 7.7141 121.8879 65.4390 31.3099 177.9863 152 V 3.5984 8.1706 118.4439 65.7023 31.3153 177.5502 153 E 3.9035 8.6750 119.5524 59.3929 29.3962 179.0724 154 R 4.0855 7.8736 117.7515 59.4404 30.1866 179.1318 155 L 4.0462 8.0120 118.5993 57.8836 41.4344 179.9249 156 T 3.8484 7.8841 115.8601 66.6200 68.5629 176.3690 157 E 3.9126 8.2009 120.6713 59.7496 29.5199 180.0109 158 V 3.5826 7.6033 117.3912 65.9488 31.5969 177.7923 159 I 3.7007 7.6032 119.5159 64.8820 36.9540 178.2929 160 Q 3.9981 8.2917 118.5819 58.9369 28.5350 179.1884 161 R 3.8642 7.9305 119.4452 59.5519 29.9968 178.8224 162 V 3.6351 7.7115 116.6817 65.7921 31.7924 177.2072 163 D 4.4459 8.4149 118.1717 57.7852 41.1139 177.7046 164 H 4.0869 8.6426 118.7997 59.2844 29.5910 176.9953 165 A 4.2373 8.1128 121.7034 54.3145 18.2454 178.7761 166 G 3.9622 7.6353 102.2915 44.8579 0.0000 173.3795 167 N 5.0245 7.5750 118.5022 52.7879 39.6311 174.6669 168 R 4.0459 8.0562 114.9849 55.8674 31.0646 176.6033 169 T 4.2175 8.3379 111.8764 61.7959 70.1951 173.3782 170 E 5.1028 8.5412 123.3311 55.2325 32.6904 175.0278 171 E 4.6105 8.4522 120.8772 55.3788 33.6289 174.0753 172 V 4.4797 8.4559 127.2691 62.1911 33.0949 175.1088 173 I 4.6230 8.7631 128.3122 58.7229 40.0115 173.2371 174 P 4.7279 0.0000 0.0000 62.5634 32.4362 175.5683 175 L 4.7896 7.8907 121.6193 53.2631 43.0971 176.7319 176 D 4.4988 9.5473 124.9515 56.6682 41.1500 176.1544 177 N 4.7414 8.1030 111.8728 54.6392 40.9004 174.8552 178 A 4.1541 7.6190 119.2898 52.0542 19.4448 177.1884 179 S 4.6019 8.3701 113.5306 57.3846 64.1547 175.0361 180 A 4.0283 9.0301 131.6743 55.3437 18.2435 180.0743 181 S 4.1707 8.0212 112.1979 61.2268 63.1632 176.5613 182 E 3.9276 8.0593 121.9537 59.5736 29.2749 179.1143 183 I 3.8289 7.7001 119.2288 64.0322 37.0808 178.2822 184 A 3.9749 8.3727 122.1587 55.6267 18.1165 179.4767 185 R 3.8319 8.1151 116.3538 59.3417 29.9331 179.1073 186 V 3.4921 8.1631 118.3020 66.4010 31.9544 177.8244 187 L 4.2785 7.7603 117.6865 56.9261 41.6131 178.6368 188 E 4.1168 8.1463 118.5039 58.8242 29.6254 178.3684 189 S 4.2764 8.9849 113.9368 59.8110 63.1048 174.0443 190 L 4.9633 7.1901 119.7583 53.4930 42.8926 175.5737 191 T 4.1122 7.1145 121.1023 61.6235 71.6439 173.9718 *205 Q 4.2627 8.5951 117.2989 55.6712 30.2439 173.3956 206 I 5.0600 8.2327 121.2259 59.8894 41.5075 174.8922 207 V 4.5650 8.4658 123.5681 61.3618 35.2230 173.8763 208 A 4.8145 8.6044 128.0910 51.2875 20.4682 176.6408 209 D 4.6744 8.9970 120.5734 52.2713 42.2937 176.4197 210 E 3.9872 8.9223 126.3078 59.3117 29.9647 179.1693 211 R 3.9758 8.0876 118.1637 59.4197 30.1054 177.3029 212 T 4.2494 8.0242 103.9279 60.4471 69.7738 174.0559 213 N 4.0765 7.8374 119.5000 55.2081 37.1631 171.5057 214 S 4.9222 8.0128 115.5824 56.8062 68.6001 174.5724 215 V 4.7704 8.7223 120.3532 61.3128 34.6462 174.4122 216 I 4.8891 9.2326 129.4420 59.8298 38.8567 174.7056 217 V 4.8551 8.3535 127.8064 60.0630 33.8514 175.3047 218 S 4.8857 8.4685 117.1007 56.8531 65.5659 174.1092 219 G 3.9300 7.8404 110.7893 45.0284 0.0000 172.5709 220 D 4.7512 7.9500 119.4577 51.8191 42.3726 175.3378 221 P 4.1444 0.0000 0.0000 65.8187 31.4679 178.4788 222 A 3.9672 7.9606 118.7463 55.7834 18.5729 179.7853 223 T 3.9622 7.8870 114.0947 66.3627 68.3870 177.6112 224 R 3.9452 8.3115 120.5101 59.1422 30.1932 178.1546 225 D 4.5747 8.0038 118.7471 57.7070 40.9864 179.3326 226 K 3.8756 7.9201 117.9636 60.1363 32.1764 179.3931 227 M 4.1318 7.8815 118.1301 57.9289 31.8622 178.7602 228 R 3.8791 8.7342 120.0023 59.4847 30.3901 178.7663 229 R 3.8987 7.8970 117.6577 59.2106 29.8963 178.7687 230 L 3.9592 7.5407 118.3190 58.2667 42.2158 178.6804 231 I 3.8506 7.7988 119.6432 64.6004 36.8376 178.6401 232 R 3.9367 7.8910 117.5870 59.3368 29.9065 179.0729 233 R 4.1289 7.7610 116.6555 58.2318 30.4129 176.6180 234 L 4.5515 7.4929 118.4944 54.7450 42.1467 176.5009 235 D 4.3138 7.7995 123.3577 54.7466 41.9141 175.6921 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 3 A 8.25 4.22 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 4 T 8.02 4.81 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 1.20 0.00 0.00 5 F 10.37 4.76 0.00 2.60 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 0.00 0.00 0.00 6 T 8.43 5.19 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 1.22 0.00 0.00 7 A 9.44 4.70 1.62 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 8 N 8.35 5.19 0.00 2.40 2.62 0.00 0.00 6.95 7.45 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 9 F 9.39 5.03 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.54 4.62 0.00 1.61 1.73 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.48 7.81 11 D 8.59 4.34 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.02 4.37 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 1.28 0.00 0.00 13 D 8.74 4.71 0.00 2.80 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 14 L 8.85 3.95 0.00 1.79 1.64 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.00 3.90 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.50 7.81 16 S 8.13 4.12 0.00 4.03 3.99 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 17 F 8.16 3.90 0.00 2.74 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.86 3.61 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.75 0.99 0.00 0.00 19 E 8.32 3.90 0.00 2.12 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 2.30 2.54 0.00 20 T 7.92 3.84 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 1.46 0.00 0.00 21 V 7.63 3.62 1.14 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 -0.06 0.00 0.00 -0.10 0.00 0.00 22 G 7.90 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.88 3.97 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 24 N 8.04 4.51 0.00 3.08 3.08 0.00 0.00 7.03 7.92 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 25 L 7.66 4.25 0.00 1.43 1.43 0.48 0.58 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 26 N 7.66 4.19 0.00 2.87 2.87 0.00 0.00 6.76 7.49 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 27 K 7.90 4.64 0.00 1.40 1.56 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.27 1.19 7.81 28 T 8.34 4.23 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 1.19 0.00 0.00 29 I 8.26 4.92 1.83 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 1.25 0.78 0.92 0.00 0.00 30 I 8.55 4.48 1.88 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 1.22 0.74 0.91 0.00 0.00 31 M 8.27 4.39 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 *35 V 8.13 3.52 1.93 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 0.45 0.00 0.00 0.52 0.00 0.00 36 Q 8.77 4.50 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 37 G 7.67 4.20 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 0.00 38 A 7.76 5.26 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 39 V 8.26 4.32 1.72 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 0.09 0.00 0.00 0.62 0.00 0.00 40 S 8.20 5.08 0.00 3.72 3.71 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 41 I 8.42 4.42 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 50 R 8.07 4.01 0.00 2.00 2.14 0.00 3.29 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 51 Q 8.58 4.02 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 52 Y 8.61 4.25 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 53 Y 8.32 4.28 0.00 3.02 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 54 Q 8.43 3.81 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 55 L 8.22 3.90 0.00 1.86 1.94 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.13 4.32 0.00 2.89 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 57 L 7.82 3.69 0.00 1.72 1.53 0.44 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 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1.03 0.00 0.00 0.91 0.00 0.00 135 V 8.48 4.57 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 0.29 0.00 0.00 0.87 0.00 0.00 136 N 9.10 5.14 0.00 2.58 2.65 0.00 0.00 6.45 7.45 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 0.00 137 Y 8.69 4.91 0.00 2.84 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 0.00 138 D 8.74 5.23 0.00 2.80 2.62 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 0.00 139 P 0.00 4.37 0.00 2.11 2.13 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 140 S 8.59 4.26 0.00 3.99 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 0.00 141 N 8.40 4.24 0.00 3.04 2.95 0.00 0.00 6.91 7.23 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 0.00 142 V 7.28 4.68 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 0.85 0.00 0.00 0.96 0.00 0.00 143 I 8.36 4.64 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.68 0.00 0.00 144 M 9.01 4.99 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 145 L 9.09 5.17 0.00 1.53 1.50 0.90 0.47 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 0.00 146 T 9.67 4.95 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 0.00 147 G 7.97 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 0.00 0.00 0.00 148 R 7.79 4.46 0.00 1.89 2.06 0.00 3.31 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 1.81 1.63 0.00 149 A 8.62 4.00 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 0.00 150 S 8.05 4.03 0.00 4.08 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 0.00 151 V 7.71 3.58 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 152 V 8.17 3.60 2.21 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 0.93 0.00 0.00 1.00 0.00 0.00 153 E 8.68 3.90 0.00 2.11 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 2.31 2.40 0.00 154 R 7.87 4.09 0.00 2.06 1.96 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 155 L 8.01 4.05 0.00 1.82 1.70 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.88 3.85 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 1.25 0.00 0.00 157 E 8.20 3.91 0.00 2.20 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 2.34 2.48 0.00 158 V 7.60 3.58 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 1.05 0.00 0.00 0.98 0.00 0.00 159 I 7.60 3.70 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.92 0.00 0.00 160 Q 8.29 4.00 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 161 R 7.93 3.86 0.00 2.11 2.07 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 162 V 7.71 3.64 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 0.87 0.00 0.00 1.02 0.00 0.00 163 D 8.41 4.45 0.00 2.98 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 0.00 164 H 8.64 4.09 0.00 3.35 3.31 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.11 4.24 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 0.00 166 G 7.64 3.96 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 0.00 0.00 0.00 167 N 7.58 5.02 0.00 2.57 2.78 0.00 0.00 7.12 8.96 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 0.00 168 R 8.06 4.05 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 169 T 8.34 4.22 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 0.00 170 E 8.54 5.10 0.00 1.85 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 2.22 2.27 0.00 171 E 8.45 4.61 0.00 1.99 1.74 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 2.21 2.25 0.00 172 V 8.46 4.48 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 0.93 0.00 0.00 173 I 8.76 4.62 1.87 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 1.43 0.67 0.91 0.00 0.00 174 P 0.00 4.73 0.00 2.07 2.05 0.00 3.71 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 1.98 1.99 0.00 175 L 7.89 4.79 0.00 1.48 1.60 0.97 1.09 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 0.00 176 D 9.55 4.50 0.00 2.75 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 0.00 177 N 8.10 4.74 0.00 2.64 2.80 0.00 0.00 6.85 7.35 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 0.00 178 A 7.62 4.15 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 0.00 179 S 8.37 4.60 0.00 3.90 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 0.00 180 A 9.03 4.03 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 0.00 181 S 8.02 4.17 0.00 4.06 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 0.00 182 E 8.06 3.93 0.00 2.23 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 2.40 2.40 0.00 183 I 7.70 3.83 1.87 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 1.45 1.38 0.91 0.00 0.00 184 A 8.37 3.97 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 0.00 185 R 8.12 3.83 0.00 2.05 1.96 0.00 3.16 0.00 0.00 3.09 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 186 V 8.16 3.49 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 0.83 0.00 0.00 0.98 0.00 0.00 187 L 7.76 4.28 0.00 1.68 1.69 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.15 4.12 0.00 2.03 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 2.32 2.35 0.00 189 S 8.98 4.28 0.00 3.91 3.87 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 0.00 190 L 7.19 4.96 0.00 1.70 1.60 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 191 T 7.11 4.11 4.46 0.00 0.00 0.00 0.00 0.00 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 *205 Q 8.60 4.26 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 206 I 8.23 5.06 1.87 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 1.11 0.58 0.91 0.00 0.00 207 V 8.47 4.57 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 0.92 0.00 0.00 0.93 0.00 0.00 208 A 8.60 4.81 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 0.00 209 D 9.00 4.67 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 E 8.92 3.99 0.00 1.99 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 2.32 2.25 0.00 211 R 8.09 3.98 0.00 1.81 2.08 0.00 3.24 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 212 T 8.02 4.25 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 0.00 213 N 7.84 4.08 0.00 2.89 2.76 0.00 0.00 6.89 8.04 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 0.00 214 S 8.01 4.92 0.00 3.73 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 0.00 215 V 8.72 4.77 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 1.13 0.00 0.00 0.93 0.00 0.00 216 I 9.23 4.89 1.87 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 1.28 0.79 0.91 0.00 0.00 217 V 8.35 4.86 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 0.81 0.00 0.00 0.99 0.00 0.00 218 S 8.47 4.89 0.00 3.82 3.82 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 0.00 0.00 0.00 219 G 7.84 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 0.00 220 D 7.95 4.75 0.00 2.89 2.82 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 0.00 0.00 0.00 221 P 0.00 4.14 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 222 A 7.96 3.97 1.32 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 0.00 0.00 223 T 7.89 3.96 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 1.21 0.00 0.00 224 R 8.31 3.95 0.00 1.85 1.97 0.00 3.32 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 225 D 8.00 4.57 0.00 2.98 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 0.00 226 K 7.92 3.88 0.00 2.01 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 227 M 7.88 4.13 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 228 R 8.73 3.88 0.00 2.04 2.01 0.00 3.10 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 1.63 1.68 0.00 229 R 7.90 3.90 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 230 L 7.54 3.96 0.00 1.66 1.70 0.92 1.04 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 0.00 231 I 7.80 3.85 2.07 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 1.52 0.59 0.91 0.00 0.00 232 R 7.89 3.94 0.00 1.97 2.00 0.00 3.32 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 233 R 7.76 4.13 0.00 1.97 1.99 0.00 3.15 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 234 L 7.49 4.55 0.00 1.61 1.68 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 235 D 7.80 4.31 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.