NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7351 8.4545 109.7332 45.5143 0.0000 177.3097 *2 T 4.0507 8.6153 115.4689 60.1202 69.5458 174.1029 3 K 4.0059 8.6808 126.8386 53.5276 32.0695 173.4179 4 P 4.4087 0.0000 0.0000 61.2941 31.9088 176.3255 5 K 4.1267 8.5223 123.1194 56.5413 32.8165 175.8050 6 E 4.8715 8.3912 123.9212 53.8574 32.4737 174.6011 7 P 4.4573 0.0000 0.0000 64.6313 31.9471 175.5061 8 T 4.8706 7.7136 106.3881 58.4710 71.7298 173.1374 9 A 4.2983 8.6801 122.7978 52.6122 18.7098 177.5959 10 L 4.2513 7.5644 116.8621 53.7875 42.5343 177.0899 11 D 4.5751 8.2933 122.5555 53.3940 39.9543 175.2209 12 L 4.5544 7.6022 125.2210 51.0788 42.5316 176.5737 13 P 4.4371 0.0000 0.0000 62.1637 31.9768 175.4085 *15 A 4.2068 8.2786 121.8988 53.0993 18.4706 175.7868 16 D 4.1270 8.3464 108.8299 57.2135 40.2394 171.5165 17 P 4.5451 0.0000 0.0000 61.6649 31.7036 176.7143 18 L 4.1475 8.2821 123.5438 53.5862 42.4551 176.1461 19 P 4.3200 0.0000 0.0000 62.9047 33.0455 177.2699 20 D 4.3744 8.7280 121.4302 57.9361 40.9493 179.3203 21 E 3.9540 8.1213 118.1798 59.5697 29.3688 179.4139 22 T 3.8011 7.6870 115.4883 66.1042 68.6572 176.3754 23 Q 3.9166 8.0385 121.6179 59.3027 29.0370 178.7761 24 K 4.3601 8.2226 120.8030 59.1537 32.0712 178.6804 25 Y 4.2218 7.9701 119.4378 60.9227 38.7545 178.1835 26 F 4.3706 8.6158 118.8241 60.4870 38.8020 177.5412 27 E 4.0446 8.3345 118.5593 59.3445 29.1385 179.4542 28 I 3.7173 7.6853 119.9068 64.4547 37.1534 178.0891 29 C 3.9194 7.9091 117.6345 62.9256 27.9450 175.8941 30 Q 3.8624 7.9564 120.9234 59.1736 28.3195 178.2474 31 E 3.8763 7.8679 119.1235 59.2824 29.8522 178.4473 32 K 4.1185 8.1928 118.7188 58.5762 32.3680 177.2333 33 L 4.4884 8.5460 116.9302 53.7870 43.4763 177.6101 34 G 3.5904 7.9781 106.0517 45.7309 0.0000 173.5860 *36 V 3.5137 7.4539 117.8378 61.3431 31.6508 173.2697 37 P 4.5628 0.0000 0.0000 62.9850 31.9444 177.7258 38 N 4.4734 9.6535 120.8263 56.1449 38.2866 178.0528 39 V 3.4886 8.3452 121.1400 64.8264 31.3724 178.5323 40 L 4.2015 8.1219 119.5717 57.5747 41.2876 179.5223 41 K 4.2897 8.0724 116.8685 59.3027 32.0324 178.7624 42 A 4.1397 7.8299 120.6714 55.2084 18.7568 178.7385 43 Y 4.0965 8.0302 113.5772 59.4921 38.0040 177.1574 44 A 4.3244 7.8135 120.6000 53.3478 18.5718 178.2250 45 F 4.2952 8.2358 112.0657 58.5279 38.5625 175.5287 46 N 4.6249 7.3693 119.8740 50.9267 41.4861 174.9752 47 V 3.6221 8.3118 129.0158 64.5872 31.6165 178.0511 48 E 3.9262 8.1496 119.1642 59.2614 29.3512 179.2165 49 K 4.0131 8.1096 118.3506 59.2940 32.0460 179.1801 50 L 4.0042 7.9222 120.6396 58.2084 41.9514 178.7064 51 N 4.1818 8.5191 116.6143 56.3962 38.2719 177.3011 52 A 3.9768 7.7891 120.9440 54.7563 18.5032 179.3028 53 F 4.1318 8.0308 118.7732 61.7369 39.7090 177.2859 54 T 3.9558 8.2380 109.4234 64.4735 68.6249 176.3777 55 A 3.9873 7.8772 119.5311 53.0899 17.6373 178.1967 *57 Y 3.6032 7.7370 122.0130 58.6725 40.7387 177.1333 58 N 4.3109 8.4835 117.3143 56.4684 38.9515 176.8823 59 D 4.2057 7.7657 116.0394 57.4723 41.1993 177.4478 60 L 3.9509 6.7651 113.8268 56.0511 41.0358 177.8868 *62 L 4.2126 7.8049 118.8246 54.2170 43.3910 177.1098 63 G 3.8615 7.5924 107.5878 44.0913 0.0000 172.8152 64 E 3.9882 8.4729 119.8885 56.4894 30.0169 175.7679 65 S 4.5579 7.9295 116.3750 58.2778 64.8655 175.7089 66 Q 4.3838 8.7389 123.1642 55.9529 28.9433 175.9444 67 L 4.4343 7.7189 119.7249 53.9870 42.5669 177.6153 68 S 4.3957 9.3124 119.5789 57.8139 65.0329 175.5785 69 K 3.8733 8.5134 121.3398 59.6016 31.5361 179.1652 70 L 3.9199 7.8156 118.5987 58.3099 42.1216 178.2559 71 E 4.1045 8.1591 117.3360 59.6895 29.7156 179.3993 72 R 4.1067 7.9482 117.7358 58.8171 30.1480 179.3222 73 E 4.1363 8.0715 118.7131 56.2553 29.4333 179.2723 *75 I 3.8799 7.8198 120.7364 61.3872 39.4721 177.9573 76 A 3.1626 7.6282 121.8117 55.0624 17.8067 179.9478 77 V 3.3861 7.4665 116.5679 65.8620 31.5426 178.4738 78 V 3.4575 7.4861 117.6075 65.7826 31.4639 177.7824 79 V 3.5087 7.7619 118.1187 66.4352 31.3890 178.2079 80 S 4.7181 8.1315 116.0731 61.0503 62.6135 176.7821 81 S 4.1268 8.3669 116.2518 61.4845 61.9535 176.3142 82 I 3.8040 7.5692 121.4312 64.1177 36.9613 177.3523 83 N 4.5978 8.1904 114.3279 52.3097 39.3597 174.9065 84 K 3.7176 7.5859 118.7925 57.3393 30.3453 176.8884 85 C 4.4635 8.0578 119.3228 58.0590 31.8535 172.0138 86 F 4.2672 8.8836 130.6054 61.6500 38.9062 175.7494 87 Y 3.7617 8.2205 118.2495 61.2909 38.5228 178.0447 88 C 4.3284 8.2108 116.7471 62.5882 28.4018 175.9573 89 L 3.9819 8.1540 121.1023 57.5117 41.0683 179.7713 90 V 3.2576 7.4348 117.9823 65.7166 31.3318 178.0543 91 A 2.5800 7.4044 120.6615 54.9086 18.0589 179.1241 92 H 4.3032 8.3428 114.6887 57.6946 28.9814 178.0109 93 G 3.6653 7.8152 107.7932 47.8510 0.0000 175.3164 94 A 4.1047 7.6244 122.9199 54.8269 18.3390 179.5110 95 A 3.8346 7.5382 119.2507 55.3491 18.4880 180.0564 96 V 3.4774 8.0002 116.9520 66.1469 31.4528 178.4672 97 R 3.9107 8.1114 117.9004 59.1527 29.6630 178.7152 98 Q 3.1716 7.8608 118.6183 59.1034 29.0782 178.2622 99 L 4.0584 7.9584 119.0342 56.7160 41.7578 178.6434 100 S 4.5743 7.8766 112.5861 57.2361 63.8136 174.4896 101 G 3.9496 7.7893 109.9424 46.4035 0.0000 173.9714 102 D 4.6468 7.6311 119.2490 50.1721 42.0414 173.2137 103 P 4.3140 0.0000 0.0000 65.3486 31.3027 177.5723 104 Q 4.0133 7.7703 117.0937 58.8900 28.9759 177.7495 105 L 4.2034 7.8517 120.5876 58.0429 42.4490 178.7480 106 G 3.8672 8.1083 105.2093 47.7317 0.0000 175.2554 107 E 4.0514 7.6438 118.2770 56.6400 29.7237 178.0728 *109 L 4.4273 7.9123 121.0355 54.9963 43.5695 178.3733 110 V 3.5273 7.6691 115.2222 64.3073 31.4683 175.3619 *112 N 4.5057 7.8912 117.2294 53.8993 38.1815 173.8969 113 Y 4.2829 8.5117 124.6145 59.4714 38.3074 178.8792 114 R 3.5312 7.0227 118.7501 58.2674 30.0871 177.8765 115 V 3.7944 7.3965 109.8043 62.2010 32.0246 176.3953 116 A 4.2199 7.6863 124.1494 51.2860 18.9492 176.7567 117 P 4.5795 0.0000 0.0000 61.5486 30.0760 175.5304 118 L 4.5440 7.4765 124.3955 54.0081 43.7803 177.0609 119 D 4.5990 8.3069 120.5600 53.1053 41.5280 177.2612 120 A 3.9184 8.4560 121.9950 55.1441 18.1224 179.7740 121 R 3.8211 7.9260 115.9030 60.0608 30.1812 178.3562 122 Q 4.2624 8.5382 116.4461 58.7775 28.9271 178.2887 123 R 4.1996 8.2588 120.1206 59.1823 30.4121 179.1698 124 V 4.0885 8.3929 113.5670 61.4261 31.5523 178.2751 *126 L 4.1204 7.9402 119.9887 54.9229 43.8967 179.4050 127 D 4.5544 8.4071 119.9724 56.7006 40.4278 178.6013 128 F 3.9802 8.2623 120.0794 61.1864 39.4968 176.6391 129 A 4.0967 8.0690 118.4293 55.0868 18.3960 178.9289 130 A 4.0598 8.0560 119.3288 54.9768 18.4801 181.1077 131 K 4.1799 8.0840 117.9400 56.9180 32.0573 178.9505 *133 T 4.2466 7.8770 115.3920 63.1396 70.3288 175.7240 134 R 4.1015 8.1789 118.7607 58.5943 31.2317 177.4167 135 A 4.6382 8.2016 119.2821 51.0394 20.6925 177.1878 136 S 3.9663 7.9143 118.8419 60.7207 63.6724 177.3722 137 A 4.0556 7.9254 122.4295 54.2950 18.2150 177.5008 138 E 4.4361 7.8680 113.7363 56.1556 29.9577 176.4756 139 I 4.0152 7.3966 121.3963 61.1893 37.7687 175.0741 140 E 4.8213 9.2052 123.5524 53.5645 33.3494 176.4597 141 E 3.9736 8.8818 119.3337 59.8132 29.4073 178.6173 142 A 4.0745 8.0453 120.1242 55.1561 17.9723 179.1955 143 D 4.4545 8.1694 117.6724 57.7349 40.9487 179.1973 144 R 3.9787 8.1307 118.1484 59.1003 30.0584 178.5224 145 E 4.0328 8.4020 119.2830 58.8348 29.7013 178.9028 146 V 3.6549 7.8363 118.6612 65.9671 31.6212 177.9469 147 L 4.2645 7.6291 117.4606 58.1032 41.4740 179.8196 148 R 4.7766 7.9994 119.1784 58.7231 29.7693 178.7115 149 S 4.3202 8.3353 111.9069 60.1366 62.3090 174.0799 150 H 4.7222 7.6825 116.5329 56.0632 29.1617 174.5962 151 G 3.8552 8.0498 107.2970 45.0271 0.0000 174.3993 152 F 4.6424 7.9592 120.0036 56.9294 39.8767 175.6223 153 N 5.1013 8.8373 123.8274 52.0316 40.7001 175.6112 154 D 4.4419 8.4860 118.6982 57.3931 40.8649 178.7556 155 R 3.9828 8.0424 119.1171 59.4052 30.0692 178.1217 156 D 4.4225 8.7353 119.0910 57.4356 40.7771 178.7560 157 I 3.4192 7.8466 120.2816 63.9543 37.0315 178.1246 158 W 4.1720 8.3384 129.1384 60.7566 30.4759 177.7269 159 D 4.2953 8.3918 118.6597 57.4141 40.1724 178.8693 160 I 3.5795 8.0341 120.4726 64.2264 36.9949 178.3276 161 A 3.9792 8.1986 121.9706 55.2552 18.1335 179.5080 162 N 4.0555 7.8738 115.0438 56.0361 38.6763 177.8885 163 V 3.5881 7.8074 119.7351 66.2832 31.6802 178.0455 164 T 4.0222 8.1504 115.6742 66.8012 68.1381 176.6966 165 G 3.6087 8.1394 106.3458 47.7464 0.0000 174.9350 166 F 4.2348 8.3134 122.4482 61.2458 39.6363 177.0672 167 F 4.1106 8.0795 117.8402 59.0603 37.0634 177.4964 168 N 4.6786 7.9104 115.6492 53.8648 38.0267 176.9088 *170 T 4.4724 7.9357 113.0911 61.7497 71.1483 175.5578 171 N 4.4061 8.5069 120.0133 56.3624 38.3924 177.5717 172 R 3.9601 7.4960 117.9193 59.0986 30.2748 179.2517 173 V 3.5271 7.7188 117.3767 65.8406 31.3981 177.7948 174 A 3.8788 7.9632 119.4665 55.4094 18.4474 179.5602 175 S 4.2637 8.4256 113.7684 61.6615 62.6912 176.8177 176 A 4.0825 8.3498 123.1464 54.2536 18.3085 178.6676 177 T 4.2250 7.8275 106.1547 59.5002 69.4582 170.8988 178 A 3.6943 7.3143 131.4929 51.3804 19.2532 174.9380 *181 P 4.2246 0.0000 0.0000 61.9540 32.6344 176.2641 182 N 4.3183 8.7055 117.2297 53.5740 38.6316 176.1827 183 A 4.1913 8.6885 124.2064 55.2192 17.9446 179.6914 184 E 3.9017 8.0046 116.8136 59.5559 29.5997 178.6918 185 Y 4.2089 7.6857 117.0618 61.4760 37.6100 178.3985 186 H 4.3306 7.8233 115.7723 58.3821 28.9495 176.6043 187 G 3.9209 7.3391 106.1150 45.4872 0.0000 173.6916 188 Q 3.7665 7.6899 119.2924 56.2706 29.3964 175.7416 189 F 3.9614 7.7998 118.6721 58.8389 36.5110 175.6251 190 R 4.2558 8.0718 123.5324 56.4637 30.0782 176.7932 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 0 G 8.45 3.74 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 0.00 0.00 0.00 *2 T 8.62 4.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 K 8.68 4.01 0.00 1.76 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.05 7.81 4 P 0.00 4.41 0.00 2.08 2.05 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 5 K 8.52 4.13 0.00 1.71 1.92 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.41 7.81 6 E 8.39 4.87 0.00 1.98 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 2.26 2.29 0.00 7 P 0.00 4.46 0.00 2.25 2.21 0.00 3.71 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 1.98 1.98 0.00 8 T 7.71 4.87 4.43 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 1.12 0.00 0.00 9 A 8.68 4.30 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 10 L 7.56 4.25 0.00 1.55 1.48 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.29 4.58 0.00 2.57 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 12 L 7.60 4.55 0.00 1.36 1.11 0.33 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.44 0.00 2.19 2.10 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 *15 A 8.28 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.13 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 4.55 0.00 2.18 2.13 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 18 L 8.28 4.15 0.00 1.63 1.56 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.32 0.00 2.09 1.95 0.00 3.55 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 2.06 2.16 0.00 20 D 8.73 4.37 0.00 2.75 2.73 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 21 E 8.12 3.95 0.00 1.93 1.96 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 2.38 2.32 0.00 22 T 7.69 3.80 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 0.55 0.00 0.00 23 Q 8.04 3.92 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 24 K 8.22 4.36 0.00 2.10 1.91 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.33 7.81 25 Y 7.97 4.22 0.00 3.15 3.11 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 0.00 26 F 8.62 4.37 0.00 3.29 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 27 E 8.33 4.04 0.00 2.26 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 2.49 0.00 28 I 7.69 3.72 1.96 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 1.75 1.02 0.90 0.00 0.00 29 C 7.91 3.92 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.96 3.86 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 31 E 7.87 3.88 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 32 K 8.19 4.12 0.00 1.95 1.95 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 33 L 8.55 4.49 0.00 1.64 1.65 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.98 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 *36 V 7.45 3.51 1.80 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 -0.11 0.00 0.00 0.74 0.00 0.00 37 P 0.00 4.56 0.00 2.29 2.17 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 38 N 9.65 4.47 0.00 3.06 3.00 0.00 0.00 6.47 8.18 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 39 V 8.35 3.49 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 1.02 0.00 0.00 0.67 0.00 0.00 40 L 8.12 4.20 0.00 1.84 2.07 1.02 0.98 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 41 K 8.07 4.29 0.00 1.88 1.97 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.50 7.81 42 A 7.83 4.14 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.03 4.10 0.00 2.99 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 44 A 7.81 4.32 1.61 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 0.00 0.00 45 F 8.24 4.30 0.00 3.27 3.20 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 46 N 7.37 4.62 0.00 2.17 1.81 0.00 0.00 6.77 7.12 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 47 V 8.31 3.62 1.99 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 0.00 *57 Y 7.74 3.60 0.00 2.49 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.48 4.31 0.00 2.86 2.88 0.00 0.00 6.73 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 59 D 7.77 4.21 0.00 2.58 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 60 L 6.77 3.95 0.00 1.02 1.32 0.54 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *62 L 7.80 4.21 0.00 1.80 1.79 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.59 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 64 E 8.47 3.99 0.00 1.93 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 2.29 2.25 0.00 65 S 7.93 4.56 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.88 0.00 0.00 76 A 7.63 3.16 0.26 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 77 V 7.47 3.39 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 1.06 0.00 0.00 0.90 0.00 0.00 78 V 7.49 3.46 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 0.46 0.00 0.00 0.67 0.00 0.00 79 V 7.76 3.51 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 80 S 8.13 4.72 0.00 3.99 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 81 S 8.37 4.13 0.00 4.00 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 82 I 7.57 3.80 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.92 0.00 0.00 83 N 8.19 4.60 0.00 2.90 2.89 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 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128 F 8.26 3.98 0.00 3.07 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 0.00 129 A 8.07 4.10 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 0.00 130 A 8.06 4.06 1.38 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 0.00 0.00 131 K 8.08 4.18 0.00 1.81 1.66 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.40 7.81 *133 T 7.88 4.25 4.35 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 1.25 0.00 0.00 134 R 8.18 4.10 0.00 1.86 1.97 0.00 3.22 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 135 A 8.20 4.64 1.18 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 0.00 0.00 0.00 136 S 7.91 3.97 0.00 3.94 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 0.00 137 A 7.93 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 7.87 4.44 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 139 I 7.40 4.02 1.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.25 0.90 0.00 0.00 140 E 9.21 4.82 0.00 1.96 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 2.39 2.36 0.00 141 E 8.88 3.97 0.00 2.11 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 2.41 2.49 0.00 142 A 8.05 4.07 1.36 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 0.00 143 D 8.17 4.45 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.98 0.00 2.07 2.00 0.00 3.20 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 145 E 8.40 4.03 0.00 2.12 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 2.32 2.38 0.00 146 V 7.84 3.65 2.35 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 1.11 0.00 0.00 1.04 0.00 0.00 147 L 7.63 4.26 0.00 1.83 1.68 -0.35 0.73 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 0.00 148 R 8.00 4.78 0.00 2.17 2.00 0.00 3.15 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 149 S 8.34 4.32 0.00 4.00 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 0.00 150 H 7.68 4.72 0.00 3.32 3.18 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.05 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 0.00 152 F 7.96 4.64 0.00 3.23 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.84 5.10 0.00 3.03 3.00 0.00 0.00 6.70 8.22 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 0.00 154 D 8.49 4.44 0.00 2.80 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 0.00 155 R 8.04 3.98 0.00 1.92 2.11 0.00 3.29 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 156 D 8.74 4.42 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.85 3.42 1.99 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 0.96 0.71 0.00 0.00 158 W 8.34 4.17 0.00 3.44 3.30 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 0.00 159 D 8.39 4.30 0.00 2.94 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 0.00 160 I 8.03 3.58 1.71 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.42 0.86 0.00 0.00 161 A 8.20 3.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 N 7.87 4.06 0.00 2.48 2.63 0.00 0.00 6.66 7.21 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 0.00 163 V 7.81 3.59 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 1.18 0.00 0.00 0.93 0.00 0.00 164 T 8.15 4.02 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 1.22 0.00 0.00 165 G 8.14 3.61 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 0.00 0.00 0.00 166 F 8.31 4.23 0.00 2.84 3.02 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 0.00 167 F 8.08 4.11 0.00 3.23 3.11 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 0.00 168 N 7.91 4.68 0.00 2.91 2.81 0.00 0.00 6.54 7.06 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 *170 T 7.94 4.47 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 0.46 0.00 0.00 171 N 8.51 4.41 0.00 2.80 2.97 0.00 0.00 6.98 7.26 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 0.00 172 R 7.50 3.96 0.00 1.84 1.97 0.00 3.24 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 173 V 7.72 3.53 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 0.96 0.00 0.00 0.95 0.00 0.00 174 A 7.96 3.88 1.30 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 0.00 0.00 0.00 175 S 8.43 4.26 0.00 3.97 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 0.00 176 A 8.35 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.23 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 1.15 0.00 0.00 178 A 7.31 3.69 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 *181 P 0.00 4.22 0.00 1.90 1.53 0.00 4.05 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 0.00 182 N 8.71 4.32 0.00 2.41 2.80 0.00 0.00 6.89 7.74 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 0.00 183 A 8.69 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 0.00 184 E 8.00 3.90 0.00 1.77 1.83 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 2.28 2.37 0.00 185 Y 7.69 4.21 0.00 2.88 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 0.00 186 H 7.82 4.33 0.00 3.19 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 7.34 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 0.00 0.00 0.00 188 Q 7.69 3.77 0.00 2.19 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.78 0.00 0.00 0.00 0.00 0.00 1.98 2.37 0.00 189 F 7.80 3.96 0.00 3.25 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 0.00 190 R 8.07 4.26 0.00 1.80 1.85 0.00 3.43 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.