NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9253 8.3549 109.7265 45.3287 0.0000 174.2519 2 H 3.8451 9.1206 119.8391 56.6680 26.9937 176.4146 3 N 5.1516 10.0509 131.7128 51.1444 42.3173 176.0922 4 K 4.5080 8.5154 126.4430 55.7203 32.4850 180.3692 5 K 4.3937 8.7039 120.9417 54.4110 35.3612 175.8047 6 F 4.3367 8.7964 123.6086 57.6146 39.9814 175.1728 7 D 4.5080 7.7051 127.0073 52.1447 42.2497 174.7780 8 R 3.7122 8.8964 129.7338 60.0558 30.5652 179.4058 9 S 4.1934 8.2876 113.6403 61.0012 62.3414 177.4702 10 E 4.3124 8.0401 116.9440 57.9581 29.1775 176.8893 11 H 4.7116 8.1614 115.0880 55.2401 29.7374 174.0569 12 V 4.0137 7.4848 120.3624 61.6144 32.0416 174.4488 13 Y 4.2983 8.5464 128.7632 56.3043 39.0680 174.2135 14 R 4.2504 7.8316 127.3795 54.3472 32.2519 174.5910 15 N 4.6791 8.0658 123.0718 50.6018 40.0573 173.5318 16 D 4.6438 8.8644 128.4353 58.2059 40.8938 179.2454 17 S 4.2143 8.2946 118.4209 63.5098 62.0797 179.1876 18 F 4.4579 8.7395 123.4788 61.4615 39.0126 177.1062 19 L 3.9140 8.1877 118.6332 57.9413 41.3341 179.4209 20 E 3.9618 8.0479 117.9688 59.1454 29.3593 179.2753 21 L 3.9214 7.7142 118.7919 57.8705 41.7968 179.5156 22 I 3.5736 7.0926 112.8908 63.6072 37.5397 177.6832 23 K 3.7353 7.8073 121.5684 59.7408 31.9057 178.0431 24 D 4.3603 8.4406 118.0300 57.0575 41.0224 178.0400 25 A 4.0914 8.0799 121.5068 55.2325 18.3614 179.8460 26 V 3.6178 8.0550 116.9045 66.2167 31.4304 178.2327 27 R 4.0453 7.9388 117.2690 58.7703 30.1940 178.0851 28 F 4.2175 8.3691 120.9238 61.1281 39.4700 176.5019 29 F 3.8196 9.0587 121.0032 61.9410 38.9227 177.3772 30 S 4.4439 8.6636 113.5160 61.0926 62.7346 176.1017 31 G 3.7852 7.4952 105.9650 43.8964 0.0000 174.0623 32 T 3.7742 6.4576 111.1590 60.0271 69.6568 172.8381 33 P 4.1204 0.0000 0.0000 62.3337 31.9661 176.5165 34 V 3.8087 7.7369 122.2145 63.0456 32.3828 174.5503 35 H 5.1540 8.9913 123.5424 53.4022 33.4825 172.9117 36 S 4.5166 8.8066 114.2433 58.8772 63.7475 173.6501 37 L 4.6954 8.4996 123.4940 53.0992 42.5053 174.3350 38 P 4.7157 0.0000 0.0000 60.7696 33.1292 174.0674 39 P 4.5515 0.0000 0.0000 61.9082 31.6895 176.0743 40 P 4.4350 0.0000 0.0000 64.7530 31.5036 176.1638 41 E 4.7827 7.4879 116.8899 54.5060 33.3007 175.4344 42 R 4.3803 8.4030 120.3078 55.9177 31.2676 175.9057 43 F 4.9653 7.5388 113.5074 55.8585 40.6110 173.7186 44 Q 4.3782 9.4260 120.8778 55.1213 30.1581 174.9049 45 G 4.4674 7.4545 106.3084 43.2416 0.0000 172.3534 46 A 5.2184 8.3756 122.6483 49.7972 22.6700 176.0163 47 G 5.0743 7.4512 109.2496 46.6124 0.0000 172.6199 48 V 5.0918 8.3278 123.3306 61.5189 34.5904 174.2525 49 Y 5.9427 8.6206 122.1987 56.1124 42.2405 173.4030 50 A 5.0022 9.5468 120.9772 50.5432 23.1250 174.9677 51 L 5.2715 9.1347 122.5461 53.5676 43.9766 175.3717 52 Y 4.8215 9.5274 120.9606 56.2407 41.5585 173.8810 53 Y 4.6178 8.1847 123.3532 55.8383 40.9630 175.2091 54 T 4.2608 7.2002 113.0772 61.3663 70.7191 174.8201 55 G 3.7132 5.3800 112.3624 45.6690 0.0000 174.5084 56 H 5.1422 8.6903 120.4985 55.6114 30.8182 172.5342 57 Y 4.3116 8.7238 122.1987 58.0479 38.9717 176.7619 58 S 3.9434 8.6316 122.8263 61.4966 63.1315 176.7706 59 L 3.7736 6.6666 119.5649 56.8474 41.4637 177.5175 60 Y 5.0008 8.1326 114.4230 57.8896 38.3016 176.7001 61 D 4.4012 7.8526 122.4025 57.7067 40.9290 178.1165 62 E 3.7051 7.8132 118.4113 59.6405 29.1637 178.7659 63 Y 4.2738 7.9840 116.9325 61.2490 37.8032 178.7944 64 S 4.0163 7.7031 113.6166 61.2926 62.8249 176.3082 65 R 4.2019 7.6551 120.7793 58.4764 30.2226 178.6185 66 I 3.8154 8.0339 118.7922 63.6437 37.2710 176.6026 67 N 5.5740 8.4922 115.8132 52.3324 38.4311 176.1056 68 R 3.7503 7.3917 121.6771 59.5456 30.2132 178.2543 69 K 4.2489 7.6033 117.5905 54.7504 32.9771 177.9899 70 A 4.3858 7.0920 118.4681 52.2191 21.7138 175.3439 71 Y 4.5687 8.1333 118.2830 57.3025 36.6654 175.3339 72 N 4.6240 8.5888 120.5648 54.2810 39.8638 175.5728 73 L 4.5872 7.8178 122.8821 52.1934 43.0318 174.2261 74 P 3.8936 0.0000 0.0000 62.7661 31.9710 175.8211 75 I 4.0260 7.8869 119.0839 61.7485 39.9027 174.5155 76 Y 5.1568 7.3055 122.2006 56.2725 42.2963 173.3282 77 V 4.4485 8.3931 126.4916 60.9851 34.2190 174.5907 78 G 4.0102 8.0023 113.4974 43.2929 0.0000 170.7310 79 K 5.3372 8.3738 117.1776 55.0417 36.1758 175.7215 80 A 4.6262 9.5909 123.0467 50.4620 22.0294 175.7872 81 V 4.1356 8.2227 122.7420 60.6081 33.3069 173.8715 82 P 4.3954 0.0000 0.0000 61.9135 32.0858 175.7317 83 A 3.9830 8.1116 124.6214 54.4161 18.7471 177.8890 84 G 4.4047 9.1493 109.4127 46.3592 0.0000 174.8374 85 W 4.3631 7.6197 128.7074 59.5231 30.7379 177.0071 86 R 4.0522 7.9885 115.1912 57.3154 29.7996 175.5665 87 Q 4.1936 7.2814 119.9293 55.6031 30.8878 175.3897 *88 S 4.7803 7.7769 122.4837 58.7143 66.2675 178.6984 *89 R 3.9967 7.7413 120.2277 57.5866 28.1871 179.1190 90 I 4.2041 8.1626 128.0583 59.9236 35.1880 174.6869 91 S 4.7565 8.9482 119.2222 57.6275 65.1689 176.7742 92 D 4.6405 8.4461 117.8940 56.9771 39.7688 182.0914 93 H 4.8636 8.3186 117.7339 57.4895 33.8845 174.2108 94 E 4.2053 8.8369 113.4509 56.0740 28.1278 180.7046 95 T 4.6470 8.4538 121.7841 62.4704 71.6394 175.1579 96 R 4.5172 8.2443 126.9496 53.1627 29.6442 172.1339 97 A 3.9956 8.5903 128.3299 52.1890 18.9448 176.6748 98 G 3.8888 8.0655 104.3038 45.3465 0.0000 173.5076 99 S 4.8244 8.1285 121.5781 57.4902 63.7382 176.4027 100 E 3.8544 8.3548 122.0586 59.4543 28.9956 178.0841 101 L 3.9233 7.9136 121.0755 57.9430 42.2676 178.7130 102 S 3.4508 7.1906 112.4662 61.3581 62.1791 175.7118 103 N 4.1853 7.9710 119.1014 56.1924 38.1903 177.4498 104 R 3.7598 7.6237 119.9620 59.3300 30.2003 178.5855 105 I 3.3879 7.5632 119.6789 64.2759 37.1227 178.6715 106 R 3.8806 7.7681 119.0363 58.9323 29.7910 178.7351 107 E 3.8469 8.0025 119.3410 59.4112 29.6410 178.4857 108 H 4.1248 7.9605 116.4368 58.7137 28.7169 177.6061 109 G 3.9436 8.1819 107.6301 48.3426 0.0000 175.8294 110 R 3.9532 7.7965 120.3551 58.8561 29.8285 178.9647 111 N 4.4213 8.1193 115.4513 56.3423 38.8032 177.2612 112 I 4.0333 8.1369 121.0617 64.4005 36.9878 178.1805 113 A 4.0759 8.0846 120.6542 55.2221 18.1827 179.4031 114 K 4.1730 7.7917 115.8350 57.8495 32.4332 177.6472 115 T 4.4014 7.1655 108.4660 61.1505 69.4097 174.2201 116 S 4.5220 8.3306 116.8626 59.0205 63.9786 175.0270 117 N 4.7043 7.8889 114.8604 52.2675 37.9583 174.5022 118 L 4.8506 7.4950 119.2692 52.9692 44.8057 175.1550 119 D 4.9616 8.8203 121.8111 52.1326 42.7770 176.2376 120 L 4.0695 8.9483 129.1128 58.7370 42.0513 178.5621 121 C 4.3997 8.6505 114.7142 61.9994 28.3276 173.9754 122 D 4.5744 9.0938 119.4892 54.7130 40.7831 175.5375 123 F 5.3671 8.4896 118.5790 56.0873 41.7667 174.8213 124 S 5.0891 9.1943 116.6481 57.6334 67.9909 172.3335 125 C 5.5592 9.4650 114.5834 57.5020 33.3606 173.1853 126 R 5.0844 9.3216 118.3525 54.5603 33.6100 174.6476 127 F 5.7412 7.8886 115.3058 55.6145 41.5559 173.6870 128 V 4.5024 9.3149 119.5207 61.3899 34.7901 174.0554 129 I 5.0917 8.6191 128.3036 60.2884 38.5530 174.8304 130 F 4.7609 9.2738 126.2167 55.7213 40.5948 176.1272 131 E 4.2786 9.0552 122.7015 55.7508 30.2733 177.4819 132 A 3.9545 8.4131 121.9953 56.1786 18.6481 180.1911 133 T 4.0186 7.9633 104.9360 63.7567 69.3120 175.2177 134 G 4.1269 8.4977 111.2921 45.6518 0.0000 175.6621 135 S 4.2222 8.0026 116.3604 61.1967 62.6723 176.1018 136 D 4.5389 8.1202 121.3718 57.2191 40.8011 177.8870 137 M 4.2315 8.1119 119.1023 57.5603 31.8675 178.3819 138 I 2.6684 7.1324 120.9618 64.2954 37.2800 178.3820 139 S 4.0983 7.8026 114.0165 61.4268 62.8910 176.4841 140 T 3.9614 7.7686 119.2556 66.3964 68.2934 176.7597 141 V 3.5980 7.6294 119.9877 65.9329 31.6425 177.6896 142 Q 3.7803 8.0702 119.1180 59.3245 28.7546 178.4587 143 A 3.9583 8.0719 121.3723 54.8758 18.4037 179.4480 144 A 3.9437 8.2453 119.5209 55.4144 18.4457 179.8893 145 L 4.0159 7.9767 117.4822 58.0459 41.6310 179.9066 146 I 3.7386 7.8860 119.8402 64.0387 36.8012 178.3632 147 K 3.9673 8.1837 120.2152 59.3995 32.0617 178.6097 148 I 3.8140 7.5009 119.2160 63.6398 37.3036 177.0073 149 Y 4.5092 8.0213 114.7692 56.5556 39.9854 175.7747 150 K 3.9534 7.9435 118.3861 56.9210 30.3892 172.8579 151 P 4.5369 0.0000 0.0000 62.0800 32.9164 178.1546 152 L 3.3627 8.3905 122.6574 58.1342 42.0210 179.1394 153 W 5.1770 8.3222 115.3169 57.9427 29.0429 176.5162 154 N 4.9576 8.0325 115.0299 53.4999 39.1463 175.6533 155 T 4.6454 7.8307 105.1464 60.9605 70.7452 174.7494 156 V 4.2522 8.2972 119.0513 63.2953 33.9377 175.3639 157 V 4.4086 7.5361 119.3706 60.9017 31.4628 174.0751 158 D 5.1592 8.0584 124.8034 53.2728 42.4719 176.6710 159 G 4.0791 9.2088 108.5684 47.0916 0.0000 176.0314 160 F 2.8390 8.2148 121.6364 60.8333 39.0563 176.6020 161 G 3.6941 7.9249 107.6119 47.8855 0.0000 173.5227 162 N 4.3228 7.9920 118.7298 53.3680 38.9788 174.8664 163 H 4.4109 8.2244 119.5911 54.7861 29.8198 175.0164 164 T 2.0000 7.7491 115.9666 63.3185 68.4182 172.9405 165 P 3.9306 0.0000 0.0000 63.4461 31.8893 177.0941 166 G 3.8169 7.8646 103.2434 44.3109 0.0000 173.5607 167 A 4.2048 8.2592 120.3306 54.3903 18.4054 178.8774 168 G 3.9093 8.0359 103.0872 47.0075 0.0000 174.2263 169 R 4.5420 8.1028 119.4169 55.4543 31.5370 177.0679 170 F 4.4027 8.5725 115.8700 59.6981 38.2843 175.9604 171 A 4.5161 7.0130 118.8104 51.7839 19.5011 177.2983 172 Q 4.3018 8.0695 114.9181 55.3526 30.4453 175.5283 173 A 4.4592 8.4028 121.8724 51.4903 19.0579 177.5801 174 K 4.2784 8.8028 122.8647 56.6660 33.2697 176.6208 175 S 4.6763 8.6441 119.0957 57.4076 64.5843 174.6119 176 D 4.4833 8.9591 121.5617 57.7700 40.4663 179.3403 177 W 3.9807 8.3568 128.5668 60.5581 30.5814 177.9335 178 D 4.5515 8.5100 118.7776 57.0570 39.9136 179.2897 179 V 3.5871 7.4699 112.8729 64.1706 31.7309 178.1692 180 I 3.8538 7.1659 110.8097 62.1051 38.9852 175.6999 181 H 4.4962 7.4806 117.2713 53.0273 28.5082 172.0220 182 P 4.3954 0.0000 0.0000 61.8994 32.0933 177.6437 183 G 4.0940 8.2850 117.7149 46.6352 0.0000 173.8633 184 R 3.9341 7.2999 121.1012 55.6106 30.6187 177.4278 185 E 4.0000 8.7917 123.1147 58.9706 30.0478 179.2871 186 W 4.3581 7.9622 115.9942 59.2048 28.2483 178.0989 187 A 3.9473 7.0461 121.4945 55.0609 17.4529 179.3545 188 E 4.0256 7.8275 115.8141 58.8304 29.5764 178.6585 189 K 4.4950 7.8893 116.3264 55.8118 32.6021 176.2796 190 C 4.7204 7.7289 119.0045 59.4050 28.4604 173.4515 191 T 4.5412 8.5265 114.2312 61.1692 68.8431 174.5474 192 G 3.8586 7.8254 109.6486 45.8596 0.0000 174.0857 193 V 3.8625 8.3025 120.3699 63.2747 31.6321 175.2358 194 H 4.8997 8.3120 123.9962 53.9844 30.7068 175.0675 195 S 4.3131 8.5211 114.4763 57.9940 63.5589 174.8886 196 E 4.2013 8.4956 122.5791 55.6482 30.5697 176.1951 197 P 4.2786 0.0000 0.0000 65.9557 31.5887 177.8795 198 Y 4.1078 8.2637 117.8660 60.9330 38.5816 178.0786 199 F 4.2817 8.5462 120.5315 61.5117 39.6270 176.7594 200 I 3.7278 8.0968 119.3444 64.7173 37.1175 178.3716 201 E 3.9610 8.9394 119.5949 59.4121 29.1367 179.3474 202 E 3.8526 8.3185 119.1689 59.1167 29.4266 179.5760 203 R 3.7932 7.7443 118.3078 59.0234 29.9893 178.7480 204 I 3.7211 8.0051 120.0293 64.7328 37.2225 178.4678 205 K 4.1166 7.9827 118.6076 59.6833 31.9414 179.2436 206 Q 3.9584 8.2964 119.9734 59.0643 28.7251 177.2255 207 Y 4.0105 8.1982 120.3242 60.5705 38.7196 177.5152 208 F 4.7113 7.8990 118.4110 58.1995 40.0425 176.1899 209 S 3.8269 7.5294 113.6079 59.6211 60.2432 175.8585 210 K 4.6109 8.1759 122.0278 56.2585 31.8828 181.6564 211 S 4.4687 8.0598 122.1196 59.1424 62.3600 176.9020 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 1 G 8.35 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 2 H 9.12 3.85 0.00 3.32 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 10.05 5.15 0.00 2.69 2.60 0.00 0.00 6.37 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 4 K 8.52 4.51 0.00 1.69 1.16 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 5 K 8.70 4.39 0.00 1.71 1.50 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.20 0.93 7.81 6 F 8.80 4.34 0.00 3.01 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 7 D 7.71 4.51 0.00 2.62 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 8 R 8.90 3.71 0.00 2.04 2.01 0.00 3.33 0.00 0.00 3.43 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 9 S 8.29 4.19 0.00 3.74 3.86 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 E 8.04 4.31 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 2.29 2.23 0.00 11 H 8.16 4.71 0.00 3.16 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.48 4.01 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 0.73 0.00 0.00 1.00 0.00 0.00 13 Y 8.55 4.30 0.00 2.93 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 14 R 7.83 4.25 0.00 1.64 1.61 0.00 3.18 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 15 N 8.07 4.68 0.00 2.41 2.70 0.00 0.00 7.16 8.49 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 16 D 8.86 4.64 0.00 2.73 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 17 S 8.29 4.21 0.00 3.73 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 18 F 8.74 4.46 0.00 3.14 3.26 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 19 L 8.19 3.91 0.00 1.75 1.70 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.05 3.96 0.00 1.95 1.98 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 2.33 2.49 0.00 21 L 7.71 3.92 0.00 1.71 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.09 3.57 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.86 0.00 0.00 23 K 7.81 3.74 0.00 1.88 2.03 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 D 8.44 4.36 0.00 2.81 2.83 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 25 A 8.08 4.09 1.46 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 0.00 0.00 0.00 26 V 8.05 3.62 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.02 0.00 0.00 27 R 7.94 4.05 0.00 1.94 2.18 0.00 3.51 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 28 F 8.37 4.22 0.00 3.26 3.25 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 0.00 29 F 9.06 3.82 0.00 3.46 3.39 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 30 S 8.66 4.44 0.00 4.11 4.03 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 1.33 -0.28 0.88 0.00 0.00 106 R 7.77 3.88 0.00 1.99 1.89 0.00 3.03 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 107 E 8.00 3.85 0.00 1.91 1.84 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 2.07 2.23 0.00 108 H 7.96 4.12 0.00 3.42 3.64 0.00 5.71 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 0.00 109 G 8.18 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.80 3.95 0.00 2.07 1.99 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 111 N 8.12 4.42 0.00 2.62 2.88 0.00 0.00 7.09 7.07 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 0.00 112 I 8.14 4.03 1.94 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 0.66 0.00 0.00 113 A 8.08 4.08 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 0.00 114 K 7.79 4.17 0.00 1.90 2.03 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 115 T 7.17 4.40 4.07 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 1.29 0.00 0.00 116 S 8.33 4.52 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 0.00 117 N 7.89 4.70 0.00 2.24 2.74 0.00 0.00 5.82 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 0.00 118 L 7.50 4.85 0.00 1.64 1.89 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.82 4.96 0.00 2.82 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 0.00 120 L 8.95 4.07 0.00 1.83 1.77 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 121 C 8.65 4.40 0.00 3.20 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 0.00 122 D 9.09 4.57 0.00 3.02 2.25 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 0.00 123 F 8.49 5.37 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 9.19 5.09 0.00 3.42 3.59 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 0.00 125 C 9.47 5.56 0.00 3.31 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 0.00 126 R 9.32 5.08 0.00 1.97 1.32 0.00 3.08 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 127 F 7.89 5.74 0.00 3.30 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 0.00 128 V 9.31 4.50 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 0.80 0.00 0.00 0.98 0.00 0.00 129 I 8.62 5.09 2.00 0.00 0.00 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 1.75 1.07 1.08 0.00 0.00 130 F 9.27 4.76 0.00 2.92 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 0.00 131 E 9.06 4.28 0.00 2.05 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 2.43 2.27 0.00 132 A 8.41 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.96 4.02 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 1.24 0.00 0.00 134 G 8.50 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 0.00 0.00 0.00 135 S 8.00 4.22 0.00 4.08 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 0.00 136 D 8.12 4.54 0.00 2.72 2.83 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 0.00 137 M 8.11 4.23 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.70 0.00 138 I 7.13 2.67 1.64 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.05 0.68 0.00 0.00 139 S 7.80 4.10 0.00 4.03 4.04 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 0.00 140 T 7.77 3.96 4.47 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 1.52 0.00 0.00 141 V 7.63 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 1.17 0.00 0.00 1.28 0.00 0.00 142 Q 8.07 3.78 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 143 A 8.07 3.96 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 0.00 144 A 8.25 3.94 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 0.00 145 L 7.98 4.02 0.00 1.71 1.61 -0.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.89 3.74 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.89 0.00 0.00 147 K 8.18 3.97 0.00 1.80 1.96 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 148 I 7.50 3.81 1.51 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.12 0.00 0.00 149 Y 8.02 4.51 0.00 3.02 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 0.00 150 K 7.94 3.95 0.00 1.98 1.95 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 151 P 0.00 4.54 0.00 2.32 1.92 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 152 L 8.39 3.36 0.00 1.16 1.42 0.12 1.00 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 0.00 153 W 8.32 5.18 0.00 3.68 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 0.00 154 N 8.03 4.96 0.00 2.83 2.82 0.00 0.00 6.71 7.16 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 0.00 155 T 7.83 4.65 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 1.29 0.00 0.00 156 V 8.30 4.25 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 0.77 0.00 0.00 0.90 0.00 0.00 157 V 7.54 4.41 2.39 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 1.15 0.00 0.00 1.10 0.00 0.00 158 D 8.06 5.16 0.00 2.85 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 0.00 159 G 9.21 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 160 F 8.21 2.84 0.00 1.51 2.52 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 0.00 161 G 7.92 3.69 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 0.00 0.00 0.00 162 N 7.99 4.32 0.00 3.00 2.61 0.00 0.00 6.85 7.73 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 0.00 163 H 8.22 4.41 0.00 2.98 3.04 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.75 2.00 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 0.95 0.00 0.00 165 P 0.00 3.93 0.00 1.92 1.97 0.00 2.82 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 166 G 7.86 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 0.00 0.00 0.00 167 A 8.26 4.20 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 0.00 168 G 8.04 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 0.00 0.00 0.00 169 R 8.10 4.54 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 170 F 8.57 4.40 0.00 3.22 3.41 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 0.00 171 A 7.01 4.52 0.70 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 0.00 0.00 172 Q 8.07 4.30 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 173 A 8.40 4.46 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 0.00 174 K 8.80 4.28 0.00 1.83 1.77 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 175 S 8.64 4.68 0.00 4.28 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 0.00 176 D 8.96 4.48 0.00 2.87 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 0.00 177 W 8.36 3.98 0.00 3.37 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 8.51 4.55 0.00 2.85 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 0.00 179 V 7.47 3.59 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 0.81 0.00 0.00 0.91 0.00 0.00 180 I 7.17 3.85 1.72 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.29 0.88 0.00 0.00 181 H 7.48 4.50 0.00 1.40 2.33 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.40 0.00 2.09 2.06 0.00 3.75 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 1.94 1.81 0.00 183 G 8.28 4.09 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 0.00 0.00 0.00 184 R 7.30 3.93 0.00 1.24 0.99 0.00 3.26 0.00 0.00 2.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 185 E 8.79 4.00 0.00 2.06 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 2.28 0.00 186 W 7.96 4.36 0.00 3.54 3.34 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 0.00 187 A 7.05 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.83 4.03 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 189 K 7.89 4.50 0.00 2.07 1.97 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 190 C 7.73 4.72 0.00 3.27 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 0.00 191 T 8.53 4.54 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 1.38 0.00 0.00 192 G 7.83 3.86 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 0.00 0.00 0.00 193 V 8.30 3.86 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 0.77 0.00 0.00 0.91 0.00 0.00 194 H 8.31 4.90 0.00 3.16 3.35 0.00 5.78 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 0.00 195 S 8.52 4.31 0.00 4.10 3.95 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 0.00 196 E 8.50 4.20 0.00 2.11 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 2.31 2.29 0.00 197 P 0.00 4.28 0.00 2.23 2.14 0.00 3.73 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 198 Y 8.26 4.11 0.00 3.16 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 0.00 199 F 8.55 4.28 0.00 3.23 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 8.10 3.73 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.96 0.99 0.00 0.00 201 E 8.94 3.96 0.00 2.09 1.90 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 2.31 2.46 0.00 202 E 8.32 3.85 0.00 1.71 1.85 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 1.64 2.20 0.00 203 R 7.74 3.79 0.00 1.80 1.86 0.00 2.39 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 204 I 8.01 3.72 2.12 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 1.28 0.00 0.00 205 K 7.98 4.12 0.00 1.97 1.88 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.49 7.81 206 Q 8.30 3.96 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 207 Y 8.20 4.01 0.00 2.80 2.83 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 0.00 208 F 7.90 4.71 0.00 3.09 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 0.00 209 S 7.53 3.83 0.00 3.76 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 0.00 210 K 8.18 4.61 0.00 1.77 1.69 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.23 7.81 211 S 8.06 4.47 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.