NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4845 8.3344 115.4174 57.9475 64.3698 173.4046 -1 N 4.9063 7.8641 116.9857 53.0396 40.4104 174.0824 0 A 4.0864 9.1261 123.9466 55.0992 19.7477 180.1079 1 L 4.0928 7.8408 115.1692 57.3819 41.8151 179.4560 2 F 4.2608 8.0020 117.7860 60.4268 38.9892 177.5121 3 S 4.2067 7.9040 113.1221 61.9306 62.5967 176.9164 4 S 4.2133 8.0437 118.1896 60.8215 62.4971 176.6711 5 R 3.8977 7.9113 121.8110 59.2397 29.6804 178.2184 6 D 4.3552 8.2521 118.6961 57.5634 40.8642 178.5509 7 I 3.6995 7.7437 120.2022 64.5780 37.1316 178.1989 8 L 3.9273 8.2453 121.1637 58.0010 42.0124 178.5587 9 E 3.9172 8.3010 119.3033 59.3486 29.5986 179.1043 10 V 3.5898 7.6108 118.0431 65.8145 31.7135 177.6589 11 L 3.9503 8.1132 120.2588 58.4375 41.7066 179.0492 12 Q 4.0467 8.3312 117.1906 58.8069 28.6361 178.0626 13 D 4.4471 7.6820 118.0963 57.4716 41.5263 178.1089 14 I 3.8668 7.8717 120.2922 64.2830 36.9596 177.4712 15 H 4.3867 7.7928 116.7124 56.9541 29.6330 176.5657 15 E 4.0067 7.7928 118.7124 58.5541 30.5330 179.0657 18 T 4.5106 7.6150 107.0321 60.5772 70.6873 175.6582 19 G 3.7398 8.4292 108.7976 45.2109 0.0000 172.8701 20 E 4.6512 7.6272 119.1992 55.7181 31.4516 176.3244 21 T 4.3663 8.1614 117.1906 64.2750 69.4925 174.1074 22 V 5.0506 8.6774 118.4827 59.6809 35.7235 174.5338 23 A 5.1639 9.1126 124.3242 50.6491 22.7261 175.3792 24 I 4.8403 9.0672 120.2765 59.6376 39.9732 174.9657 25 A 5.1165 8.9598 126.7653 50.8895 23.2741 174.5865 26 T 5.0816 9.2432 113.9199 59.8175 71.9042 171.9075 27 K 4.7582 8.5003 123.7226 55.0584 33.7911 175.8196 28 N 4.7826 9.0611 125.2913 52.2262 41.6109 176.0167 29 D 4.4052 9.2578 130.1652 55.1523 40.1158 174.0634 30 I 4.3145 8.3210 116.0128 60.4651 40.2209 173.0149 31 Y 5.3787 7.6691 118.1167 56.0584 41.3892 174.6452 32 L 4.5852 9.0265 125.2453 54.9345 43.2101 175.9476 33 Q 4.3817 8.7727 126.4492 54.4741 32.4225 173.3211 34 Y 4.7881 8.4240 124.3190 58.0535 38.2482 175.5958 35 I 4.1294 8.8123 125.6447 63.8910 38.5436 176.5018 36 Q 4.5545 7.6722 119.3291 55.2278 32.2404 172.9506 37 I 4.9485 8.4991 126.4091 59.4723 40.7820 174.8095 38 I 4.3640 8.4198 126.6365 58.9901 39.6818 174.7641 39 E 4.2412 8.8705 128.5633 56.3667 29.9086 176.5877 40 S 4.5162 8.8499 120.9731 59.0061 63.1131 174.1647 41 V 4.3049 8.4353 116.9014 61.2576 32.0365 176.1234 42 H 4.3298 8.0871 118.1005 55.2825 29.1298 175.4869 43 A 3.9669 8.7753 126.6169 54.5040 18.3749 177.3137 44 L 4.3700 7.5023 117.9540 53.8963 42.3905 175.2565 45 R 4.2060 7.7434 120.6362 55.8814 31.5388 173.6934 46 F 4.6349 8.4094 117.0617 56.1071 40.9285 174.9700 47 H 4.6993 8.4391 121.9605 55.0692 30.7152 174.9303 48 V 3.9224 7.9336 126.1045 62.2343 32.2598 174.3938 49 D 4.8227 8.5509 125.9267 52.8874 42.0367 176.0188 50 E 4.3410 8.7217 125.9507 58.3035 30.0662 177.4032 51 N 4.4897 8.2038 114.4969 54.5705 39.1281 175.3784 52 A 3.9246 7.4752 121.1122 52.8601 18.7468 177.4252 53 I 4.0394 8.1338 122.9359 60.4382 37.6009 175.4245 54 R 4.6558 8.2727 127.4784 53.4887 31.6681 174.2995 55 P 4.8533 0.0000 0.0000 62.3953 32.4549 177.3928 56 L 3.9350 8.7238 122.6706 58.4378 42.0227 179.8202 57 T 4.4300 7.1335 110.6944 61.1077 67.8537 173.9452 *59 S 3.7785 7.8418 114.9904 58.6602 63.7260 174.1508 60 S 2.9824 7.8823 120.6222 61.2016 63.1222 175.0769 61 N 4.3176 8.2454 117.6000 56.0741 38.3579 176.1857 62 G 4.3131 7.7521 104.1619 48.1585 0.0000 174.8376 63 W 4.4248 7.6059 118.9014 57.7572 29.7194 176.7503 *65 L 4.1242 7.8514 117.2846 54.7367 42.3496 178.6467 *67 S 4.4463 8.1119 113.8240 58.2293 64.6261 173.5822 68 T 4.1975 7.4485 111.5400 62.0867 69.0852 174.0248 *70 N 4.5512 7.8886 119.7940 53.9238 38.7562 173.9001 71 D 4.3912 8.3388 115.8702 56.8023 41.3370 178.1576 72 K 4.1357 8.0622 116.8407 56.7481 32.0802 176.9493 73 A 4.5064 7.7763 119.3109 53.9342 20.4916 179.2746 74 I 3.7603 7.4112 118.0447 64.6421 37.3271 178.1799 75 D 4.3858 7.9802 118.4881 57.4851 41.1280 177.8318 76 N 4.3259 8.1115 117.0205 56.9034 38.9897 176.5530 77 T 3.8321 7.5398 115.9036 66.8177 68.4364 176.5983 78 V 3.6708 7.6294 119.4367 65.6108 31.3418 178.1348 79 R 3.9248 7.8858 118.2118 59.2362 30.4894 178.0549 80 R 3.8924 7.9801 117.6939 59.5892 30.0747 178.8298 81 A 3.8979 8.1713 120.1900 55.0139 18.3274 179.2727 82 N 4.2263 7.9111 115.0548 56.8121 38.4934 177.7383 83 T 3.5455 7.5261 110.3248 64.7605 68.7368 176.1589 84 I 3.8464 7.0318 121.2326 64.2859 37.5900 177.7522 85 T 4.3052 7.7911 108.7764 62.7609 69.2408 176.6600 86 Q 4.3846 8.9307 122.4465 58.5266 28.4472 177.8528 87 K 4.2536 7.9347 116.7043 57.4655 32.1321 177.2746 88 D 4.8985 8.3450 118.7257 53.4434 41.7067 176.9879 89 G 3.7893 8.3409 108.4557 45.2551 0.0000 173.4673 90 I 3.8393 7.3004 119.8993 59.2697 37.9137 175.2207 91 R 4.1792 7.8951 128.0474 54.5281 31.0440 173.5213 92 F 5.0915 8.2119 123.9399 55.5721 39.9075 176.3078 93 E 4.0707 8.7661 125.6494 56.0802 29.5228 176.7564 94 V 3.6348 7.9087 121.4044 65.2548 31.7301 176.2358 95 D 4.4037 8.3104 124.8801 56.3622 40.1589 177.0980 96 D 4.3744 7.1126 120.6882 54.4898 39.5810 176.0497 *99 A 4.2901 7.6665 123.3373 51.9864 21.4739 179.2843 100 R 3.7815 7.7366 115.3074 59.4946 29.9659 178.7472 101 I 3.6929 7.4513 119.1003 64.3551 37.2366 178.0752 102 R 3.8570 7.8899 118.3400 59.5600 29.9375 178.5204 103 Q 3.9278 8.0661 118.9689 59.2798 28.9262 178.9899 104 V 3.5901 7.5990 118.5902 65.9832 31.4250 177.9614 105 R 3.8457 7.7666 117.0640 59.2983 29.9590 177.6548 106 E 4.0384 8.2761 118.6815 59.3309 29.7844 178.4516 107 Q 4.0677 7.5855 115.0836 56.7612 29.4035 177.0462 108 G 4.0015 8.5496 109.4966 45.2897 0.0000 172.1564 109 Y 5.3910 6.8058 115.3132 55.3394 41.5518 173.7962 110 A 5.1264 9.0957 121.0042 51.1788 23.1016 175.1654 111 S 5.0916 8.6727 112.1955 58.0143 66.1293 173.3647 112 A 4.8403 8.6097 119.9469 51.0697 22.9360 175.1215 113 E 4.8749 8.6072 117.9997 55.5636 32.7532 176.0625 114 H 4.2776 9.2596 117.7374 56.4444 27.1963 174.4936 115 I 4.5178 7.3199 118.8284 58.7534 40.2113 173.4034 116 P 4.2484 0.0000 0.0000 63.8627 32.0308 175.9097 117 F 5.0361 7.3442 118.7243 55.0660 40.7866 175.0127 118 V 3.9703 8.6806 125.2293 64.9938 31.6366 176.1354 119 G 4.1201 9.7446 115.2947 45.0696 0.0000 172.6509 120 G 4.6257 8.4019 107.3665 44.9950 0.0000 173.3289 121 G 4.8300 9.1718 107.8156 44.4933 0.0000 171.7500 122 T 5.4275 8.9748 112.5362 60.0509 73.0070 172.7342 123 I 5.2973 8.9082 122.5242 60.2652 42.0076 173.9687 124 C 5.1513 9.7774 119.9711 56.9395 33.4283 173.1449 125 V 4.9817 8.2559 112.2305 59.4027 35.4029 174.4105 126 L 4.3439 8.3124 125.7024 54.7593 42.5074 176.6898 127 L 4.4618 8.8616 127.1256 53.0502 42.7596 175.0246 128 P 4.4624 0.0000 0.0000 63.0028 31.4877 175.8242 *130 T 4.2457 7.5676 107.2527 62.5135 70.2807 173.0403 131 I 4.5333 7.8417 114.5289 60.4410 40.2373 175.5423 132 Q 3.2400 9.7432 123.3554 57.0364 26.1164 174.7696 133 G 3.9344 8.3826 102.8365 45.9128 0.0000 173.8540 134 Q 4.6909 7.6049 119.2965 52.8958 30.7347 173.4604 135 P 4.8541 0.0000 0.0000 62.9311 33.1000 175.3795 136 V 4.9037 8.2586 120.0814 60.5639 34.7932 174.2475 137 T 5.0470 8.1019 115.8992 59.6592 72.1715 173.1749 *139 G 4.2042 8.5359 107.0173 46.6044 0.0000 171.6608 140 L 5.4311 8.9141 119.8872 54.1748 44.5716 175.4675 141 G 4.4421 8.4243 105.6644 45.3359 0.0000 173.1011 142 G 4.2825 8.6523 106.4706 44.2671 0.0000 172.0786 143 A 4.4599 7.9440 120.8951 51.9861 19.8141 178.2345 144 L 3.9752 9.4523 127.0776 58.5533 42.1774 179.4072 145 D 4.3478 8.1018 118.1755 57.4880 40.7602 178.6471 146 R 3.9674 7.9310 118.6155 59.1392 29.9292 178.4934 147 I 3.9099 7.6333 119.2640 64.1486 37.3503 178.0630 148 K 4.1012 8.2628 119.5176 59.7381 31.7399 179.2461 149 Q 4.0356 7.9455 118.1272 58.1993 29.0752 176.9391 150 N 4.5470 7.4300 115.1740 52.6316 38.8308 175.5044 151 Y 4.0953 7.4483 123.3429 61.1872 38.7180 178.3324 152 D 4.0645 8.0043 118.6228 57.3114 41.1035 178.4401 153 R 3.8513 7.8596 118.5530 59.7343 30.0228 177.8879 154 Y 4.2434 8.1482 116.5933 61.0539 37.8281 178.1946 155 L 3.6732 7.9132 121.5355 58.3421 42.1321 178.9963 156 E 3.9106 8.1973 117.9357 58.7767 29.2422 179.4257 157 L 3.9864 7.8950 119.6569 57.5968 41.6935 179.2531 158 L 3.9486 7.7507 118.8387 58.0295 41.3982 179.7626 159 L 4.1083 8.1416 118.8720 57.6087 41.5249 179.2864 160 N 4.4606 8.3767 116.9388 56.1280 38.4356 177.6102 161 G 3.6157 8.2220 107.3742 47.7743 0.0000 175.9250 162 V 3.6395 7.8737 120.6686 65.7999 31.2954 177.8363 163 Q 4.0874 7.5752 118.1360 58.6836 29.1677 177.6805 164 Q 4.1538 8.0697 119.5628 58.8056 28.5537 178.3864 165 L 4.0273 7.6382 119.1256 57.6203 41.7869 179.3093 166 K 3.9814 7.9300 117.3148 58.1975 33.1322 177.6124 167 K 4.4602 7.4750 120.7259 54.4039 31.0711 175.6504 168 S 4.4142 7.7909 113.0672 58.1968 67.3656 175.1824 169 D 4.6464 8.4850 120.7127 53.9519 40.8106 173.9713 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 S 8.33 4.48 0.00 4.02 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 -1 N 7.86 4.91 0.00 2.90 2.78 0.00 0.00 6.99 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 0 A 9.13 4.09 1.32 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 0.00 0.00 1 L 7.84 4.09 0.00 1.43 1.53 0.81 1.09 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 2 F 8.00 4.26 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 3 S 7.90 4.21 0.00 4.18 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 4 S 8.04 4.21 0.00 3.91 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 5 R 7.91 3.90 0.00 2.01 2.12 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 6 D 8.25 4.36 0.00 2.93 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 7 I 7.74 3.70 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.92 0.00 0.00 8 L 8.25 3.93 0.00 1.81 1.88 0.91 1.15 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 9 E 8.30 3.92 0.00 2.27 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 2.33 0.00 10 V 7.61 3.59 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 0.94 0.00 0.00 0.94 0.00 0.00 11 L 8.11 3.95 0.00 1.90 1.79 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.33 4.05 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 13 D 7.68 4.45 0.00 2.77 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 I 7.87 3.87 1.84 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 1.37 0.55 0.82 0.00 0.00 15 H 7.79 4.39 0.00 3.23 3.45 0.00 5.81 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.79 4.01 0.00 2.00 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 2.30 2.39 0.00 18 T 7.62 4.51 3.60 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 0.99 0.00 0.00 19 G 8.43 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 20 E 7.63 4.65 0.00 1.80 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 2.29 2.04 0.00 21 T 8.16 4.37 4.38 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 1.16 0.00 0.00 22 V 8.68 5.05 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 0.75 0.00 0.00 0.89 0.00 0.00 23 A 9.11 5.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.07 4.84 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.07 0.94 0.00 0.00 25 A 8.96 5.12 1.08 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 26 T 9.24 5.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 27 K 8.50 4.76 0.00 1.79 1.67 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.39 7.81 28 N 9.06 4.78 0.00 2.84 2.74 0.00 0.00 6.66 8.38 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 29 D 9.26 4.41 0.00 2.93 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 0.00 0.00 0.00 0.00 30 I 8.32 4.31 1.60 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.05 0.41 0.00 0.00 31 Y 7.67 5.38 0.00 3.05 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 32 L 9.03 4.59 0.00 1.48 1.37 0.76 -0.05 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 33 Q 8.77 4.38 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 34 Y 8.42 4.79 0.00 3.00 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 35 I 8.81 4.13 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.51 0.93 0.00 0.00 36 Q 7.67 4.55 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 37 I 8.50 4.95 1.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.51 0.73 0.00 0.00 38 I 8.42 4.36 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.70 0.52 0.00 0.00 39 E 8.87 4.24 0.00 1.98 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 2.31 2.35 0.00 40 S 8.85 4.52 0.00 4.09 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 41 V 8.44 4.30 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 0.77 0.00 0.00 0.79 0.00 0.00 42 H 8.09 4.33 0.00 3.18 3.24 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 43 A 8.78 3.97 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 44 L 7.50 4.37 0.00 1.54 1.55 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.74 4.21 0.00 1.91 1.85 0.00 3.10 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 46 F 8.41 4.63 0.00 3.03 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 47 H 8.44 4.70 0.00 3.06 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.93 3.92 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 0.68 0.00 0.00 0.87 0.00 0.00 49 D 8.55 4.82 0.00 2.73 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 50 E 8.72 4.34 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 2.24 2.32 0.00 51 N 8.20 4.49 0.00 2.71 2.88 0.00 0.00 6.86 7.35 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 52 A 7.48 3.92 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 53 I 8.13 4.04 1.77 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 1.15 0.52 0.37 0.00 0.00 54 R 8.27 4.66 0.00 1.71 1.82 0.00 3.18 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 55 P 0.00 4.85 0.00 2.14 2.23 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 56 L 8.72 3.93 0.00 1.76 1.83 0.90 0.42 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 57 T 7.13 4.43 4.55 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 1.31 0.00 0.00 *59 S 7.84 3.78 0.00 3.70 3.64 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 71 D 8.34 4.39 0.00 2.71 2.72 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 72 K 8.06 4.14 0.00 1.70 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 73 A 7.78 4.51 1.32 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 0.00 0.00 74 I 7.41 3.76 1.85 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 1.52 1.37 0.89 0.00 0.00 75 D 7.98 4.39 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.11 4.33 0.00 2.86 2.78 0.00 0.00 7.15 7.22 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 77 T 7.54 3.83 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 1.18 0.00 0.00 78 V 7.63 3.67 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 1.04 0.00 0.00 0.99 0.00 0.00 79 R 7.89 3.92 0.00 1.92 1.89 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 80 R 7.98 3.89 0.00 1.96 1.95 0.00 3.32 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 1.78 1.80 0.00 81 A 8.17 3.90 1.40 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 82 N 7.91 4.23 0.00 2.86 2.85 0.00 0.00 6.75 8.40 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 83 T 7.53 3.55 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 1.27 0.00 0.00 84 I 7.03 3.85 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 1.61 0.64 0.94 0.00 0.00 85 T 7.79 4.31 4.14 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 0.00 0.00 0.00 1.23 0.00 0.00 86 Q 8.93 4.38 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 87 K 7.93 4.25 0.00 1.71 1.85 0.00 1.71 0.00 0.00 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1.31 0.66 0.93 0.00 0.00 132 Q 9.74 3.24 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 133 G 8.38 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 0.00 134 Q 7.60 4.69 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 135 P 0.00 4.85 0.00 2.12 2.18 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 136 V 8.26 4.90 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 0.96 0.00 0.00 0.95 0.00 0.00 137 T 8.10 5.05 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 *139 G 8.54 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 0.00 0.00 0.00 140 L 8.91 5.43 0.00 1.73 1.63 0.81 0.13 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 0.00 141 G 8.42 4.44 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 0.00 0.00 0.00 142 G 8.65 4.28 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 0.00 143 A 7.94 4.46 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 0.00 144 L 9.45 3.98 0.00 1.82 1.78 0.98 1.12 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 0.00 145 D 8.10 4.35 0.00 2.73 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 0.00 146 R 7.93 3.97 0.00 1.86 2.09 0.00 2.97 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 147 I 7.63 3.91 2.09 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 1.87 1.13 1.13 0.00 0.00 148 K 8.26 4.10 0.00 2.06 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 149 Q 7.95 4.04 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 150 N 7.43 4.55 0.00 1.45 1.42 0.00 0.00 6.50 8.72 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 0.00 151 Y 7.45 4.10 0.00 3.21 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 0.00 152 D 8.00 4.06 0.00 2.70 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 0.00 153 R 7.86 3.85 0.00 1.83 1.85 0.00 3.21 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 154 Y 8.15 4.24 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.91 3.67 0.00 0.95 1.16 0.27 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.20 3.91 0.00 2.08 1.94 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 2.23 2.43 0.00 157 L 7.90 3.99 0.00 1.83 1.69 0.97 0.37 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 0.00 158 L 7.75 3.95 0.00 1.84 1.70 0.93 0.63 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 0.00 159 L 8.14 4.11 0.00 1.64 1.72 0.78 1.13 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 0.00 160 N 8.38 4.46 0.00 2.98 2.86 0.00 0.00 6.78 6.88 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 0.00 161 G 8.22 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 0.00 162 V 7.87 3.64 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 1.01 0.00 0.00 1.02 0.00 0.00 163 Q 7.58 4.09 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 164 Q 8.07 4.15 0.00 2.32 2.13 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 2.38 2.40 0.00 165 L 7.64 4.03 0.00 1.79 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.93 3.98 0.00 1.75 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.51 7.81 167 K 7.48 4.46 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.54 7.81 168 S 7.79 4.41 0.00 4.01 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 0.00 169 D 8.48 4.65 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.