NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 L 4.4167 8.1693 120.6502 54.2820 43.2282 176.5468 30 S 4.1720 8.4696 118.4213 55.7565 63.4572 172.9852 31 P 4.3608 0.0000 0.0000 65.5087 32.0435 178.3145 32 N 4.5529 8.1518 114.7643 53.8960 37.7548 174.5651 33 L 4.8300 7.6853 119.5568 53.0677 43.8467 175.6414 34 I 4.4485 8.4079 123.8521 59.3419 39.1193 175.4623 35 G 4.1478 8.6957 115.1866 45.5524 0.0000 173.8432 36 F 4.7855 9.3399 127.3275 60.1810 39.8679 175.3926 37 N 4.7571 8.2043 117.3771 52.1779 37.4194 174.2053 38 S 4.5620 7.5277 111.6743 56.9395 67.6255 173.2149 39 N 4.2039 8.6926 119.9776 56.6651 38.2461 177.2316 40 E 3.9215 8.1474 120.0766 59.0826 29.6041 178.7584 41 G 4.0181 7.8754 106.9033 47.4493 0.0000 175.4965 42 E 3.8973 8.1837 121.2860 58.8295 29.4123 179.3704 43 K 3.8474 8.0839 119.7106 59.4617 32.0124 178.8636 44 L 3.4663 7.6960 118.6580 57.1518 41.3398 178.9993 45 L 4.3315 7.4420 119.2131 58.1210 41.8947 178.9560 46 L 3.9934 7.7718 118.0946 57.3714 41.6585 177.9149 47 T 4.3002 7.6688 106.2358 61.1720 69.1477 174.6077 48 S 4.3654 7.3931 117.6183 58.4470 62.9578 173.7934 49 R 4.6308 9.1082 125.1226 56.1890 30.6579 177.5504 50 S 4.7694 8.1896 115.2379 56.7529 63.8959 174.8922 51 R 4.9836 7.8615 113.7175 55.4758 30.9459 177.6927 52 E 4.2586 8.5280 121.2501 60.3900 29.3489 178.9926 53 D 4.5836 8.1698 118.0613 56.7596 40.8901 178.2527 54 F 3.9013 8.0389 121.6337 61.2571 39.0840 176.9397 55 F 3.9542 7.6145 115.0357 60.1035 38.8920 175.6079 56 P 4.4139 0.0000 0.0000 65.9632 31.4072 178.0376 57 L 4.0072 7.9764 119.0418 57.0814 41.2345 180.2908 58 S 4.0465 7.4412 112.5182 58.3743 61.8563 175.1600 *60 Q 4.1729 8.0717 118.4729 55.7191 30.2984 175.4011 61 F 4.4881 7.8373 120.6314 58.9689 39.6437 174.6666 62 V 4.4483 8.1543 119.5232 59.7190 35.3858 174.8219 63 T 4.4550 8.2071 118.7930 61.9665 69.1789 174.9955 64 Q 4.2452 8.6910 124.3797 56.6611 29.0112 178.3468 65 V 3.6357 9.0596 122.1893 65.8632 31.5788 175.0499 66 N 4.8036 7.6560 113.0270 51.9249 39.7946 173.6918 67 Q 4.3627 9.0806 117.7459 58.6646 29.4254 178.2120 68 A 4.1340 8.2198 120.2792 55.0713 18.8663 177.8410 69 Y 4.4912 8.3793 112.8502 58.3253 38.0029 177.0792 70 C 4.2355 8.1938 119.1850 61.5300 29.4179 176.2911 71 G 3.4277 7.9198 107.5856 47.3419 0.0000 175.6925 72 V 2.8661 7.3705 120.0080 65.3676 31.3018 177.6201 73 A 3.9063 7.6003 119.0467 55.3330 18.4833 179.4831 74 S 4.1276 7.7846 113.2962 61.7735 62.8679 177.0240 75 I 3.4761 7.5182 122.6820 63.8784 36.8799 179.6239 76 I 3.6946 7.3242 114.9082 60.6699 37.4821 178.2979 *78 V 3.2368 7.7930 121.2507 63.8662 32.4035 177.0834 79 L 3.6050 8.0339 119.8435 57.6376 41.5566 179.1662 80 N 4.6952 8.1107 116.3276 56.4573 38.6396 177.6475 81 S 4.1091 7.5061 112.8820 61.1588 63.0529 175.4033 82 L 4.1813 7.6721 119.2490 55.4667 41.6072 177.9700 83 G 4.0163 7.6693 106.0794 46.0248 0.0000 174.9931 84 I 4.1693 6.8436 117.1091 60.7682 36.2469 176.6906 85 N 4.6899 8.8509 122.7803 52.3190 36.6053 174.5063 86 A 3.0968 8.1504 126.1874 50.7156 19.0309 175.2108 87 P 4.2132 0.0000 0.0000 63.1092 32.8845 175.5362 88 E 4.7075 8.7502 122.9518 55.0976 30.4636 175.1317 89 T 4.6763 8.1622 113.6170 58.9493 72.2233 174.9505 90 A 4.0114 8.5744 124.3639 55.1330 18.6702 179.0771 91 Q 3.9080 8.1917 113.1848 59.1774 28.5836 177.1877 92 Y 4.8472 7.6131 113.7653 56.8306 38.7283 174.9153 93 S 4.2715 7.7069 114.7178 58.6183 62.5831 172.5484 94 P 4.5160 0.0000 0.0000 63.1712 31.4991 175.7470 95 Y 4.2282 7.9401 117.7081 58.0728 38.5272 174.7997 96 R 4.9200 8.6383 122.0695 53.8126 32.0826 175.8848 97 V 4.5359 8.0446 121.3383 60.6006 34.1679 173.2885 98 F 4.5730 8.8692 121.6030 57.5840 39.7724 175.1959 99 T 4.8604 8.4580 117.6180 61.0209 72.7053 174.8923 100 Q 4.1372 8.9138 122.6102 59.4597 28.7936 178.5477 101 D 4.6703 8.3626 117.9760 56.3612 41.7091 176.7428 102 N 4.9391 8.0541 114.8005 52.6761 37.7614 176.0518 103 F 4.3926 8.0745 124.0118 61.4900 39.3783 175.3337 104 F 4.5385 8.0481 115.4444 57.4182 38.8024 177.5690 105 S 4.1380 8.0368 118.5563 60.8960 63.2999 174.8406 106 N 4.2388 7.5291 117.6315 53.0970 39.1996 175.0846 107 E 3.9464 8.6856 128.1358 59.5981 29.4936 179.3960 108 K 3.9410 7.6557 116.7686 59.5709 32.4138 179.2019 109 T 3.9165 7.7511 115.4732 66.6710 68.3174 176.3254 110 K 4.0404 8.0004 119.6362 59.7731 31.8589 179.0972 111 A 3.9678 7.6580 119.5556 54.9892 18.2891 179.6003 112 V 3.7046 7.5069 115.5874 64.5935 32.0704 176.3398 113 I 4.0777 6.8441 112.7076 58.4228 41.7077 174.0487 114 A 3.9662 8.4054 129.4195 51.9213 19.7741 176.6457 115 P 3.1017 0.0000 0.0000 65.5295 30.8273 179.0073 116 E 3.9407 7.8916 116.8157 58.9727 29.3969 179.3772 117 V 3.4234 7.5850 117.9512 66.0640 31.8244 177.9289 118 V 4.0424 7.9677 119.0360 65.5402 31.1215 177.6952 119 A 4.1572 8.2538 119.3814 54.3564 18.1216 178.6009 120 K 4.3322 7.3594 116.4662 57.7016 33.3284 177.0488 121 Q 4.5932 8.2039 113.1875 54.9623 30.5826 176.6425 122 G 4.1466 7.8670 111.0052 47.4426 0.0000 177.0664 *124 T 4.1542 8.2374 118.7262 60.7125 70.8100 173.5601 125 L 3.8566 8.0926 121.0319 58.4354 42.0623 178.3123 126 D 4.3530 8.0359 118.3047 57.5060 40.7877 178.5752 127 E 4.0204 8.0385 119.0718 59.0417 29.4421 178.9648 128 L 3.9936 8.3774 121.0521 58.1309 42.1502 179.0106 129 G 3.7869 8.0947 105.5521 48.3063 0.0000 175.8000 130 R 4.0172 8.1169 120.8086 58.5592 29.8044 179.1863 131 L 4.1126 8.4214 118.4780 57.8526 41.9860 179.3246 132 I 3.9640 8.0162 119.4344 64.5321 37.1226 178.4569 133 A 4.3179 8.2601 121.5899 54.9902 17.9036 179.6418 134 S 4.1514 7.9193 111.4940 60.9762 63.0012 175.1776 135 Y 4.4748 7.9317 119.2409 57.1649 37.8283 175.4668 136 G 3.8999 8.0929 107.4360 46.7651 0.0000 174.5036 137 V 4.3737 7.7208 111.4446 58.9228 34.1351 175.1895 138 K 4.3957 8.8791 123.6193 56.0865 33.2147 175.7893 139 V 5.0233 8.3822 126.1423 61.0008 34.9971 174.2948 140 K 4.5117 9.1277 128.1054 54.6770 34.8757 174.7231 141 V 4.0788 8.3640 127.9794 61.9562 32.8628 175.1154 142 N 4.5945 8.6481 125.3193 51.1229 40.7504 173.3508 143 H 4.4505 8.4259 121.1575 55.1461 30.0258 176.7095 144 A 4.0663 9.1358 126.7999 55.4650 17.9044 180.1716 145 S 4.3381 8.0533 110.2473 60.5108 63.1042 175.0389 146 D 4.8932 8.1065 121.5590 56.0275 41.5107 175.7431 147 T 4.5858 8.2073 113.5785 60.7082 69.8933 172.2938 148 N 4.6749 8.4676 115.9063 50.5679 41.4957 174.5738 149 I 2.8230 6.5822 120.2091 63.9246 37.7627 177.7010 150 E 3.8687 7.8212 118.7555 59.6445 29.3287 178.9913 151 D 4.3889 8.5186 118.9527 57.0002 40.7914 178.3484 152 F 4.0705 8.3596 121.4549 61.4189 39.3022 177.1296 153 R 3.4578 8.1980 118.3036 59.0872 29.9774 178.4358 154 K 3.7906 7.8630 119.2057 59.7588 32.3220 178.9228 155 Q 3.9422 8.3250 118.7243 58.7495 28.6177 178.9879 156 V 3.5568 7.8201 119.2717 65.8995 31.3170 177.8536 157 A 3.9734 7.8828 119.7167 55.0703 18.4471 179.0233 158 E 3.9543 7.9876 117.4452 59.6346 29.7201 178.6883 159 N 4.1639 7.9872 116.4361 56.4394 38.6763 177.3722 160 L 4.1611 8.0991 119.9295 57.2192 41.4744 179.0291 161 K 4.2348 7.7458 116.7341 56.6707 32.5381 176.7144 162 Q 4.4535 7.3917 119.1843 53.9615 29.8583 175.5251 163 D 4.2549 8.1048 121.8190 55.5905 41.3925 177.2572 164 G 3.9929 8.6498 109.3889 45.9966 0.0000 172.8354 165 N 5.2093 7.0269 115.9441 51.2255 42.0151 173.9700 166 F 5.2506 9.4405 120.9538 55.6892 44.2372 173.8603 167 V 5.1683 8.6124 119.6942 60.1440 34.4481 174.2157 168 I 4.9370 8.9299 125.0780 59.6013 40.1869 174.9854 169 V 4.9302 8.6288 119.5605 59.6860 34.7877 174.3329 170 N 5.4286 9.4318 122.1818 52.0618 41.6501 172.7278 171 Y 4.8862 8.1538 123.0643 55.6110 42.4040 173.4868 172 L 4.4703 8.8266 123.7711 54.2663 42.8254 177.4335 173 R 4.1316 8.9323 126.8354 59.5848 30.0573 178.9595 174 K 4.1324 7.9007 119.1177 59.0261 31.9004 178.9441 175 E 4.1625 8.0442 116.6829 57.9203 29.3869 178.1543 176 I 4.4123 7.5776 111.2954 60.1483 38.1372 175.6486 177 G 3.8296 8.1913 107.8705 46.5081 0.0000 173.3440 178 Q 4.6792 7.9642 118.0188 53.3457 31.6719 175.5440 179 E 4.5809 9.8243 122.1394 53.5499 29.6008 175.7298 180 R 4.3535 8.8016 125.1085 55.0242 27.0106 177.3621 181 G 4.2625 9.2760 110.1945 45.6386 0.0000 173.6317 182 G 4.0586 8.6134 108.1623 46.7134 0.0000 172.7031 183 H 5.0810 8.8133 121.7034 54.2119 34.1509 171.9196 184 I 5.0434 7.4431 121.2896 59.8101 40.6625 174.9615 185 S 5.1884 8.5504 120.1028 57.5477 67.7870 172.4620 186 P 4.9469 0.0000 0.0000 62.6664 32.0434 175.8086 187 L 4.7931 8.5087 121.9766 53.8472 42.5637 176.4705 188 A 4.7433 8.4864 123.0043 52.4923 21.4012 176.0459 189 A 4.7752 7.3861 114.3619 51.6141 22.4107 174.5442 190 Y 5.0156 9.2290 120.5723 55.8172 42.4095 173.6929 191 N 4.5698 8.8209 125.8800 51.7735 40.1305 175.3238 192 E 3.5073 8.3245 126.9337 59.3504 30.0095 179.5450 193 Q 3.9684 7.9069 116.8754 58.3481 28.7934 177.0769 194 T 4.1769 7.4153 104.1939 60.3207 70.1996 173.3253 195 D 4.3389 7.2179 119.8607 54.6549 40.2817 172.5694 196 R 5.2927 7.4567 116.5585 54.6386 34.9353 176.1843 197 F 5.3890 9.4204 121.1002 55.9386 41.8870 174.5572 198 L 4.0883 8.4553 125.2688 53.8406 42.7989 174.8104 199 I 4.3188 8.0405 132.8428 60.8194 40.2088 174.5828 *201 D 4.7208 8.5848 126.5805 55.3232 41.6156 177.3920 202 V 3.9897 8.9031 119.8708 63.5311 32.4490 176.7813 203 S 4.3516 8.6903 119.1628 57.8408 61.9936 176.1262 204 R 4.2201 7.7648 119.4836 58.6831 30.3807 178.3502 205 Y 4.3252 7.5968 114.1287 58.2754 38.4142 175.8041 206 K 4.1748 7.9124 120.5057 57.4579 33.7656 175.4450 207 Y 4.9998 7.2184 114.4453 55.3908 41.7497 173.1243 208 P 4.6589 0.0000 0.0000 61.2400 32.9175 173.9815 209 P 4.7459 0.0000 0.0000 63.0136 32.5665 175.9863 210 V 4.8183 8.0919 120.5214 59.8671 35.2512 174.6085 211 W 5.1465 9.8701 125.5436 56.0463 30.0092 175.4384 212 V 4.8363 8.8707 125.9463 59.2061 33.6976 175.8450 213 K 4.5169 8.8191 123.4813 57.0450 32.8434 177.9213 214 T 4.3729 8.8971 120.4249 67.3293 68.3828 177.0866 215 T 4.1823 8.0507 111.1848 64.8639 68.8969 176.3616 216 D 4.3675 8.1289 121.3516 57.1094 40.7752 178.2841 217 L 3.8574 7.9398 119.8826 57.5044 42.1176 178.4394 218 W 4.0902 8.5728 127.9298 60.5056 30.7681 177.6451 219 K 3.9431 7.8861 116.6332 59.3168 31.6717 179.4333 220 A 4.0472 7.7566 116.9928 52.7163 18.5103 177.1860 *222 N 4.3597 8.0096 116.5599 55.0964 38.7930 174.1053 223 T 4.6599 7.3118 108.0481 59.8270 73.1954 173.8913 224 V 4.3617 8.1934 123.4110 61.7997 32.7428 174.7362 225 D 4.5819 9.1893 129.5835 53.8328 41.3926 177.3547 226 S 4.1289 8.8522 121.4048 61.1419 63.5980 175.8785 227 V 3.7052 8.2503 121.0135 65.5168 31.2497 176.9277 228 S 4.3927 8.1307 111.3937 57.9894 63.6955 174.0860 229 Q 3.5615 8.3864 118.8495 56.6550 26.8623 172.9876 230 K 4.7646 7.6691 115.7144 54.3988 36.3279 176.0680 231 T 4.3912 8.3514 118.0672 64.0098 69.4990 175.7978 232 R 4.1232 8.6286 123.2682 56.9724 32.4641 176.5635 233 G 4.1679 6.9651 107.6602 46.7443 0.0000 171.4619 234 F 5.3657 7.8777 117.7790 55.4003 42.0556 174.1798 235 V 4.6154 8.9150 119.6747 61.1966 34.7213 174.2251 236 F 5.5518 8.7232 126.6792 56.7639 40.8618 174.9836 237 V 5.0336 9.0267 122.6337 61.1817 35.0620 175.4040 238 S 4.4703 9.2873 121.8683 58.8823 63.1128 173.8762 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 29 L 8.17 4.42 0.00 1.72 1.74 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.47 4.17 0.00 4.24 4.02 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 31 P 0.00 4.36 0.00 2.21 2.25 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 32 N 8.15 4.55 0.00 2.88 3.00 0.00 0.00 5.92 7.79 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 33 L 7.69 4.83 0.00 1.80 1.63 0.84 0.84 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 34 I 8.41 4.45 2.01 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 1.18 1.07 0.95 0.00 0.00 35 G 8.70 4.15 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 0.00 36 F 9.34 4.79 0.00 2.98 3.23 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 37 N 8.20 4.76 0.00 2.96 3.12 0.00 0.00 5.80 7.64 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 38 S 7.53 4.56 0.00 4.02 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 39 N 8.69 4.20 0.00 2.79 2.87 0.00 0.00 6.45 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.15 3.92 0.00 1.97 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 2.23 2.24 0.00 41 G 7.88 4.02 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 0.00 0.00 0.00 42 E 8.18 3.90 0.00 2.04 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 1.85 2.21 0.00 43 K 8.08 3.85 0.00 1.78 1.89 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.37 7.81 44 L 7.70 3.47 0.00 0.29 0.13 0.23 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.44 4.33 0.00 2.25 1.96 0.46 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.77 3.99 0.00 1.76 1.69 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.67 4.30 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 1.11 0.00 0.00 48 S 7.39 4.37 0.00 3.91 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 49 R 9.11 4.63 0.00 1.97 1.91 0.00 3.15 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 50 S 8.19 4.77 0.00 4.20 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 51 R 7.86 4.98 0.00 2.00 2.16 0.00 3.29 0.00 0.00 3.64 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 52 E 8.53 4.26 0.00 2.33 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 0.00 2.40 2.43 0.00 53 D 8.17 4.58 0.00 2.89 2.91 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 54 F 8.04 3.90 0.00 3.12 2.85 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 55 F 7.61 3.95 0.00 3.19 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 56 P 0.00 4.41 0.00 2.34 2.30 0.00 4.25 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 57 L 7.98 4.01 0.00 1.52 1.47 1.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.44 4.05 0.00 3.51 2.64 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 *60 Q 8.07 4.17 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 61 F 7.84 4.49 0.00 2.96 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 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0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 139 V 8.38 5.02 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 0.90 0.00 0.00 1.00 0.00 0.00 140 K 9.13 4.51 0.00 1.94 1.83 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 141 V 8.36 4.08 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 0.70 0.00 0.00 0.86 0.00 0.00 142 N 8.65 4.59 0.00 1.44 1.72 0.00 0.00 6.65 8.20 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 0.00 143 H 8.43 4.45 0.00 3.30 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 9.14 4.07 0.73 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 0.00 0.00 145 S 8.05 4.34 0.00 4.04 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 0.00 146 D 8.11 4.89 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.21 4.59 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 1.73 0.00 0.00 148 N 8.47 4.67 0.00 2.74 2.81 0.00 0.00 5.61 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 0.00 149 I 6.58 2.82 0.56 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 1.56 1.50 0.58 0.00 0.00 150 E 7.82 3.87 0.00 2.19 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 0.00 2.35 2.40 0.00 151 D 8.52 4.39 0.00 2.76 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 0.00 152 F 8.36 4.07 0.00 3.11 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 0.00 153 R 8.20 3.46 0.00 1.92 2.03 0.00 3.11 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 1.33 1.31 0.00 154 K 7.86 3.79 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 155 Q 8.33 3.94 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 156 V 7.82 3.56 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 0.73 0.00 0.00 0.54 0.00 0.00 157 A 7.88 3.97 1.02 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 0.00 0.00 158 E 7.99 3.95 0.00 2.08 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 2.28 0.00 159 N 7.99 4.16 0.00 2.81 2.70 0.00 0.00 7.12 6.02 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 0.00 160 L 8.10 4.16 0.00 1.79 1.94 1.22 0.60 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 0.00 161 K 7.75 4.23 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.70 7.81 162 Q 7.39 4.45 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 163 D 8.10 4.25 0.00 2.70 2.56 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 0.00 164 G 8.65 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 0.00 0.00 0.00 165 N 7.03 5.21 0.00 2.47 2.50 0.00 0.00 6.63 7.33 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 0.00 166 F 9.44 5.25 0.00 3.02 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 0.00 167 V 8.61 5.17 2.45 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 0.91 0.00 0.00 1.06 0.00 0.00 168 I 8.93 4.94 1.87 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 1.20 0.72 0.93 0.00 0.00 169 V 8.63 4.93 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 0.80 0.00 0.00 1.14 0.00 0.00 170 N 9.43 5.43 0.00 2.68 2.70 0.00 0.00 6.84 7.44 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 0.00 171 Y 8.15 4.89 0.00 3.04 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 0.00 172 L 8.83 4.47 0.00 1.73 1.68 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.93 4.13 0.00 2.11 2.07 0.00 3.26 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 174 K 7.90 4.13 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.58 7.81 175 E 8.04 4.16 0.00 2.05 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 2.34 2.43 0.00 176 I 7.58 4.41 1.82 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.58 0.82 0.00 0.00 177 G 8.19 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 0.00 0.00 0.00 178 Q 7.96 4.68 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 1.63 1.99 0.00 179 E 9.82 4.58 0.00 1.95 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 2.37 2.34 0.00 180 R 8.80 4.35 0.00 2.03 1.77 0.00 3.30 0.00 0.00 3.36 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 181 G 9.28 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 0.00 0.00 0.00 0.00 182 G 8.61 4.06 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 0.00 0.00 0.00 183 H 8.81 5.08 0.00 2.86 2.14 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 I 7.44 5.04 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.86 0.00 0.00 185 S 8.55 5.19 0.00 3.91 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 0.00 186 P 0.00 4.95 0.00 1.85 1.93 0.00 3.64 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 1.93 2.16 0.00 187 L 8.51 4.79 0.00 1.56 1.64 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.49 4.74 1.12 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 0.00 0.00 189 A 7.39 4.78 1.26 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 0.00 0.00 0.00 190 Y 9.23 5.02 0.00 2.69 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 0.00 191 N 8.82 4.57 0.00 2.01 2.13 0.00 0.00 6.86 7.53 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 0.00 192 E 8.32 3.51 0.00 1.95 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 0.00 2.40 2.42 0.00 193 Q 7.91 3.97 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 194 T 7.42 4.18 4.11 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 1.01 0.00 0.00 195 D 7.22 4.34 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 R 7.46 5.29 0.00 1.85 2.07 0.00 3.07 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 197 F 9.42 5.39 0.00 3.15 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 0.00 198 L 8.46 4.09 0.00 0.27 0.69 -0.20 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 199 I 8.04 4.32 1.77 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.14 0.97 0.00 0.00 *201 D 8.58 4.72 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 V 8.90 3.99 2.12 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 0.75 0.00 0.00 1.06 0.00 0.00 203 S 8.69 4.35 0.00 3.83 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 0.00 204 R 7.76 4.22 0.00 1.68 1.86 0.00 3.00 0.00 0.00 2.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.41 0.00 205 Y 7.60 4.33 0.00 3.05 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 0.00 206 K 7.91 4.17 0.00 1.20 1.51 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.91 7.81 207 Y 7.22 5.00 0.00 3.11 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 P 0.00 4.66 0.00 2.36 2.21 0.00 4.06 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 209 P 0.00 4.75 0.00 1.90 1.81 0.00 3.83 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 210 V 8.09 4.82 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 0.73 0.00 0.00 0.98 0.00 0.00 211 W 9.87 5.15 0.00 3.38 3.17 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 0.00 0.00 0.00 0.00 212 V 8.87 4.84 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 0.86 0.00 0.00 0.92 0.00 0.00 213 K 8.82 4.52 0.00 2.06 1.87 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.58 1.53 7.81 214 T 8.90 4.37 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 215 T 8.05 4.18 4.34 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 1.28 0.00 0.00 216 D 8.13 4.37 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.94 3.86 0.00 1.62 1.78 0.55 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 218 W 8.57 4.09 0.00 3.35 3.28 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 0.00 219 K 7.89 3.94 0.00 1.94 1.85 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.74 7.81 220 A 7.76 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *222 N 8.01 4.36 0.00 1.77 2.42 0.00 0.00 6.92 7.70 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 0.00 223 T 7.31 4.66 4.18 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.36 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 0.75 0.00 0.00 0.90 0.00 0.00 225 D 9.19 4.58 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.13 0.00 4.01 3.97 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 0.00 227 V 8.25 3.71 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 0.80 0.00 0.00 0.93 0.00 0.00 228 S 8.13 4.39 0.00 4.01 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 0.00 229 Q 8.39 3.56 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 230 K 7.67 4.76 0.00 1.67 1.56 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.56 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.46 7.81 231 T 8.35 4.39 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 1.21 0.00 0.00 232 R 8.63 4.12 0.00 1.66 1.95 0.00 3.21 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 233 G 6.97 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 7.88 5.37 0.00 3.01 2.97 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 0.00 235 V 8.92 4.62 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 1.06 0.00 0.00 0.82 0.00 0.00 236 F 8.72 5.55 0.00 3.12 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 0.00 237 V 9.03 5.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.99 0.00 0.00 238 S 9.29 4.47 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.