NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5285 8.1576 120.0861 56.4677 34.2511 173.9923 3 I 4.9953 8.1696 114.0817 58.5049 40.8537 172.4589 4 D 5.0689 9.5652 124.8775 52.5902 44.5463 175.9346 5 I 5.2257 8.3476 124.2552 59.8830 40.9984 174.7880 6 T 4.5205 9.2439 122.7378 61.8678 71.4409 172.5061 7 D 5.2722 8.3864 125.8579 52.7682 43.3193 174.9418 8 Y 4.6462 8.8754 120.1270 56.5426 41.6885 175.4588 9 N 3.8758 9.2224 118.1311 56.0160 36.7960 173.6922 10 H 4.3302 8.1667 107.0087 55.0902 27.1474 177.3205 11 A 4.0966 8.0348 121.9351 55.3264 18.2458 178.9785 12 D 4.1953 8.0757 117.2419 56.3946 39.1419 177.9886 13 E 4.2655 7.9448 117.3571 57.4197 29.9323 177.7721 14 I 4.1398 7.4604 118.6230 61.7445 38.1201 176.1089 15 L 4.0774 7.5068 121.9915 54.5131 42.5319 176.4280 16 N 4.4840 8.8696 124.2907 53.1394 39.8843 173.6245 17 P 4.4027 0.0000 0.0000 65.9989 31.4564 178.3811 18 Q 4.0598 8.7366 118.4809 59.0559 28.8779 178.0833 19 L 4.2424 8.2178 119.6859 57.6456 41.7858 179.1230 20 W 4.4195 8.7548 128.6737 60.3151 30.6566 177.9336 21 K 3.6475 8.2496 119.7152 59.3859 31.4690 178.5805 22 E 3.9321 8.2032 118.8603 59.3898 29.3799 179.5223 23 I 3.2678 7.1881 119.7934 64.1401 37.1504 178.0725 24 E 3.3358 7.3875 120.2776 59.1568 29.1761 178.7419 25 E 3.8838 8.3225 118.9125 59.4611 29.2118 179.4924 26 T 3.8425 7.2102 115.1032 66.6923 68.6104 176.4035 27 L 4.1180 7.4811 119.4794 57.7051 41.6778 179.2679 28 L 4.1828 7.8210 118.4097 56.6901 42.9315 178.9700 29 K 4.2053 7.3681 120.0864 54.1746 30.0912 173.5094 *31 P 3.9521 0.0000 0.0000 62.7763 33.0168 176.2239 32 L 4.1015 8.0012 120.5744 54.8089 43.0570 174.9251 33 H 5.0153 8.3798 123.4828 54.6723 30.7097 174.6401 34 V 4.9913 8.8789 115.7311 59.8676 36.6053 174.1306 35 K 5.0586 9.0596 120.0800 56.0977 36.3372 175.2133 36 A 4.5081 8.5094 123.4323 52.1269 18.2232 176.5467 37 S 4.2344 7.6817 114.7861 60.1509 64.0182 176.5069 *45 S 4.4276 7.3285 115.2785 57.5434 64.9635 173.3335 46 L 4.7633 8.2396 121.7835 55.2022 42.7986 176.7525 47 I 4.8854 9.2570 116.9599 58.4103 41.7561 174.3317 48 F 4.0999 8.8719 125.5473 58.7229 39.4468 174.4463 49 D 4.5579 7.8081 126.7951 51.8287 41.0637 174.7213 50 P 4.0579 0.0000 0.0000 65.3868 31.4477 178.6028 51 V 3.7784 7.6728 117.7299 65.7006 31.5643 178.0500 52 G 3.7261 8.5591 107.0631 47.5269 0.0000 175.7232 53 T 3.6298 7.5220 118.1549 66.5248 68.4167 176.6014 54 N 4.5593 8.6448 118.5784 56.1059 38.4670 177.4134 55 Q 3.9828 8.3474 121.4662 59.1690 28.7964 177.5246 56 Y 3.8707 8.1245 120.5650 60.7622 38.8845 178.0986 57 I 3.6786 8.0969 120.7711 64.1333 37.2152 178.2943 58 K 4.1024 8.4428 120.7181 59.8654 31.9113 178.6572 59 D 4.3776 8.0074 117.4103 56.8201 40.6439 178.2501 60 E 4.0172 7.4495 118.9464 58.9294 29.7670 178.7007 61 L 4.0169 7.7103 118.5815 56.8646 41.6097 179.5534 62 V 3.7045 7.8485 118.6406 65.6177 31.3541 176.2134 63 P 4.2754 0.0000 0.0000 64.4648 31.3494 176.9274 64 K 4.3174 7.1952 118.1714 56.1990 31.9457 176.1347 65 H 4.1856 8.0259 114.4101 56.6100 26.3248 174.4675 66 W 4.6123 8.2682 119.6262 55.9097 29.9081 176.5332 67 K 4.5643 9.3727 125.5208 56.0390 32.8514 175.8819 68 N 5.4364 8.7719 121.1400 51.3566 40.6568 173.4701 69 N 4.7792 8.6154 118.1047 52.5644 42.8789 172.9697 70 I 4.5350 8.1801 127.3096 58.7844 38.4329 174.0161 71 P 4.1780 0.0000 0.0000 62.2842 31.7691 176.5054 72 I 3.7030 8.1077 123.3567 60.6089 37.1559 174.5145 73 P 4.5000 0.0000 0.0000 62.4001 31.9642 176.7707 74 K 4.3783 8.6291 119.5802 56.9246 32.5497 176.6877 75 R 4.4901 7.8908 115.3391 56.0361 33.8076 174.8669 76 F 3.9008 9.6837 125.2507 61.0107 38.9498 176.8332 77 D 4.8297 8.3001 115.3705 54.1525 39.6361 176.4027 78 F 4.7445 8.8431 119.5159 57.9076 40.2403 175.6628 79 L 4.0403 7.3289 121.8598 57.0174 41.9848 177.3607 80 G 3.9790 8.8857 113.0365 45.7526 0.0000 174.3207 81 T 4.1468 7.7830 116.1844 65.4810 68.7907 174.4967 82 D 5.1143 7.6944 119.1048 52.5872 44.6129 175.0674 83 I 4.4619 8.1586 119.8611 59.8572 41.6226 173.0459 84 D 5.4373 8.5759 126.5520 52.5332 44.5654 174.9893 85 F 5.2808 9.6199 120.1239 55.8975 43.5147 174.1922 86 G 4.7160 9.6852 108.6013 44.8528 0.0000 171.5991 87 K 4.3849 8.9982 122.9134 55.8992 36.0414 176.0748 88 R 3.7724 8.8172 127.5118 57.6896 29.2468 176.4949 89 D 4.8639 8.9967 126.1875 53.9648 40.0167 174.9561 90 T 5.0840 8.2069 117.3884 62.0962 71.5111 172.8084 91 L 5.3661 8.9400 127.6069 53.3488 45.0065 174.9360 92 V 5.0045 9.5670 126.4397 61.2065 34.3501 173.9016 93 E 5.0835 9.6630 127.2921 53.5862 32.7272 175.1214 94 V 4.1890 8.7378 126.5782 61.8405 32.8893 174.8166 95 Q 4.7028 8.6814 128.3246 54.4064 29.4980 175.2386 96 F 5.2540 9.2272 121.9344 57.3139 41.1018 176.1220 97 S 4.6083 8.3386 114.5689 57.0808 65.4578 174.0802 98 N 5.3317 8.5403 114.1953 52.1355 37.3046 174.4394 99 Y 4.0697 7.6733 120.2033 56.9400 39.5360 173.9536 100 P 4.1957 0.0000 0.0000 63.7698 31.8071 176.1588 101 F 4.1079 9.1493 124.7551 61.7995 39.0926 176.6514 102 L 3.5752 7.8600 117.1175 57.7059 41.7019 179.3886 103 L 3.8643 7.7449 119.5522 57.9695 42.1012 178.0818 104 N 4.5178 8.6063 117.3686 57.2484 38.9502 176.6232 105 N 4.2530 8.1470 117.6782 56.0589 38.5126 177.7405 106 T 3.7326 8.0631 118.0379 66.4613 67.9655 176.8690 107 V 4.2571 7.6866 121.5613 65.6627 31.5895 178.3991 108 R 4.0130 7.8739 117.8702 59.0283 29.8382 178.9432 109 S 4.0992 8.4559 113.5561 61.1887 62.4051 175.9173 110 E 3.9467 8.1180 121.3219 59.6419 29.3055 179.4697 111 L 4.0446 7.6477 117.7692 57.6996 41.4258 179.1814 112 F 4.2101 8.1812 119.8413 61.2868 39.2687 175.8962 113 H 4.9346 8.0911 115.6566 54.8732 30.1002 176.5070 *114 K 4.4854 8.0599 119.0627 54.1556 35.4488 178.4735 *123 G 3.7112 8.2329 111.9159 45.1914 0.0000 171.2844 *125 K 4.5906 8.7122 123.8358 55.7342 35.3329 177.1749 126 V 4.9653 7.9925 116.9951 60.2984 35.2488 173.3308 127 A 5.3635 9.0853 123.9905 50.3035 22.3877 174.9640 128 I 5.0034 9.4282 122.9754 59.6252 40.2844 174.6239 129 I 4.9104 8.9360 128.4255 59.6482 39.6631 174.5424 130 I 5.0238 8.8617 128.8806 59.9037 39.3405 175.0660 131 T 5.3114 9.1946 116.5870 59.9680 73.0113 172.4120 132 K 4.7370 8.6481 119.8237 54.6278 35.4575 176.1145 133 G 4.0728 9.2278 109.6609 45.6179 0.0000 173.9124 134 H 4.1811 8.7209 121.0272 55.6272 28.0054 176.0437 *136 F 4.6982 7.6356 117.4164 56.4712 40.5268 175.2493 137 P 4.4498 0.0000 0.0000 63.4529 32.4430 175.3958 138 A 4.9666 8.1501 122.1572 50.9309 21.9083 175.4432 139 S 4.1846 8.8254 111.1783 58.4170 62.8872 173.2821 140 N 4.5925 8.6272 123.2747 54.8417 38.8564 174.8820 141 S 3.9748 9.0486 119.5648 59.2132 60.6707 171.0162 142 S 4.5719 7.6490 114.6026 57.8042 63.4505 174.0289 143 L 4.4542 8.8128 125.1892 55.3104 42.6630 175.6068 144 Y 5.0808 7.9446 121.2156 54.7209 41.7022 175.1442 145 Y 4.3639 9.2594 123.2285 60.6738 38.8470 178.7470 146 E 3.7315 8.6010 118.5249 59.4545 29.0507 179.1904 147 Q 3.6156 7.4312 118.8235 58.8244 29.0806 177.7973 148 A 2.8613 7.3868 121.8330 54.5726 18.1744 179.4499 149 Q 3.9311 7.8640 119.8043 58.6082 29.1119 177.7618 150 N 4.2434 7.9029 118.0631 56.9823 38.9837 176.8239 151 Q 4.0410 7.8777 119.2522 59.0163 28.8222 178.8806 152 L 3.9094 8.1012 120.0490 57.7040 41.5996 179.1426 153 N 4.6894 9.0304 117.0108 56.5007 38.2474 177.6940 154 S 4.2388 8.1610 116.5111 61.6909 63.0247 176.7428 155 L 4.1263 8.1497 121.5465 57.7282 41.3619 179.3233 156 A 3.8271 8.8447 121.2128 55.1732 18.1014 179.0661 157 E 3.7665 8.0890 116.7211 58.6867 29.5236 177.2387 158 Y 4.5597 7.1701 114.4260 57.7627 38.9446 175.5886 159 N 4.0235 7.9056 114.2349 54.4519 36.7105 175.2530 160 V 3.9121 8.0646 119.1715 64.7594 32.4855 175.8299 161 F 5.1086 7.7177 112.0996 54.9329 40.5638 174.0266 162 D 4.9122 8.6618 119.5362 52.6975 40.3658 176.5531 163 V 3.8828 8.0091 120.7246 61.1637 32.1023 173.9687 164 P 4.7392 0.0000 0.0000 62.7778 32.4588 175.2760 165 I 5.1135 8.9512 125.0059 59.5258 41.4153 174.2512 166 R 5.0209 9.2334 127.7010 53.8649 31.9107 174.2974 167 L 5.0206 9.3970 130.2432 54.0517 43.8021 175.1848 168 V 4.8808 9.4625 126.7677 61.0289 34.4805 174.2014 169 G 3.6182 8.7677 115.0584 43.9707 0.0000 172.1060 170 L 4.8803 9.0049 127.3998 54.5083 42.7909 176.4266 171 I 5.2170 8.8494 117.2765 59.7483 41.2792 173.7458 172 E 4.7060 8.2242 120.8910 54.6346 32.5426 174.0722 173 D 4.6206 8.3055 123.1878 53.6797 41.8709 176.6203 174 F 4.3722 8.6823 120.4472 57.6414 39.8187 174.5748 175 E 3.9637 8.7456 118.8600 57.8806 27.5858 175.4392 176 T 4.7830 7.6419 112.0759 61.5207 72.5380 174.3877 177 D 4.8902 8.9334 126.1392 54.6813 41.5670 175.6825 178 I 4.7510 8.8051 116.3352 59.0761 42.0342 173.8640 179 D 4.8912 8.4816 122.6811 54.0450 42.2431 175.6121 180 I 4.8983 8.7235 123.4625 59.3427 41.6819 174.5058 181 V 4.6247 8.5745 125.7453 61.1945 33.9198 173.9606 182 S 5.1509 8.9439 123.6871 56.9888 64.3722 172.9229 183 T 4.9868 8.7239 122.8601 61.9550 72.8144 172.9566 184 T 4.4342 8.7695 120.4384 62.0658 71.6774 172.6020 185 Y 5.1184 8.8070 123.5251 56.4110 40.2646 176.2427 186 A 4.6670 9.3369 126.7378 50.6432 18.7716 173.9011 187 D 5.0156 8.3900 119.3370 52.5410 40.6588 177.1540 188 K 4.1522 8.5988 122.4258 57.5741 33.9347 176.4079 *190 Y 4.5155 8.0383 118.0563 56.3970 38.9849 175.2816 191 S 4.5505 7.9747 113.1281 57.3689 65.4875 173.2426 192 R 5.0397 8.6571 128.0004 54.9625 32.2691 174.8558 193 T 4.8376 8.4786 120.3720 61.9821 73.4162 172.9148 194 I 4.4645 8.4701 125.9504 60.7492 37.3938 175.5518 195 T 4.3919 8.6635 118.1958 62.4933 70.4157 175.0610 196 K 4.5793 7.5971 122.0502 55.3483 35.6715 174.3394 197 R 5.0771 8.2498 125.1032 55.5230 33.1537 173.2433 198 D 4.7250 9.1754 123.7342 53.1547 45.4455 174.1395 199 T 4.8082 8.5095 121.0936 62.4336 69.9910 173.4144 200 V 4.6486 8.3981 121.0374 59.5028 36.0847 174.7314 201 K 4.8509 8.0933 118.7746 55.7364 35.5156 176.6999 202 G 3.3977 7.7969 106.8225 47.5359 0.0000 171.7724 203 K 4.7407 7.7408 118.8781 56.5842 36.7879 174.1071 204 V 4.7712 8.0336 119.7886 61.2824 33.8308 174.3441 205 I 4.7165 8.8658 128.8598 61.6578 39.4491 177.6784 206 D 4.0922 8.7615 127.1140 55.6742 40.1871 176.8737 *217 R 4.0974 8.8721 127.7129 56.5925 31.4381 174.6625 218 G 3.9940 8.4077 107.3657 46.3631 0.0000 172.7685 219 T 4.6693 8.3165 114.8671 61.5659 71.8913 173.6345 220 I 4.4973 8.4981 127.3867 60.6601 38.3084 175.2814 221 V 4.5122 8.9057 127.8250 61.1637 33.9599 174.4349 222 T 4.7270 8.4762 117.0384 60.0960 71.5427 173.9285 223 Y 4.6213 8.2487 119.7965 58.4073 38.1205 175.8213 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 K 8.16 4.53 0.00 1.85 1.81 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 3 I 8.17 5.00 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.93 0.00 0.00 4 D 9.57 5.07 0.00 2.66 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 0.00 0.00 0.00 5 I 8.35 5.23 1.85 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 1.42 0.86 0.77 0.00 0.00 6 T 9.24 4.52 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 0.68 0.00 0.00 7 D 8.39 5.27 0.00 2.42 2.44 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 0.00 0.00 0.00 0.00 8 Y 8.88 4.65 0.00 3.03 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 9 N 9.22 3.88 0.00 2.90 2.89 0.00 0.00 7.16 8.16 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 10 H 8.17 4.33 0.00 3.37 3.33 0.00 6.10 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 11 A 8.03 4.10 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 12 D 8.08 4.20 0.00 2.79 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 13 E 7.94 4.27 0.00 2.01 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 2.49 0.00 14 I 7.46 4.14 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 0.98 0.00 0.00 15 L 7.51 4.08 0.00 1.87 1.60 1.12 0.80 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 16 N 8.87 4.48 0.00 2.86 2.79 0.00 0.00 7.20 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.40 0.00 2.28 2.20 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 18 Q 8.74 4.06 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 19 L 8.22 4.24 0.00 2.08 2.00 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.75 4.42 0.00 3.49 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 21 K 8.25 3.65 0.00 2.03 1.97 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 E 8.20 3.93 0.00 2.44 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 2.42 2.54 0.00 23 I 7.19 3.27 1.50 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.67 0.00 0.00 24 E 7.39 3.34 0.00 1.16 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 2.12 2.22 0.00 25 E 8.32 3.88 0.00 1.92 1.91 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 2.23 2.48 0.00 26 T 7.21 3.84 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 1.17 0.00 0.00 27 L 7.48 4.12 0.00 1.66 1.70 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.82 4.18 0.00 1.57 1.70 0.90 0.79 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 29 K 7.37 4.21 0.00 1.87 1.85 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.76 1.57 7.81 *31 P 0.00 3.95 0.00 2.04 2.01 0.00 3.04 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.77 0.00 32 L 8.00 4.10 0.00 1.67 1.44 0.38 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.38 5.02 0.00 2.75 2.99 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.88 4.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.88 0.00 0.00 35 K 9.06 5.06 0.00 1.93 1.95 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.27 7.81 36 A 8.51 4.51 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 37 S 7.68 4.23 0.00 4.04 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 *45 S 7.33 4.43 0.00 3.83 3.79 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 46 L 8.24 4.76 0.00 1.53 1.60 0.94 0.70 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 47 I 9.26 4.89 2.02 0.00 0.00 0.89 0.00 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5.31 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 1.29 0.00 0.00 132 K 8.65 4.74 0.00 1.05 1.20 0.00 1.35 0.00 0.00 1.90 0.00 0.00 2.59 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 0.21 7.81 133 G 9.23 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 0.00 0.00 0.00 0.00 134 H 8.72 4.18 0.00 2.96 3.30 0.00 5.98 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *136 F 7.64 4.70 0.00 2.86 2.96 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 0.00 137 P 0.00 4.45 0.00 2.14 2.19 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 138 A 8.15 4.97 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 0.00 139 S 8.83 4.18 0.00 3.83 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 0.00 140 N 8.63 4.59 0.00 2.77 2.81 0.00 0.00 7.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 9.05 3.97 0.00 4.19 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 0.00 142 S 7.65 4.57 0.00 4.26 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.81 4.45 0.00 1.78 1.78 0.45 0.77 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 0.00 144 Y 7.94 5.08 0.00 3.15 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 0.00 145 Y 9.26 4.36 0.00 3.08 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 0.00 146 E 8.60 3.73 0.00 2.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 147 Q 7.43 3.62 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 148 A 7.39 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.86 3.93 0.00 1.59 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.16 0.00 150 N 7.90 4.24 0.00 2.91 2.87 0.00 0.00 7.26 6.91 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 0.00 151 Q 7.88 4.04 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 152 L 8.10 3.91 0.00 1.39 0.67 0.77 0.09 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 0.00 153 N 9.03 4.69 0.00 3.00 2.94 0.00 0.00 7.02 8.09 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 0.00 154 S 8.16 4.24 0.00 4.15 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 0.00 155 L 8.15 4.13 0.00 2.08 2.04 0.75 0.88 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 0.00 156 A 8.84 3.83 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.09 3.77 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.11 0.00 158 Y 7.17 4.56 0.00 3.12 2.93 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 0.00 159 N 7.91 4.02 0.00 2.78 2.79 0.00 0.00 6.80 7.25 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 0.00 160 V 8.06 3.91 2.40 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 0.87 0.00 0.00 1.10 0.00 0.00 161 F 7.72 5.11 0.00 3.14 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 0.00 162 D 8.66 4.91 0.00 2.78 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 0.00 163 V 8.01 3.88 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.58 0.00 0.00 164 P 0.00 4.74 0.00 2.21 2.11 0.00 3.81 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 165 I 8.95 5.11 2.15 0.00 0.00 0.60 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 1.09 1.02 0.00 0.00 166 R 9.23 5.02 0.00 1.77 1.79 0.00 2.24 0.00 0.00 2.25 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.00 167 L 9.40 5.02 0.00 2.09 1.96 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 168 V 9.46 4.88 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.21 0.00 0.00 169 G 8.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 9.00 4.88 0.00 1.56 1.63 1.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.85 5.22 1.80 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 1.21 0.62 0.86 0.00 0.00 172 E 8.22 4.71 0.00 2.18 1.73 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 2.21 2.37 0.00 173 D 8.31 4.62 0.00 2.71 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 0.00 174 F 8.68 4.37 0.00 2.98 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 0.00 175 E 8.75 3.96 0.00 2.13 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 2.39 2.46 0.00 176 T 7.64 4.78 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 0.00 177 D 8.93 4.89 0.00 2.62 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 0.00 178 I 8.81 4.75 1.82 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 1.32 0.65 0.97 0.00 0.00 179 D 8.48 4.89 0.00 2.54 2.55 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 0.00 180 I 8.72 4.90 1.75 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 1.00 0.82 0.82 0.00 0.00 181 V 8.57 4.62 1.73 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 0.71 0.00 0.00 0.75 0.00 0.00 182 S 8.94 5.15 0.00 3.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 T 8.72 4.99 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 0.37 0.00 0.00 184 T 8.77 4.43 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 1.20 0.00 0.00 185 Y 8.81 5.12 0.00 2.81 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 0.00 186 A 9.34 4.67 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 0.00 187 D 8.39 5.02 0.00 2.75 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 0.00 188 K 8.60 4.15 0.00 1.88 1.77 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.41 7.81 *190 Y 8.04 4.52 0.00 2.10 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 0.00 0.00 0.00 191 S 7.97 4.55 0.00 3.84 3.72 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 0.00 192 R 8.66 5.04 0.00 1.85 1.80 0.00 3.10 0.00 0.00 2.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 193 T 8.48 4.84 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 0.00 194 I 8.47 4.46 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 0.75 0.00 0.00 195 T 8.66 4.39 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 1.22 0.00 0.00 196 K 7.60 4.58 0.00 1.77 1.56 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 197 R 8.25 5.08 0.00 1.68 1.64 0.00 3.23 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 198 D 9.18 4.72 0.00 2.65 2.37 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 0.00 199 T 8.51 4.81 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 200 V 8.40 4.65 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 0.73 0.00 0.00 0.85 0.00 0.00 201 K 8.09 4.85 0.00 1.84 1.75 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.43 7.81 202 G 7.80 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 0.00 0.00 0.00 203 K 7.74 4.74 0.00 1.82 1.99 0.00 1.37 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.35 7.81 204 V 8.03 4.77 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 0.87 0.00 0.00 0.88 0.00 0.00 205 I 8.87 4.72 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 1.00 0.00 0.00 206 D 8.76 4.09 0.00 2.79 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *217 R 8.87 4.10 0.00 1.76 1.84 0.00 3.05 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.53 0.00 218 G 8.41 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 0.00 219 T 8.32 4.67 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 220 I 8.50 4.50 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.87 0.00 0.00 221 V 8.91 4.51 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 1.05 0.00 0.00 0.96 0.00 0.00 222 T 8.48 4.73 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 1.12 0.00 0.00 223 Y 8.25 4.62 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.