NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6771 8.3229 120.5485 54.3499 42.7983 178.2095 6 K 4.1201 8.0853 123.5579 59.5774 31.4478 179.8591 7 I 4.0237 8.6158 121.3266 65.1575 35.8346 180.7593 8 L 4.2323 8.1412 120.2637 57.7578 41.3500 180.0805 9 G 3.6877 8.8240 108.4278 48.3266 0.0000 177.0489 10 V 3.6563 7.5716 121.0416 65.4229 31.4333 180.1023 11 A 3.7412 8.2267 121.7252 54.8862 18.1981 179.2558 12 K 4.2283 7.9280 120.0955 60.7594 32.2658 179.2657 13 E 4.0076 7.9417 118.1943 61.0955 29.6043 180.9026 14 L 4.1509 8.0075 120.1297 57.6449 41.4955 179.5991 15 F 4.8017 8.9229 120.3762 61.0315 38.8557 178.3710 16 I 4.0204 8.0668 121.8986 66.0203 35.5060 181.7709 17 K 4.2748 7.8927 124.7247 58.5556 31.8468 180.0275 18 N 4.9626 8.0950 117.0165 51.1750 40.7433 174.7642 19 G 3.9679 8.1498 107.8902 45.5758 0.0000 172.7792 20 Y 4.3996 8.7008 119.1845 60.8351 38.8952 178.1113 21 N 4.3704 8.2986 115.4468 56.1123 38.6893 176.3981 22 A 4.1019 8.0129 119.0649 53.4059 18.7639 176.8294 23 T 4.3275 7.3588 105.2020 59.7722 70.1788 174.1017 24 T 4.4966 7.9437 120.2119 59.9144 71.2562 174.6128 25 T 3.9861 8.4462 114.8736 64.6696 68.3963 176.4442 26 G 3.6231 8.1835 110.7995 48.6927 0.0000 176.1029 27 E 4.1167 8.1745 123.5093 60.8324 29.5516 181.9000 28 I 3.8632 7.4955 119.2158 65.0858 35.8740 181.7627 29 V 3.9839 7.8175 122.7069 66.5378 31.2531 178.9481 30 K 4.0579 7.9677 124.2782 60.3576 31.4817 181.0223 31 L 4.5056 7.5051 120.2037 58.5688 40.8480 181.6089 32 S 4.7882 7.3668 111.4737 58.3152 63.8723 173.6845 33 E 3.7935 7.7297 123.1717 57.8345 27.9319 175.2935 34 S 3.9075 7.4834 122.1000 57.8635 61.8661 177.3677 35 S 4.4335 8.7794 125.6805 57.2837 63.1870 172.6550 36 K 4.0225 8.9159 121.2409 58.7074 31.5614 180.1411 37 G 3.7985 8.4499 109.5821 49.2688 0.0000 174.8042 38 N 4.3831 8.2711 118.8554 55.7461 38.1440 178.5237 39 L 4.7943 7.5690 118.6316 52.6782 39.1161 180.8759 40 Y 5.0225 7.3576 117.7543 57.6424 40.4314 171.8419 *43 F 4.4715 8.1508 121.5683 56.7438 39.1803 177.0630 44 K 3.2819 8.5725 127.0849 56.6701 32.2979 175.2619 45 T 4.6041 7.5383 111.7024 59.8757 70.7977 175.0479 46 K 4.0131 8.4532 121.6380 59.5023 31.9043 177.9973 47 E 4.1843 8.0941 118.5425 59.7996 29.4226 178.8448 48 N 4.3754 8.2440 115.5077 56.4446 38.7569 176.8516 49 L 3.4348 7.8193 121.2447 58.0290 42.1381 178.8660 50 F 3.9324 8.2891 120.2619 61.2970 39.3510 176.8750 51 L 3.5908 8.8463 120.9373 57.8257 41.7104 178.5898 52 E 3.9183 8.2595 119.6217 59.1131 29.5896 178.7896 53 I 3.6276 7.2853 119.4149 64.2265 37.1228 178.3195 54 L 3.7938 7.3637 119.7537 57.6651 41.4160 178.9920 55 N 4.2172 7.7652 116.4791 56.7811 38.8029 176.6920 56 I 3.6433 7.7741 120.9618 64.6811 37.3896 178.3254 57 E 3.9884 8.6827 119.5298 59.4039 29.2021 178.9692 58 E 4.0009 8.9437 119.7098 59.3964 29.5913 179.2355 59 S 4.1420 7.8659 114.6114 61.4896 63.1496 176.5722 60 K 3.7695 8.2307 121.5476 59.0336 31.5451 179.2080 61 W 4.5833 8.3058 128.5228 60.8292 30.7637 177.8394 62 Q 3.7318 8.1127 119.4217 59.0454 28.2461 178.4754 63 E 3.8355 8.6324 119.9448 59.4665 29.4729 178.8412 64 Q 3.9739 7.8673 119.0826 59.0268 29.0186 178.3789 65 W 4.1255 8.1636 129.6680 60.2982 30.4375 178.1630 66 K 4.1021 7.2531 118.2149 58.8478 31.5905 179.3639 67 K 4.0586 8.0483 117.2849 58.2094 31.8260 178.0272 68 E 4.5604 7.4794 117.2463 55.7511 30.7211 177.1291 69 Q 3.3130 7.4251 118.7091 57.2848 28.6044 177.6994 70 I 3.5858 7.4741 114.0331 63.8741 37.4821 177.3408 71 K 3.8778 7.3604 119.0743 58.5308 32.0339 176.7930 72 A 4.3679 7.9083 124.9857 51.6983 19.1622 177.9119 73 K 4.0905 9.5741 126.5968 57.5162 32.3210 174.7547 74 T 4.6208 7.6165 109.8970 59.8829 72.2169 175.1398 75 N 4.5933 8.9119 119.4127 56.3363 38.4275 177.6635 76 R 4.4038 8.4142 120.3388 59.8821 30.1430 178.4936 77 E 4.1287 7.9675 116.8711 59.1806 29.4684 179.1386 78 K 4.2395 8.7227 119.1040 60.3425 32.2434 178.2890 79 F 4.0934 9.2334 120.7348 61.3548 39.0218 176.5604 80 Y 4.0509 8.7738 115.3683 61.1218 37.9047 179.0260 81 L 4.2784 8.4364 122.2816 57.9400 42.3721 177.9144 82 Y 3.2803 8.3512 119.8811 60.8449 38.2256 178.2435 83 N 4.2162 7.7382 115.5338 56.1449 38.3803 176.9016 84 E 4.0813 8.1839 119.9889 59.6495 29.5840 179.5974 85 L 4.1946 8.5745 120.4610 57.2267 41.3981 179.6588 86 S 2.8461 7.2383 114.5431 61.1679 62.5982 176.4342 87 L 3.8973 7.1436 121.0876 57.3890 41.1036 178.8795 88 T 4.2111 7.4278 108.4774 62.5016 69.3688 175.0746 89 T 3.8884 7.0941 118.2000 64.1157 68.9469 173.4580 90 Q 4.4396 8.1071 118.0528 55.8764 29.0188 174.7735 91 Y 5.1557 7.2895 114.8583 56.8868 40.9114 173.4159 92 Y 3.7214 8.9653 128.3915 59.0394 38.4188 171.2745 93 Y 4.1622 7.6826 116.2405 60.4287 38.1542 176.2199 94 P 4.5727 0.0000 0.0000 63.0884 31.6454 176.8998 95 L 4.5226 7.9398 118.7920 54.7953 42.0995 178.1702 96 Q 3.9398 7.4405 118.0655 58.5373 28.5307 178.2225 97 N 4.2019 8.0248 117.1985 56.1841 38.5892 176.9340 98 A 3.9945 7.9198 121.5449 55.3880 18.3455 179.5982 99 I 3.5209 7.8234 117.4217 64.2725 37.4590 178.6748 100 I 4.0327 7.9216 120.8850 64.5421 36.9497 177.9792 101 E 3.9296 8.2035 120.0496 59.2700 29.1560 178.7452 102 F 3.2302 8.1812 121.1555 61.0969 39.0922 176.8430 103 Y 4.2941 7.4838 115.3116 60.9216 37.6445 178.4207 104 T 4.0913 7.8716 112.2235 65.5717 69.3972 177.1297 105 E 3.9133 7.5347 119.9432 59.7319 30.0574 177.9801 106 Y 4.4182 7.6877 119.1695 58.4590 39.1509 178.9403 *113 N 4.7417 8.6790 122.5565 52.7218 39.1743 171.8946 114 E 4.7438 7.9690 134.5363 55.4499 34.5527 181.0449 115 K 4.2196 9.0078 128.3396 58.9418 31.7797 178.6849 116 M 4.3507 8.2220 119.3839 60.0212 32.0593 178.3763 117 N 4.4606 8.0720 120.7405 58.1418 37.8114 180.1831 118 K 4.2841 8.0358 125.5903 59.0717 31.7143 180.8575 119 L 4.1947 7.7239 122.0186 59.2404 42.2897 179.2228 120 E 3.7818 8.4405 118.3748 61.4740 29.5867 181.0902 121 N 4.6716 8.0847 116.0727 56.2768 38.5380 177.5190 122 K 4.0300 7.7946 119.6199 59.4993 32.2870 177.9609 123 Y 4.5548 9.0553 121.8264 59.7110 39.1012 177.1048 124 I 4.1472 7.7989 111.6135 61.6643 38.1701 177.1286 125 D 4.3546 7.9145 120.4758 57.5277 41.0593 177.6134 126 A 3.8876 7.9620 120.7670 55.5330 18.1353 179.0408 127 Y 3.7322 7.6603 114.4512 60.7844 37.9911 177.5419 128 H 4.3403 8.2539 120.8361 58.7154 30.0060 177.2188 129 V 3.6263 8.0070 120.0210 66.2584 31.3655 177.7250 130 I 3.8942 7.4626 118.8027 64.8546 37.0898 178.4849 131 F 5.0968 8.3994 118.4031 60.2402 38.7333 177.9195 132 K 4.0770 8.7898 122.4345 60.3156 32.2016 179.5057 133 E 4.1352 8.8416 119.0297 60.8983 29.4736 181.4385 134 G 3.4906 8.1442 104.7249 47.8831 0.0000 175.7590 135 N 4.3734 8.2845 121.0760 56.5463 38.4310 178.1217 136 L 4.0715 7.9400 125.2496 60.1982 41.1691 181.2760 137 N 4.7490 8.3575 118.1359 54.3625 37.5909 177.3928 138 G 4.0341 7.3923 106.1382 47.4019 0.0000 175.1067 139 E 3.8981 7.7354 121.3272 57.8796 29.5210 176.3324 140 W 4.8425 6.8320 115.7426 56.9012 30.6979 175.2168 141 S 4.8676 8.6042 114.4996 57.0639 62.1056 169.5132 142 I 4.2703 8.6635 121.6964 58.7275 36.6289 176.8306 143 N 4.6881 8.7180 122.2879 52.5670 38.5561 174.4923 144 D 4.7256 7.5258 119.0759 52.1322 40.8764 176.1763 145 V 3.5622 8.0742 124.9533 65.4873 31.8146 176.8346 146 N 4.3488 8.3048 115.6461 56.5864 38.3284 176.5236 147 A 3.9439 8.2196 121.4858 55.4460 18.4827 179.6332 148 V 3.5162 7.7182 115.8503 65.8658 30.9916 178.8667 149 S 4.3950 8.8582 115.6472 61.5616 62.7718 176.6830 150 K 4.0897 8.1076 121.2399 59.3779 31.7319 179.4633 151 I 3.6544 8.1917 120.2632 64.2610 37.0318 178.0167 152 A 3.4659 8.0697 121.2007 55.0859 18.0877 179.2176 153 A 3.3122 7.3885 119.0126 55.4641 18.3218 179.7135 154 N 4.4416 8.1873 114.3971 56.2182 38.5412 177.3813 155 A 3.8438 8.2927 122.6727 55.2635 18.3706 179.6542 156 V 3.1239 7.6964 116.7053 66.2602 31.4898 177.6819 157 N 4.6649 8.6138 116.9797 56.5977 38.7437 176.9942 158 G 3.6677 8.4000 107.5585 48.0784 0.0000 175.7122 159 I 3.7820 7.5930 122.0300 63.6986 37.0834 178.6058 160 V 3.6416 7.8177 118.5650 66.2750 31.2025 177.9291 161 T 4.1638 8.2461 115.4763 66.0839 68.2394 176.1459 162 F 4.6579 8.6279 117.9466 57.4597 39.3536 176.2102 163 T 4.7320 7.4974 105.6682 61.3287 69.9670 173.5258 164 H 4.6297 8.0419 124.5921 56.2239 27.6375 173.8195 165 E 4.9257 7.7803 127.6694 56.1072 33.0352 177.2341 166 Q 4.2567 7.8947 116.8727 55.2166 29.8183 175.4680 167 N 3.8922 8.2927 115.2736 53.0326 40.1644 175.3958 168 I 3.7261 8.5232 127.6300 63.9648 38.1085 177.4096 169 N 4.4567 8.2540 116.9976 55.4774 38.6680 176.6591 170 E 3.9080 8.6601 121.0709 59.4256 29.6458 178.8240 171 R 3.8786 7.7840 117.5618 59.7213 30.1149 178.9146 172 I 3.7415 7.9162 121.5809 64.9964 37.0830 179.3795 173 K 4.0419 8.2392 124.5141 59.7477 31.5232 181.3342 174 L 4.2202 8.4629 120.9952 57.9235 41.6171 179.3100 175 M 4.0379 8.2420 118.1330 58.8528 32.0570 178.0563 176 N 4.4641 8.1304 116.4294 56.1151 38.8502 177.3816 177 K 4.0332 8.3565 121.0817 59.4570 32.1174 178.3369 178 F 4.1892 8.6258 121.7350 61.1304 39.4031 176.9121 179 S 4.0521 8.8255 114.9636 61.8211 62.5963 176.9102 180 Q 4.2554 7.9329 123.1001 58.9026 28.9168 178.3371 181 I 3.6486 7.4811 120.2706 64.2505 37.0901 178.3076 182 F 3.7060 8.1449 121.6528 61.0951 39.2527 177.1751 183 L 3.6088 7.8820 118.4659 57.8225 41.2741 178.7355 184 N 4.3018 8.0917 115.7035 56.9657 38.7968 176.4740 185 G 3.5909 7.6638 105.5734 47.6882 0.0000 175.3575 186 L 3.8319 7.0477 120.1880 57.4466 41.7544 178.0450 187 S 4.5025 7.6952 117.8462 58.9284 62.9353 174.1294 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 5 D 8.32 4.68 0.00 2.84 2.82 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 6 K 8.09 4.12 0.00 1.84 1.82 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.13 7.81 7 I 8.62 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.54 0.91 0.00 0.00 8 L 8.14 4.23 0.00 1.83 1.80 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.57 3.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 11 A 8.23 3.74 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 12 K 7.93 4.23 0.00 1.98 2.06 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.51 1.56 7.81 13 E 7.94 4.01 0.00 1.96 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 2.24 2.22 0.00 14 L 8.01 4.15 0.00 1.56 1.45 0.92 1.38 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 15 F 8.92 4.80 0.00 3.03 3.14 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 0.00 16 I 8.07 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.91 0.00 0.00 17 K 7.89 4.27 0.00 1.88 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.36 7.81 18 N 8.10 4.96 0.00 2.81 2.80 0.00 0.00 7.16 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 19 G 8.15 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 0.00 0.00 0.00 20 Y 8.70 4.40 0.00 2.76 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 21 N 8.30 4.37 0.00 2.88 2.90 0.00 0.00 7.11 8.66 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 22 A 8.01 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 23 T 7.36 4.33 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 1.20 0.00 0.00 24 T 7.94 4.50 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 1.17 0.00 0.00 25 T 8.45 3.99 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 26 G 8.18 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 27 E 8.17 4.12 0.00 1.99 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 2.31 1.94 0.00 28 I 7.50 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.91 0.00 0.00 29 V 7.82 3.98 2.28 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 1.00 0.00 0.00 1.02 0.00 0.00 30 K 7.97 4.06 0.00 1.91 1.73 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.34 7.81 31 L 7.51 4.51 0.00 1.72 1.61 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.37 4.79 0.00 3.82 3.83 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 33 E 7.73 3.79 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 34 S 7.48 3.91 0.00 3.64 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.78 4.43 0.00 3.65 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 36 K 8.92 4.02 0.00 1.67 1.87 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.04 7.81 37 G 8.45 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.27 4.38 0.00 2.77 2.77 0.00 0.00 7.00 7.48 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 39 L 7.57 4.79 0.00 1.70 1.53 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.36 5.02 0.00 2.92 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 *43 F 8.15 4.47 0.00 3.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.57 3.28 0.00 1.80 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 0.99 7.81 45 T 7.54 4.60 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 1.31 0.00 0.00 46 K 8.45 4.01 0.00 1.91 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.53 1.57 7.81 47 E 8.09 4.18 0.00 2.05 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 1.62 1.76 0.00 48 N 8.24 4.38 0.00 3.06 2.99 0.00 0.00 6.59 6.74 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 49 L 7.82 3.43 0.00 1.31 1.77 0.21 0.74 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 50 F 8.29 3.93 0.00 2.94 3.14 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 0.00 51 L 8.85 3.59 0.00 1.74 1.60 0.70 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.26 3.92 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.84 2.93 0.00 117 N 8.07 4.46 0.00 2.82 2.81 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.04 4.28 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.06 7.81 119 L 7.72 4.19 0.00 1.72 1.87 0.88 0.88 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 0.00 120 E 8.44 3.78 0.00 2.00 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 2.25 2.25 0.00 121 N 8.08 4.67 0.00 2.72 2.92 0.00 0.00 6.55 6.80 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 0.00 122 K 7.79 4.03 0.00 1.89 2.03 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 123 Y 9.06 4.55 0.00 2.85 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 0.00 124 I 7.80 4.15 1.97 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 1.75 0.76 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 134 G 8.14 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.28 4.37 0.00 3.01 2.91 0.00 0.00 7.06 6.56 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 0.00 136 L 7.94 4.07 0.00 1.75 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.36 4.75 0.00 2.76 2.75 0.00 0.00 7.12 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.39 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.74 3.90 0.00 1.16 1.58 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 2.08 1.79 0.00 140 W 6.83 4.84 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.60 4.87 0.00 3.59 3.64 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 0.00 142 I 8.66 4.27 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.13 0.91 0.00 0.00 143 N 8.72 4.69 0.00 2.79 2.96 0.00 0.00 5.99 8.06 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 0.00 144 D 7.53 4.73 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.56 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 1.10 0.00 0.00 0.99 0.00 0.00 146 N 8.30 4.35 0.00 2.81 2.90 0.00 0.00 7.01 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.22 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.72 3.52 1.65 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 0.26 0.00 0.00 0.72 0.00 0.00 149 S 8.86 4.39 0.00 4.09 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 0.00 150 K 8.11 4.09 0.00 2.06 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.66 7.81 151 I 8.19 3.65 2.00 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 1.50 0.74 1.14 0.00 0.00 152 A 8.07 3.47 1.09 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 0.00 153 A 7.39 3.31 1.09 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 0.00 154 N 8.19 4.44 0.00 2.90 2.92 0.00 0.00 6.99 8.08 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 0.00 155 A 8.29 3.84 1.23 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 0.00 0.00 0.00 156 V 7.70 3.12 2.31 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 1.04 0.00 0.00 0.96 0.00 0.00 157 N 8.61 4.66 0.00 3.31 3.16 0.00 0.00 7.16 8.64 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 0.00 158 G 8.40 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.59 3.78 1.73 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.37 0.80 0.00 0.00 160 V 7.82 3.64 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 0.67 0.00 0.00 0.62 0.00 0.00 161 T 8.25 4.16 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 0.97 0.00 0.00 162 F 8.63 4.66 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 7.50 4.73 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 1.24 0.00 0.00 164 H 8.04 4.63 0.00 3.27 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.78 4.93 0.00 1.99 1.78 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 1.97 1.67 0.00 166 Q 7.89 4.26 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 167 N 8.29 3.89 0.00 2.78 2.73 0.00 0.00 6.55 7.70 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 0.00 168 I 8.52 3.73 1.85 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 1.62 1.03 0.90 0.00 0.00 169 N 8.25 4.46 0.00 2.91 2.84 0.00 0.00 6.79 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 0.00 170 E 8.66 3.91 0.00 2.03 2.16 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 2.32 2.37 0.00 171 R 7.78 3.88 0.00 2.05 1.94 0.00 3.34 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 172 I 7.92 3.74 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.94 0.00 0.00 173 K 8.24 4.04 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 174 L 8.46 4.22 0.00 1.80 1.77 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 175 M 8.24 4.04 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 176 N 8.13 4.46 0.00 3.00 3.07 0.00 0.00 6.63 9.10 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 0.00 177 K 8.36 4.03 0.00 1.95 2.05 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.56 7.81 178 F 8.63 4.19 0.00 3.17 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 0.00 179 S 8.83 4.05 0.00 3.24 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 0.00 180 Q 7.93 4.26 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 181 I 7.48 3.65 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 0.89 0.00 0.00 182 F 8.14 3.71 0.00 2.26 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.88 3.61 0.00 1.88 1.75 1.31 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.09 4.30 0.00 2.76 3.07 0.00 0.00 7.28 7.61 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 0.00 185 G 7.66 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 0.00 186 L 7.05 3.83 0.00 1.38 1.33 0.09 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.70 4.50 0.00 3.91 3.88 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 * Residues marked with a * may have inaccurate shift predictions.