NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6703 8.4244 119.1961 53.8547 40.2761 173.0136 3 E 4.0626 8.3405 117.6080 56.7092 34.0645 174.2851 4 Q 4.0279 8.5982 121.3051 59.1995 30.4198 177.7574 5 A 4.5369 8.0739 120.4490 54.6908 18.5030 179.1327 6 I 3.8393 7.8692 118.0696 64.8361 37.1200 178.5542 7 L 4.2177 7.9296 118.7042 58.2364 40.6172 179.3497 8 Q 3.7414 8.3953 117.3936 59.2984 28.6297 179.6586 9 S 4.2914 8.5193 115.7534 61.6008 63.0013 176.4615 10 A 3.9728 8.2772 122.9951 55.2392 18.0135 179.1240 11 E 3.9794 8.8838 116.8997 58.6724 29.8196 178.1611 12 A 4.2899 7.3420 120.4710 54.1198 19.7974 178.7975 13 W 4.2534 8.0150 126.5960 60.8758 30.6704 178.3345 14 V 3.4318 7.7444 116.1429 64.9189 30.8756 177.1087 15 K 3.6222 7.5037 118.1389 58.4250 32.7628 178.1493 16 K 4.0214 8.2878 119.4927 60.3437 32.5253 179.2440 17 Q 4.3638 7.9851 119.9097 56.6643 29.6901 177.4645 18 L 4.3665 7.1495 120.5941 53.8406 40.6891 176.5223 *20 D 4.5721 7.5470 112.0821 53.2503 42.6054 177.6920 21 E 4.0637 8.7270 118.9509 58.4217 28.6247 176.8787 *26 D 4.6994 8.9405 125.2869 54.7661 44.0497 176.3443 27 W 4.3245 8.1102 127.6553 60.3500 30.7995 177.3278 28 Y 3.5366 8.0507 116.3856 61.3132 37.2344 178.0396 29 H 4.0113 7.7202 119.0959 59.5121 30.0368 177.2710 30 I 3.4986 7.3372 120.8635 64.2748 36.7779 178.0482 31 R 3.2181 7.0638 120.0420 59.0371 29.6434 178.6777 32 R 3.8050 8.0892 116.0613 59.2853 29.4745 178.8166 33 V 3.5994 7.7018 119.3297 64.6329 31.4979 178.4126 34 T 3.9559 7.4795 116.0618 66.3070 68.3339 176.8939 35 L 3.8899 7.7287 117.7644 56.1599 41.6981 178.7435 *37 A 4.1627 7.8527 123.3973 52.0756 19.9349 178.8743 38 K 3.9702 7.5359 116.7365 58.2301 31.9662 178.4613 39 A 3.9610 8.4293 120.3922 55.8190 18.4505 179.9023 40 I 3.7961 7.8588 117.3432 64.1987 37.2222 178.7224 41 G 3.7004 8.3302 107.4310 47.7591 0.0000 175.3602 42 E 4.2346 8.0492 119.3199 57.6215 29.7615 178.3075 43 Q 4.0593 7.7877 120.3474 58.5027 29.1492 176.4748 44 E 4.4206 7.6690 117.2415 54.5816 30.2453 176.0507 45 K 3.7794 7.4413 116.8966 57.6184 30.3163 174.5754 46 V 4.2505 7.2193 110.4069 59.3443 34.0089 177.0760 47 D 4.6056 9.6238 121.2769 54.3674 38.8971 176.6166 48 V 3.7878 8.2067 124.3873 64.9453 31.5155 176.3383 49 F 4.7526 8.3703 121.3035 61.1114 39.2917 177.0406 50 V 3.2868 7.9804 118.1678 64.9854 30.9445 178.4548 51 V 3.5312 7.5367 119.7247 64.5543 31.1556 178.3976 52 Q 3.9070 7.6199 117.2632 58.6217 28.4693 178.7755 53 I 3.4876 7.8308 120.7671 64.1577 37.0375 178.0421 54 A 3.9379 8.5311 121.6754 55.3003 17.9924 179.1593 55 A 3.8523 7.8901 117.9927 55.6260 18.4456 179.5264 56 L 3.7543 7.3159 115.5779 57.2851 42.0368 178.9316 57 F 4.7195 7.4332 115.5896 57.4758 39.2637 177.3931 58 H 4.0580 8.2747 116.0545 59.1934 28.0258 176.0849 59 D 4.1214 7.7243 121.4006 56.1177 41.1048 175.7241 60 L 4.2418 6.8731 124.6985 56.5942 39.1777 175.2268 61 I 4.3863 7.5968 125.3239 62.1663 44.4265 174.7650 62 D 4.7378 7.3801 119.9205 51.7726 41.9893 176.2283 *70 E 4.3243 7.8132 124.4446 55.5314 30.6591 178.9256 71 T 3.8289 8.7776 107.6361 65.3462 66.7655 175.5209 72 A 3.9472 7.7881 121.0168 55.0131 18.4061 179.4824 73 K 3.7848 7.9681 117.9532 59.6575 32.3398 178.4609 74 Q 3.9355 8.1851 119.3441 59.5266 28.8005 177.9547 75 Q 4.0473 8.4582 120.6986 59.4349 28.7275 179.1754 76 L 4.0822 7.0944 118.6874 57.7624 42.0536 178.5460 77 I 3.8007 7.6633 117.1141 64.6085 37.9309 177.0927 78 D 4.5691 8.8229 120.1148 56.4620 40.6079 178.1610 79 W 3.8889 7.9837 128.2076 58.7968 31.7697 177.4624 *81 E 4.2122 8.2672 117.9401 55.9691 30.6906 177.1299 82 A 4.0945 7.8875 118.4666 52.6583 18.3164 177.3826 83 A 4.1829 7.1297 115.4606 51.4721 19.9335 178.2270 84 G 3.8352 7.9026 104.0176 45.0454 0.0000 174.0095 85 V 3.7490 7.6193 119.7329 61.8025 31.8763 174.5259 86 P 4.3668 0.0000 0.0000 63.1080 32.6481 176.8185 87 S 4.1217 8.8501 116.2207 62.1613 62.3548 177.0013 88 Q 3.9934 8.0056 119.6673 58.5122 28.8521 178.5214 89 K 4.1504 8.0636 118.7425 59.6801 31.9911 178.8336 90 I 3.7187 8.1092 118.9493 64.4553 37.6869 177.0499 91 D 4.6505 8.4205 117.2898 55.9384 40.8374 176.8309 92 H 4.8113 8.4382 118.1794 57.3563 31.1838 175.9988 93 T 3.7621 7.2198 114.1931 65.4139 67.8456 174.9468 *95 D 4.5181 7.8653 120.6114 53.9033 42.9068 175.9713 96 I 4.0459 7.5799 117.4827 62.5264 38.5445 176.5998 97 I 3.8530 7.9670 120.7458 64.6213 37.0162 176.9005 98 N 4.4344 8.1027 115.8986 56.2695 37.8253 176.5316 99 T 4.2212 8.3050 111.0047 60.3434 66.3653 174.8152 100 I 4.1914 7.0060 121.7621 60.0560 39.2497 174.0027 *111 A 4.4363 8.2888 127.8672 51.3571 20.1007 176.7324 112 T 4.7646 7.1669 109.7017 62.0129 72.9140 175.5166 113 R 3.9555 8.7040 122.7495 59.6544 30.4220 178.4514 114 E 4.0406 8.3637 116.6511 59.4289 29.7053 179.3271 115 A 4.3114 7.5718 119.4311 52.5574 18.0256 179.4039 *117 V 3.9502 7.9639 120.6287 64.5257 33.2470 177.8955 118 V 3.5949 7.4851 118.3837 65.7248 31.1985 178.0659 119 Q 3.9185 8.2428 118.2307 58.9500 28.3891 178.4062 120 D 4.2314 8.0030 118.9605 57.4468 40.8055 178.2052 121 A 3.8968 7.7031 119.7541 55.5324 18.4080 178.9845 122 D 4.2985 7.8452 116.1522 57.3695 41.5175 178.4713 123 R 4.0497 7.9073 115.8540 58.2467 29.4441 177.8681 124 L 4.1437 8.9262 121.9054 56.8120 41.9158 177.0004 125 D 4.4307 7.4823 115.9718 55.1548 41.1938 176.1175 126 A 4.2133 7.9438 120.9784 53.4942 19.3445 176.9900 127 L 4.4586 7.3520 114.9822 53.1173 44.3507 176.0503 128 G 3.9365 8.6104 105.4167 44.6376 0.0000 173.8279 129 A 4.2337 8.8719 119.1987 55.3457 18.2181 179.8785 130 I 3.7358 7.8523 111.2015 64.1589 37.6560 178.4831 131 G 3.6616 7.8773 108.4450 46.8580 0.0000 175.5265 132 I 3.7241 8.1314 122.4209 63.9643 37.0763 178.4075 133 A 4.0403 8.1772 121.7007 55.3670 18.3410 179.6904 134 R 3.7480 8.3861 117.4216 59.7815 29.9317 178.7163 135 T 3.4175 7.5866 115.7640 66.3995 68.3135 176.7574 136 F 4.2931 7.8046 118.9015 60.1121 38.8864 177.8557 137 A 4.0448 8.1383 120.9774 55.5573 18.3386 179.1224 138 Y 4.1398 8.1839 115.1374 61.4132 37.9579 179.3207 139 S 4.2942 8.4521 116.2192 61.6759 62.4690 177.0413 140 G 3.6843 7.9619 108.2699 47.7368 0.0000 175.3121 141 N 4.4038 7.9718 118.6323 56.3137 39.0922 176.9081 142 K 4.1441 8.3479 119.0443 56.8624 32.2570 177.2749 143 G 3.8030 7.6503 106.1950 46.6670 0.0000 173.1000 144 Q 4.7019 7.6918 116.7197 52.6522 31.4384 173.0989 145 P 4.6167 0.0000 0.0000 62.1683 32.4524 177.4911 146 I 3.9628 8.5824 114.1617 64.1951 37.8865 175.4546 147 Y 4.8651 7.5223 118.2029 56.2465 41.6685 172.8930 148 D 4.4098 7.4567 125.1275 51.5345 43.1487 174.1303 149 P 4.1870 0.0000 0.0000 64.8764 31.6685 177.3951 150 E 4.0392 8.8178 118.8174 58.1515 29.7192 176.4082 151 L 4.2366 7.5533 121.1276 53.1112 42.0005 174.3613 152 P 4.4689 0.0000 0.0000 61.7320 32.2553 176.0681 153 I 4.4394 7.9514 113.6203 60.7028 38.9088 175.2844 154 R 4.3088 7.6644 120.4879 55.6346 30.5883 175.7397 *158 T 4.2780 8.0445 110.0192 62.9266 71.0405 175.8073 159 V 3.7229 7.5568 121.1353 64.9321 32.1701 177.9794 160 E 4.2165 8.1099 115.2224 56.7854 29.6349 177.5006 161 E 3.5535 7.1032 116.8907 59.6454 28.1595 176.3269 162 Y 4.7799 8.1854 116.1174 57.9679 39.7231 177.6438 163 R 4.1533 8.0211 119.9021 58.9853 30.6106 174.8276 164 H 4.4809 7.9872 116.7218 56.7940 36.0829 171.9137 165 G 3.8983 8.2790 110.7458 44.8764 0.0000 171.9408 166 K 3.9818 8.3928 124.7808 56.3956 32.0548 176.4683 167 S 4.8706 8.3735 119.6209 56.2536 65.3871 172.9983 168 T 4.8442 7.8503 108.9239 58.9431 72.6040 173.8787 169 A 3.6606 8.0283 124.6195 55.7140 18.6809 179.8570 170 I 3.8840 7.7939 117.4614 64.8876 37.2008 178.4506 171 N 4.4787 8.5418 117.3666 56.5968 38.3517 176.8757 172 H 4.0064 8.3860 119.7429 58.7114 29.6723 177.4556 173 F 3.6549 7.6868 119.9270 60.5448 38.4691 176.8400 174 Y 4.5187 7.5532 113.2670 59.6939 38.0315 176.8701 175 E 4.3136 8.0698 119.3318 57.3813 30.1533 175.9263 176 K 4.2715 7.5385 115.8608 57.9468 34.0870 176.8640 177 L 4.0090 7.5887 117.9231 58.1709 41.6773 179.2896 178 F 4.5998 8.4280 116.8519 59.1966 39.3487 175.8638 179 K 4.8041 7.9058 120.1262 56.6453 32.8376 176.6581 180 L 4.5344 7.7457 119.8030 57.1266 43.9542 179.3048 181 K 3.8766 8.2197 116.6032 59.8316 32.2789 177.8753 182 D 4.4271 8.1459 117.2489 57.4209 41.5124 177.5239 183 L 4.1763 7.2823 117.9664 55.1261 39.3430 176.5890 *185 N 4.7252 7.4519 117.8341 53.4030 41.4887 175.7560 186 T 3.9909 9.2035 115.7193 63.8285 69.7710 175.4427 187 E 3.9462 8.9496 125.0817 60.1062 29.6095 179.9918 188 T 4.0340 7.7835 115.2582 66.1441 68.3354 176.9108 189 G 3.6531 7.8909 107.9796 47.9518 0.0000 175.8434 190 K 4.0136 8.0386 121.1112 59.0239 32.1529 178.5377 191 Q 3.9403 7.9077 119.3711 59.5934 28.9109 178.7038 192 L 3.9652 8.2298 119.1364 57.8560 41.7658 179.5008 193 A 4.0591 8.4522 120.9896 54.8217 18.1484 179.7693 194 K 3.8643 8.1478 118.4388 59.8268 32.2296 178.7972 195 E 4.0209 7.8640 117.6155 58.9292 29.4168 178.8860 196 R 4.1691 8.0636 118.3614 59.5026 30.1569 177.9281 197 H 4.1912 8.1696 116.6097 59.5798 29.9177 177.2427 198 V 3.7146 7.8291 113.9040 64.2358 31.3028 179.1764 199 F 4.4517 7.7551 118.4487 59.0098 39.1910 176.4525 *201 E 4.1600 8.2616 120.4926 55.8822 31.3965 178.0085 202 Q 3.9314 8.7490 120.2703 59.0486 28.9554 178.2459 203 F 3.8807 8.2241 122.0795 61.1950 39.4106 177.3749 204 I 3.7423 7.7742 111.9082 63.4579 37.1597 177.4366 205 E 4.0244 7.9648 121.2529 58.9519 29.6934 178.3206 206 R 3.8870 7.6620 119.7967 58.4546 29.7937 178.3905 207 F 3.8639 8.0104 120.6596 60.8505 39.6700 176.9156 208 L 4.1231 7.8587 119.7918 58.8599 39.9147 179.2041 209 S 4.1364 8.3202 115.6473 61.3620 62.5200 176.4501 210 E 3.9760 7.8208 120.6263 58.5184 29.2210 178.4760 211 W 4.4216 7.8879 127.9629 59.6239 30.6607 175.2673 212 N 4.6424 8.0884 111.7865 51.8133 40.6464 174.5472 213 G 3.7440 8.3856 114.4928 46.9475 0.0000 173.0064 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 N 8.42 4.67 0.00 2.66 2.77 0.00 0.00 6.70 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.34 4.06 0.00 1.57 1.56 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 1.47 1.47 0.00 4 Q 8.60 4.03 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.66 2.38 0.00 5 A 8.07 4.54 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.87 3.84 2.30 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 1.32 0.00 0.00 7 L 7.93 4.22 0.00 2.09 1.84 1.10 1.09 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 8 Q 8.40 3.74 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 9 S 8.52 4.29 0.00 4.62 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 10 A 8.28 3.97 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 11 E 8.88 3.98 0.00 2.13 2.11 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 2.65 2.55 0.00 12 A 7.34 4.29 1.49 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 13 W 8.02 4.25 0.00 3.36 3.19 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 14 V 7.74 3.43 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.63 0.00 0.00 15 K 7.50 3.62 0.00 0.98 1.48 0.00 0.94 0.00 0.00 1.25 0.00 0.00 2.58 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.51 0.21 7.81 16 K 8.29 4.02 0.00 2.04 2.02 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.93 7.81 17 Q 7.99 4.36 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.54 0.00 0.00 0.00 0.00 0.00 2.67 2.77 0.00 18 L 7.15 4.37 0.00 1.97 1.72 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *20 D 7.55 4.57 0.00 2.94 2.94 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 0.00 0.00 0.00 21 E 8.73 4.06 0.00 2.00 1.76 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 2.46 2.44 0.00 *26 D 8.94 4.70 0.00 2.83 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 27 W 8.11 4.32 0.00 3.41 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 28 Y 8.05 3.54 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 29 H 7.72 4.01 0.00 3.38 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.34 3.50 1.62 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 1.43 0.80 0.63 0.00 0.00 31 R 7.06 3.22 0.00 0.67 1.52 0.00 3.27 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 32 R 8.09 3.80 0.00 1.87 1.99 0.00 3.29 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 33 V 7.70 3.60 1.81 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 0.65 0.00 0.00 0.87 0.00 0.00 34 T 7.48 3.96 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 1.15 0.00 0.00 35 L 7.73 3.89 0.00 1.80 1.65 0.91 0.98 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 *37 A 7.85 4.16 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 38 K 7.54 3.97 0.00 1.92 1.92 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.56 7.81 39 A 8.43 3.96 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 40 I 7.86 3.80 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 1.55 0.65 0.90 0.00 0.00 41 G 8.33 3.70 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 0.00 0.00 0.00 42 E 8.05 4.23 0.00 2.22 2.23 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 2.58 2.36 0.00 43 Q 7.79 4.06 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.18 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 44 E 7.67 4.42 0.00 2.08 1.95 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 2.44 2.47 0.00 45 K 7.44 3.78 0.00 1.84 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 V 7.22 4.25 2.29 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 0.71 0.00 0.00 1.04 0.00 0.00 47 D 9.62 4.61 0.00 2.81 2.67 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 48 V 8.21 3.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.01 0.00 0.00 49 F 8.37 4.75 0.00 3.13 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 50 V 7.98 3.29 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 0.98 0.00 0.00 0.75 0.00 0.00 51 V 7.54 3.53 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 0.99 0.00 0.00 0.96 0.00 0.00 52 Q 7.62 3.91 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 53 I 7.83 3.49 1.60 0.00 0.00 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 1.15 1.03 1.11 0.00 0.00 54 A 8.53 3.94 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 55 A 7.89 3.85 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 56 L 7.32 3.75 0.00 1.06 0.78 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.43 4.72 0.00 2.92 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 58 H 8.27 4.06 0.00 3.18 3.72 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.72 4.12 0.00 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0.00 0.00 7.21 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 75 Q 8.46 4.05 0.00 2.26 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.85 2.72 0.00 76 L 7.09 4.08 0.00 1.64 1.26 0.42 -0.45 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 77 I 7.66 3.80 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 1.55 1.03 0.98 0.00 0.00 78 D 8.82 4.57 0.00 3.01 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 79 W 7.98 3.89 0.00 3.37 3.55 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 *81 E 8.27 4.21 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 82 A 7.89 4.09 1.13 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 0.00 0.00 83 A 7.13 4.18 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 0.00 0.00 0.00 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3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 146 I 8.58 3.96 2.23 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 1.62 1.26 1.15 0.00 0.00 147 Y 7.52 4.87 0.00 2.90 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 0.00 148 D 7.46 4.41 0.00 2.55 2.29 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 0.00 149 P 0.00 4.19 0.00 2.37 2.40 0.00 3.83 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.47 0.00 150 E 8.82 4.04 0.00 2.20 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 2.36 2.41 0.00 151 L 7.55 4.24 0.00 1.55 1.49 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.47 0.00 2.20 2.01 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 153 I 7.95 4.44 1.88 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 1.34 1.50 1.08 0.00 0.00 154 R 7.66 4.31 0.00 2.08 1.66 0.00 3.33 0.00 0.00 3.57 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 *158 T 8.04 4.28 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 1.20 0.00 0.00 159 V 7.56 3.72 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 1.01 0.00 0.00 0.93 0.00 0.00 160 E 8.11 4.22 0.00 2.17 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 2.34 2.23 0.00 161 E 7.10 3.55 0.00 2.07 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 0.00 2.21 2.39 0.00 162 Y 8.19 4.78 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 0.00 163 R 8.02 4.15 0.00 1.85 2.11 0.00 3.28 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 164 H 7.99 4.48 0.00 3.03 3.24 0.00 6.04 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 0.00 165 G 8.28 3.90 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 0.00 0.00 0.00 166 K 8.39 3.98 0.00 1.74 1.79 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 167 S 8.37 4.87 0.00 3.70 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 0.00 168 T 7.85 4.84 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 1.15 0.00 0.00 169 A 8.03 3.66 1.14 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 0.00 0.00 170 I 7.79 3.88 2.18 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.02 1.08 0.00 0.00 171 N 8.54 4.48 0.00 2.88 2.86 0.00 0.00 6.70 8.13 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 0.00 172 H 8.39 4.01 0.00 3.04 3.04 0.00 5.58 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 0.00 173 F 7.69 3.65 0.00 2.83 1.45 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 0.00 174 Y 7.55 4.52 0.00 3.02 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 E 8.07 4.31 0.00 1.83 1.88 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 2.17 2.42 0.00 176 K 7.54 4.27 0.00 1.31 1.51 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.31 7.81 177 L 7.59 4.01 0.00 1.69 1.69 0.67 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.43 4.60 0.00 3.10 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 0.00 179 K 7.91 4.80 0.00 1.86 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.36 7.81 180 L 7.75 4.53 0.00 1.77 1.70 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 181 K 8.22 3.88 0.00 1.72 1.93 0.00 1.50 0.00 0.00 1.29 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.68 7.81 182 D 8.15 4.43 0.00 2.67 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 0.00 183 L 7.28 4.18 0.00 1.81 1.65 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *185 N 7.45 4.73 0.00 3.00 2.85 0.00 0.00 7.24 7.54 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 0.00 186 T 9.20 3.99 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 1.36 0.00 0.00 187 E 8.95 3.95 0.00 1.97 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 2.40 2.35 0.00 188 T 7.78 4.03 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 0.00 189 G 7.89 3.65 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 0.00 0.00 0.00 190 K 8.04 4.01 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.65 7.81 191 Q 7.91 3.94 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 192 L 8.23 3.97 0.00 1.73 1.69 0.91 0.67 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 0.00 193 A 8.45 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 8.15 3.86 0.00 2.01 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 195 E 7.86 4.02 0.00 2.04 1.98 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 2.31 2.35 0.00 196 R 8.06 4.17 0.00 2.12 2.03 0.00 3.40 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 197 H 8.17 4.19 0.00 3.25 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 7.83 3.71 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 0.79 0.00 0.00 1.06 0.00 0.00 199 F 7.76 4.45 0.00 3.02 3.23 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 *201 E 8.26 4.16 0.00 2.11 1.90 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 1.84 1.83 0.00 202 Q 8.75 3.93 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 203 F 8.22 3.88 0.00 2.60 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 0.00 204 I 7.77 3.74 1.77 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.31 0.00 0.00 205 E 7.96 4.02 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 206 R 7.66 3.89 0.00 1.95 1.82 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 207 F 8.01 3.86 0.00 2.71 3.03 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 0.00 208 L 7.86 4.12 0.00 1.91 1.86 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 209 S 8.32 4.14 0.00 4.05 4.17 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 0.00 210 E 7.82 3.98 0.00 2.03 1.89 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 2.25 2.31 0.00 211 W 7.89 4.42 0.00 3.13 3.26 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 0.00 212 N 8.09 4.64 0.00 2.69 2.57 0.00 0.00 6.83 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 G 8.39 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 * Residues marked with a * may have inaccurate shift predictions.