NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4296 8.1633 120.2239 55.3437 34.0090 173.8191 2 N 5.2313 8.4641 117.7469 51.4913 43.3845 171.3098 3 Y 4.9047 9.0379 117.2447 56.4556 42.5791 174.4645 4 S 5.1649 8.6566 114.8035 56.5677 64.5428 175.1472 5 L 3.7789 8.6382 126.1582 57.3903 41.7095 178.3132 6 E 4.1844 7.8578 117.4859 58.3368 29.9171 176.5755 7 D 4.8334 7.5192 116.6295 51.9951 41.0115 174.3682 8 L 4.2690 7.8271 121.3324 53.3632 42.7521 175.6640 9 P 4.4814 0.0000 0.0000 62.6264 31.9698 175.1576 10 N 4.9526 8.3811 116.2272 52.3121 40.5065 173.8349 11 S 4.4614 9.0196 121.5815 57.6943 63.5106 173.5381 12 G 4.0458 7.8704 106.7891 43.2916 0.0000 174.3927 13 K 4.0602 8.8701 120.5506 58.8225 33.1590 175.8011 14 N 5.8789 7.6331 115.2627 49.3082 38.4600 172.4899 15 P 4.5059 0.0000 0.0000 62.6327 33.5092 175.6228 16 R 5.2968 8.6692 120.5626 54.7901 33.7642 175.1153 17 V 4.9818 9.2843 115.4622 59.9046 36.5289 173.7239 18 Y 5.3868 7.9716 119.2682 55.8212 41.9296 174.6626 19 M 5.0843 9.0314 119.9567 53.9832 36.5420 174.4214 20 D 4.9592 9.3334 124.7789 54.5411 42.5606 175.3800 21 I 5.0320 9.0034 123.6038 59.6780 39.7561 174.7776 22 V 4.9753 9.2442 126.9293 61.0908 34.9045 174.1838 23 L 4.7588 8.8120 128.6138 53.7055 45.3100 175.9108 24 N 4.4681 9.4104 124.8700 54.8328 35.7749 174.4251 25 N 4.3231 8.4800 110.3663 53.5592 36.8468 174.1242 26 E 4.6814 7.7784 116.3735 54.0031 31.7832 175.4116 27 I 4.2801 8.4428 124.1573 61.5613 37.3096 175.9243 28 I 4.1266 8.9332 119.6902 60.4021 38.4782 175.6487 29 G 4.1474 6.7991 109.7100 46.3952 0.0000 170.9075 30 R 5.2186 7.7582 119.4955 54.3486 33.1772 174.0262 31 L 4.7792 9.1703 126.3780 53.7341 43.9119 175.4640 32 Q 5.0044 8.7976 122.0688 54.0948 31.7915 174.5880 33 I 4.9020 9.1353 124.6868 59.3335 41.0928 174.1745 34 K 4.8627 9.2717 128.6916 55.0420 33.9259 175.3867 35 L 4.2968 8.5947 127.2761 53.3851 44.5876 175.6808 36 F 5.0155 8.2691 120.8113 55.3361 39.3265 176.1292 37 R 3.8842 8.8927 124.8015 59.0558 30.4634 178.0961 38 D 4.7514 8.2885 115.4817 54.7104 39.8921 177.7811 39 A 4.5181 8.5618 123.9603 54.3925 19.0753 176.2731 40 F 5.5822 8.0632 112.5739 55.8853 42.1656 171.8629 41 P 4.3140 0.0000 0.0000 65.4815 31.5865 177.6381 42 A 4.1912 8.2761 118.8275 54.9414 18.3469 179.7810 43 G 2.6535 6.7357 103.9171 47.2525 0.0000 176.0716 44 V 3.5005 7.6127 120.6729 65.9403 31.5152 178.0258 45 E 3.9482 8.2677 118.3162 59.2807 29.2399 178.8932 46 N 4.0267 8.1789 117.0825 56.4456 39.0850 176.5299 47 F 4.0304 8.1575 122.0077 61.4707 39.5263 177.1692 48 V 3.5685 8.3089 118.0984 66.2803 31.3272 178.0342 49 Q 3.9629 8.3019 117.7845 58.5152 28.5351 178.4651 50 L 3.7796 7.6306 120.1967 57.4519 41.2435 179.5071 51 T 3.7683 7.1742 115.2844 66.5669 67.7719 176.2968 52 N 4.4079 8.2190 118.5317 54.0268 38.1831 176.7360 53 G 4.2197 7.6144 106.5259 46.2417 0.0000 174.3552 54 K 4.3132 7.2814 116.6865 57.1431 33.3179 177.7501 55 T 4.1443 7.7777 115.8594 63.6693 69.0027 172.5875 56 Y 5.1658 8.4570 121.5019 55.4200 41.0373 175.4249 57 R 3.8529 8.3243 117.8507 57.1866 33.1294 175.8196 *73 N 4.7398 7.9402 113.0982 53.1793 40.0845 174.6707 74 R 4.3427 9.0259 123.3925 55.3472 31.0330 175.3875 75 T 5.2666 7.8386 117.4191 59.4383 70.6680 173.4937 76 Y 4.2841 8.3690 122.4707 59.7223 38.4656 175.4610 77 E 4.4079 7.4748 121.2492 57.3695 29.7564 176.5248 78 G 4.0706 9.1867 115.9953 45.4830 0.0000 173.6132 79 C 4.0952 7.9927 117.9441 60.0567 28.6403 173.4705 80 K 4.6147 8.2372 122.7896 55.4863 32.8935 176.8990 81 F 4.2837 9.0303 121.9217 57.3270 38.3496 175.3332 82 H 4.8466 8.5860 122.3543 56.3696 30.0099 175.3350 83 N 5.2237 8.0324 116.4658 51.6156 42.3549 173.8195 84 V 4.9599 8.5084 115.9165 59.6492 36.2216 174.9208 85 L 4.2488 8.7283 126.5796 53.4010 44.9105 174.8114 86 H 4.1368 8.7605 125.7355 58.1746 29.9802 174.2408 87 N 4.1029 9.5678 122.0940 53.9176 36.1507 173.8979 88 N 4.9672 7.2399 113.6339 53.1716 41.0387 173.9858 89 Y 5.3363 6.7578 114.0317 56.4164 42.0527 172.8692 90 I 5.2015 8.8775 112.9554 59.2598 41.5050 174.5054 91 V 4.7362 8.8063 122.2891 61.6729 35.3098 174.2489 92 S 4.3692 8.1908 120.3664 56.5509 66.0700 173.0177 93 G 4.1340 8.5967 107.1407 46.2563 0.0000 175.2239 94 D 4.6687 7.7454 121.7321 53.4396 38.7055 176.1375 95 I 3.7170 7.5101 114.8222 62.2873 38.8200 176.7768 96 Y 4.1598 7.7037 118.7639 58.7315 38.8321 175.2764 *101 S 4.8712 8.3778 125.9723 59.0038 64.0069 172.9595 102 S 4.7344 8.9873 120.7929 57.2575 66.8062 173.2706 103 A 4.8189 8.4841 122.5100 51.5442 20.7757 176.5514 104 G 4.1920 8.3501 106.1429 45.6812 0.0000 172.2776 105 T 4.9934 8.4207 107.3750 60.3314 71.8863 174.9247 106 V 3.7517 8.4267 114.9968 62.9448 32.5813 176.4776 107 Y 5.4464 7.2300 120.0747 57.7031 36.6971 175.2574 108 C 4.3421 8.7870 109.5018 61.0080 27.0270 174.1940 109 D 4.7265 8.0017 114.0202 55.1740 38.7345 174.2387 110 E 4.1541 8.1339 118.7341 55.5917 29.9495 175.2863 111 P 4.5463 0.0000 0.0000 63.4122 32.4555 175.6273 112 I 4.5652 8.7238 123.7513 59.3732 38.6090 173.9823 113 P 4.8005 0.0000 0.0000 61.0202 32.0851 175.3408 114 P 4.0156 0.0000 0.0000 61.8070 30.0107 178.5016 115 V 3.6966 7.0231 117.6432 62.1542 31.0309 174.9273 116 F 4.8997 7.7105 125.3521 56.1976 40.5078 176.8838 117 G 4.7019 8.6463 111.4801 44.4149 0.0000 173.3248 118 D 4.3858 8.8267 117.8484 55.2072 39.7368 175.6721 119 Y 4.7310 7.9089 116.5814 55.8000 41.2598 173.8600 120 F 4.9386 8.5341 122.9842 56.4965 42.0801 173.8941 121 Y 4.1404 7.6167 124.3035 55.0301 39.7388 174.1622 122 P 4.1611 0.0000 0.0000 63.0623 32.4750 175.5776 123 H 5.0235 8.5148 117.5295 56.2044 29.8735 173.8806 124 E 4.6569 8.0697 117.4418 56.1397 31.5660 176.3845 125 S 5.2127 7.6594 113.9354 55.8270 66.1330 173.7355 126 K 4.0963 8.3772 123.7177 57.2289 32.5932 176.7769 127 G 3.8993 8.8831 112.1950 46.5249 0.0000 172.7216 128 L 4.7633 7.8979 119.7280 53.3630 43.4152 175.6495 129 L 5.1045 8.4252 126.0549 54.0166 43.8273 175.3990 130 S 5.0503 9.1430 119.4684 57.0428 67.4238 172.3662 131 L 5.2701 8.6810 120.4804 53.3183 43.9105 175.8532 132 V 4.6778 8.9958 124.0656 60.5288 32.1581 174.1508 133 P 4.3294 0.0000 0.0000 62.8402 32.4772 174.5157 134 Y 5.0476 8.5256 118.2486 55.8119 42.1819 173.7646 135 T 5.0489 8.6850 115.7539 61.9115 71.6017 174.2520 136 D 5.1078 8.8757 126.2655 51.9549 41.9753 176.8125 137 E 4.0540 9.0742 115.6045 58.9641 29.3748 177.6238 138 S 4.4986 8.4519 113.5787 58.1264 63.5432 174.7258 139 G 3.9327 8.3657 108.9656 45.2878 0.0000 173.1711 140 N 4.6154 8.7246 118.0042 52.1423 40.1482 174.4675 141 R 4.3292 8.0752 123.4600 56.3529 31.0665 174.8377 142 Y 4.9489 8.2110 122.4771 56.7518 43.2772 173.2403 143 Y 5.3929 9.3080 117.3306 56.8861 42.3909 174.8185 144 D 4.9005 8.7200 119.7058 52.8947 41.0435 175.4476 145 S 4.5636 8.6255 111.5050 61.1698 64.2920 174.7117 146 T 4.5417 8.7079 119.9964 63.8375 69.1499 173.5026 147 F 5.5318 9.0169 121.0878 55.3655 42.0617 173.2269 148 M 5.3375 9.4423 119.5730 53.9125 35.7706 174.1074 149 I 5.2479 8.6924 125.2474 59.5963 40.8677 175.0319 150 T 4.6541 8.7394 117.4052 61.8771 69.7354 175.2070 151 L 4.3944 9.0832 123.6045 55.6072 42.5128 175.3128 152 D 4.6696 7.5462 117.4258 52.8793 45.1104 173.7181 153 D 4.7138 8.5111 120.5456 53.5840 41.8581 176.7381 154 I 3.9610 8.3317 122.3191 62.2768 37.7335 175.8313 155 R 4.6398 8.9439 120.8689 54.2552 32.6445 174.1006 156 P 4.2528 0.0000 0.0000 65.9129 31.3408 177.8759 157 S 4.3171 8.0184 110.1094 59.1548 63.3860 172.5405 158 N 5.1342 7.9265 118.0380 51.4235 40.0204 174.4886 159 V 4.4789 8.5627 109.4880 61.2911 32.5402 178.4095 160 L 4.1384 8.3042 123.5287 57.7354 41.6142 178.9543 161 D 4.5403 8.0922 116.5826 55.3582 39.3438 176.6249 162 E 4.3650 7.8503 118.3658 56.6396 30.0700 176.6754 163 L 4.1167 7.5312 119.8372 54.2893 42.4226 176.6193 164 D 4.4678 8.6108 122.2345 54.0549 41.8047 176.9518 165 R 4.2086 8.8411 125.9336 59.7459 29.9858 176.9941 166 D 4.7848 8.8259 116.0951 56.0480 40.6999 177.3730 167 Q 4.5745 8.5778 120.9780 55.0415 27.2474 173.1385 168 V 4.2068 8.2551 120.2209 60.4511 33.1584 176.2808 169 V 4.1867 8.3409 126.7583 62.7583 31.8899 175.3160 170 I 4.4024 8.4858 120.0925 59.8610 39.3886 174.7319 171 G 3.0367 6.8620 109.3736 45.9575 0.0000 171.9842 172 Q 4.9577 7.7730 116.7034 54.1945 32.4844 174.4653 173 V 4.2355 8.8490 122.3907 63.0429 31.7216 175.2525 174 Y 4.7318 8.6659 126.0006 56.8526 39.1125 175.9692 175 G 4.0945 6.9635 107.1586 46.7998 0.0000 174.0224 176 G 4.3620 8.9438 111.9413 46.1080 0.0000 175.0764 177 L 3.9546 8.0146 122.1252 57.5726 41.0377 178.9620 178 D 4.6431 8.0030 119.7098 55.5454 39.2101 178.7633 179 V 3.5604 7.7145 120.1817 65.7043 31.5002 177.7280 180 L 3.7964 7.7906 118.2607 57.9495 40.9213 179.0148 181 D 4.2868 8.0851 118.5345 57.2902 40.7618 179.0099 182 K 3.9331 7.7423 118.3187 59.5258 31.9522 179.1593 183 I 3.2051 7.4809 119.8217 64.4027 36.7564 177.8399 184 N 4.1709 7.8359 116.1512 56.8394 39.0190 176.5826 185 S 4.3139 8.2827 116.6411 62.0404 62.8022 176.5490 186 M 4.4273 8.0814 119.3595 56.9152 31.7216 177.6387 187 I 4.5264 6.9354 112.1556 59.2218 38.2394 175.3167 188 K 3.3085 7.3359 122.0060 56.3689 32.2653 174.7054 189 P 4.6371 0.0000 0.0000 62.7252 32.5387 175.2694 190 Y 4.7238 8.1412 116.8633 56.0469 41.9100 174.4518 191 A 4.1437 8.7670 127.5256 54.0244 18.7185 177.8655 192 G 3.8687 8.9858 111.5876 45.0888 0.0000 173.0798 193 R 4.2404 7.6075 120.7975 54.7776 30.4122 175.7089 194 K 4.0751 8.2878 125.0437 55.7319 33.9405 176.4480 195 Y 4.4851 7.8346 119.5641 57.1962 38.5010 174.3457 196 P 4.2573 0.0000 0.0000 63.1031 31.9776 176.1567 197 T 4.3168 7.9546 116.5674 62.3859 68.8230 174.6122 198 F 5.1219 8.4873 125.8345 56.9207 41.2227 175.0693 199 S 5.2430 9.2080 115.3129 57.1059 67.4492 172.5806 200 I 4.6475 8.9772 121.8749 60.4580 38.1947 175.1899 201 G 4.3682 9.0454 118.8584 45.5891 0.0000 173.5128 202 K 4.4497 8.8296 123.2554 57.4904 33.2439 175.6236 203 C 4.9495 8.1631 116.8352 56.7044 33.1682 172.6053 204 G 3.5932 6.7666 105.7400 45.9710 0.0000 171.3382 205 A 5.0240 7.7143 120.5567 49.8803 20.9169 176.7235 206 Y 4.4121 8.3772 119.4241 57.4517 38.9583 175.8657 207 L 3.9794 8.7659 124.1304 55.8595 42.9643 176.0755 208 D 4.7252 8.7682 126.0096 52.8479 41.2083 176.7497 209 S 4.1748 8.5809 123.6973 61.4342 62.9300 176.3983 210 S 4.1091 7.9539 117.5134 61.6460 62.7679 176.2161 211 Q 4.1289 8.5892 119.5533 58.8149 28.4777 178.3120 212 A 4.1862 8.1690 121.7157 53.6806 18.9620 178.2184 213 Q 4.1324 7.7022 114.7496 56.7991 29.1770 177.0516 214 R 4.2003 8.2110 117.2294 56.6587 31.2187 175.1553 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 M 8.16 4.43 0.00 1.57 1.89 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 2 N 8.46 5.23 0.00 2.64 2.78 0.00 0.00 6.77 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.04 4.90 0.00 2.93 3.05 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 0.00 0.00 0.00 4 S 8.66 5.16 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.64 3.78 0.00 1.56 1.56 0.91 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.86 4.18 0.00 1.93 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 0.00 2.36 2.29 0.00 7 D 7.52 4.83 0.00 2.59 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 8 L 7.83 4.27 0.00 1.72 1.63 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.48 0.00 1.95 1.90 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.69 0.00 10 N 8.38 4.95 0.00 2.67 2.73 0.00 0.00 6.92 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 11 S 9.02 4.46 0.00 4.03 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 12 G 7.87 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.87 4.06 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 14 N 7.63 5.88 0.00 2.56 2.68 0.00 0.00 7.30 8.02 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 15 P 0.00 4.51 0.00 2.08 1.98 0.00 3.50 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 2.10 2.22 0.00 16 R 8.67 5.30 0.00 1.94 2.18 0.00 2.88 0.00 0.00 2.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 17 V 9.28 4.98 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 0.73 0.00 0.00 1.11 0.00 0.00 18 Y 7.97 5.39 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 9.03 5.08 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 20 D 9.33 4.96 0.00 2.87 2.65 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 21 I 9.00 5.03 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.88 0.00 0.00 22 V 9.24 4.98 2.18 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 1.04 0.00 0.00 1.03 0.00 0.00 23 L 8.81 4.76 0.00 1.82 1.52 0.40 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 N 9.41 4.47 0.00 2.90 2.86 0.00 0.00 7.20 8.00 0.00 0.00 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 N 8.48 4.32 0.00 2.87 2.94 0.00 0.00 6.97 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 26 E 7.78 4.68 0.00 2.15 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 2.29 2.26 0.00 27 I 8.44 4.28 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.57 1.03 0.00 0.00 28 I 8.93 4.13 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 1.05 0.00 0.00 29 G 6.80 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 30 R 7.76 5.22 0.00 2.02 1.75 0.00 3.15 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 31 L 9.17 4.78 0.00 1.59 1.51 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.80 5.00 0.00 1.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 33 I 9.14 4.90 1.87 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 1.01 0.79 0.72 0.00 0.00 34 K 9.27 4.86 0.00 1.72 1.66 0.00 1.51 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.32 1.31 7.81 35 L 8.59 4.30 0.00 1.54 1.31 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.27 5.02 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.89 3.88 0.00 1.91 1.99 0.00 3.37 0.00 0.00 3.26 7.34 0.00 0.00 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0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.53 7.81 55 T 7.78 4.14 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 1.22 0.00 0.00 56 Y 8.46 5.17 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.32 3.85 0.00 1.71 1.79 0.00 3.30 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.00 *73 N 7.94 4.74 0.00 2.65 2.81 0.00 0.00 6.86 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 74 R 9.03 4.34 0.00 1.63 1.70 0.00 3.03 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 75 T 7.84 5.27 4.16 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 1.21 0.00 0.00 76 Y 8.37 4.28 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.47 4.41 0.00 1.91 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 2.34 2.39 0.00 78 G 9.19 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 79 C 7.99 4.10 0.00 3.08 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 80 K 8.24 4.61 0.00 1.76 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 81 F 9.03 4.28 0.00 3.17 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 82 H 8.59 4.85 0.00 3.12 3.44 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.03 5.22 0.00 2.70 2.90 0.00 0.00 6.90 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 84 V 8.51 4.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.68 0.00 0.00 85 L 8.73 4.25 0.00 1.20 0.32 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 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0.75 0.91 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 0.00 132 V 9.00 4.68 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 0.87 0.00 0.00 1.02 0.00 0.00 133 P 0.00 4.33 0.00 1.93 1.71 0.00 3.95 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 134 Y 8.53 5.05 0.00 3.06 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 0.00 135 T 8.68 5.05 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 1.23 0.00 0.00 136 D 8.88 5.11 0.00 2.86 3.08 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 0.00 137 E 9.07 4.05 0.00 2.13 2.18 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 2.33 2.38 0.00 138 S 8.45 4.50 0.00 4.01 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 0.00 139 G 8.37 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 0.00 140 N 8.72 4.62 0.00 2.93 2.45 0.00 0.00 6.66 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 0.00 141 R 8.08 4.33 0.00 1.64 1.57 0.00 3.19 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.00 142 Y 8.21 4.95 0.00 1.84 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.31 5.39 0.00 3.24 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 0.00 144 D 8.72 4.90 0.00 3.04 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 0.00 145 S 8.63 4.56 0.00 4.01 4.19 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 0.00 146 T 8.71 4.54 4.45 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 0.00 0.00 0.00 1.28 0.00 0.00 147 F 9.02 5.53 0.00 3.22 3.29 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 0.00 148 M 9.44 5.34 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 149 I 8.69 5.25 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.91 0.00 0.00 150 T 8.74 4.65 4.45 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 0.00 0.00 0.00 1.32 0.00 0.00 151 L 9.08 4.39 0.00 1.40 1.63 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.55 4.67 0.00 2.61 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.51 4.71 0.00 2.60 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 0.00 154 I 8.33 3.96 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.93 0.00 0.00 155 R 8.94 4.64 0.00 1.85 1.96 0.00 2.89 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 156 P 0.00 4.25 0.00 2.06 2.18 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 157 S 8.02 4.32 0.00 3.96 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 0.00 158 N 7.93 5.13 0.00 2.98 2.80 0.00 0.00 6.72 7.27 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 0.00 159 V 8.56 4.48 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 0.88 0.00 0.00 1.02 0.00 0.00 160 L 8.30 4.14 0.00 1.73 1.73 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.09 4.54 0.00 2.79 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 0.00 162 E 7.85 4.37 0.00 2.23 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 2.33 2.30 0.00 163 L 7.53 4.12 0.00 1.66 1.60 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.61 4.47 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.84 4.21 0.00 1.84 2.03 0.00 3.38 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 166 D 8.83 4.78 0.00 2.85 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.58 4.57 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 168 V 8.26 4.21 1.79 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 0.52 0.00 0.00 0.33 0.00 0.00 169 V 8.34 4.19 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 0.80 0.00 0.00 0.66 0.00 0.00 170 I 8.49 4.40 1.67 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.68 0.92 0.00 0.00 171 G 6.86 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 0.00 0.00 0.00 172 Q 7.77 4.96 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 173 V 8.85 4.24 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 0.72 0.00 0.00 0.92 0.00 0.00 174 Y 8.67 4.73 0.00 2.94 3.01 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 0.00 175 G 6.96 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 0.00 176 G 8.94 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 0.00 0.00 0.00 0.00 177 L 8.01 3.95 0.00 1.67 1.70 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 178 D 8.00 4.64 0.00 2.92 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 0.00 179 V 7.71 3.56 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 0.94 0.00 0.00 0.88 0.00 0.00 180 L 7.79 3.80 0.00 1.84 1.60 0.91 0.96 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 0.00 181 D 8.09 4.29 0.00 2.84 2.68 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 0.00 0.00 0.00 0.00 182 K 7.74 3.93 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.65 7.81 183 I 7.48 3.21 1.61 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.84 0.20 0.00 0.00 184 N 7.84 4.17 0.00 2.68 2.88 0.00 0.00 7.36 7.38 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 0.00 185 S 8.28 4.31 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 0.00 186 M 8.08 4.43 0.00 2.21 2.51 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.64 0.00 187 I 6.94 4.53 1.18 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 1.58 0.50 0.95 0.00 0.00 188 K 7.34 3.31 0.00 1.68 1.70 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.94 1.07 7.81 189 P 0.00 4.64 0.00 2.19 2.12 0.00 3.43 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 190 Y 8.14 4.72 0.00 3.00 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 0.00 191 A 8.77 4.14 1.27 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 0.00 0.00 0.00 192 G 8.99 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 0.00 0.00 0.00 193 R 7.61 4.24 0.00 1.83 2.12 0.00 3.35 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 194 K 8.29 4.08 0.00 1.82 1.68 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.42 7.81 195 Y 7.83 4.49 0.00 3.05 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 0.00 196 P 0.00 4.26 0.00 1.59 1.90 0.00 3.96 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 197 T 7.95 4.32 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 1.25 0.00 0.00 198 F 8.49 5.12 0.00 3.13 3.01 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 0.00 199 S 9.21 5.24 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.65 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.29 0.95 0.00 0.00 201 G 9.05 4.37 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 0.00 202 K 8.83 4.45 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.50 7.81 203 C 8.16 4.95 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 G 6.77 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 0.00 0.00 0.00 205 A 7.71 5.02 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 0.00 206 Y 8.38 4.41 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 L 8.77 3.98 0.00 1.71 1.67 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 208 D 8.77 4.73 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 S 8.58 4.17 0.00 4.10 4.12 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 0.00 210 S 7.95 4.11 0.00 3.87 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 0.00 211 Q 8.59 4.13 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 212 A 8.17 4.19 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 0.00 213 Q 7.70 4.13 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.68 2.36 0.00 214 R 8.21 4.20 0.00 1.76 1.80 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 * Residues marked with a * may have inaccurate shift predictions.