NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 L 4.2412 8.1849 120.7462 51.1281 42.8569 176.7751 4 I 2.9425 8.3126 118.1581 60.0594 34.3929 170.9226 5 P 4.7216 0.0000 0.0000 60.9945 34.5292 176.2185 6 E 4.2127 8.4128 117.0755 56.1338 30.1905 178.3713 7 I 3.3310 8.2711 122.7654 64.7244 36.8731 178.5738 8 D 4.3864 8.0551 117.9055 56.8141 40.7382 177.7881 9 A 4.3390 7.6959 120.0744 53.6866 19.0532 179.0936 10 F 4.2095 7.9533 118.5311 60.5307 40.0978 175.8016 11 L 4.3489 7.3904 117.5090 54.4538 41.9879 177.6719 12 G 3.7685 8.6727 110.7502 47.5205 0.0000 172.9242 13 C 4.5973 7.4237 112.3777 56.7889 31.7677 171.4718 14 P 4.6671 0.0000 0.0000 61.4733 32.3909 175.8136 15 T 3.7944 9.3756 117.0053 63.0398 68.8682 173.2909 16 P 4.5390 0.0000 0.0000 62.2167 32.4952 177.1797 17 D 4.4221 8.8295 120.7506 57.6189 40.5395 179.0154 18 A 4.0367 8.0831 120.7145 54.6881 18.3043 179.4593 19 W 3.8963 8.0287 126.6418 60.5657 30.7497 178.1810 20 I 3.5439 8.1605 121.7757 65.1344 36.4831 178.5033 21 E 3.8342 8.1175 118.6424 61.2044 29.2263 180.9077 22 A 4.0036 7.2146 120.3566 54.8489 18.7165 179.3539 23 A 3.6856 7.1500 119.2313 55.0226 18.0512 179.9147 24 L 3.9375 7.7857 116.7885 57.4030 41.7584 178.6135 25 A 4.3475 7.3463 118.1541 52.1790 20.2199 177.5174 26 D 4.7027 7.5389 116.3650 52.5210 42.5212 176.0033 27 Q 4.1042 7.8999 122.0024 58.7417 29.4401 177.9892 28 E 3.9804 8.1276 120.2341 59.5064 29.7209 178.8542 29 T 3.9416 7.9002 115.5699 66.2990 68.4328 176.2478 30 L 4.1388 7.8129 121.9321 58.3991 42.0886 178.9185 31 L 4.2421 8.2722 120.0839 58.3432 42.0169 179.0039 32 I 3.7733 7.8343 119.5136 64.3851 37.0577 177.9118 33 D 4.4112 8.4806 119.0586 57.4608 41.0749 177.6334 34 H 4.0537 8.8048 119.2050 59.2098 29.9607 176.7141 35 K 3.8583 8.2372 121.4317 60.0028 31.8964 178.1931 36 N 4.4838 8.4446 116.3695 56.6616 38.4820 177.1916 37 C 4.2474 8.7712 118.4005 62.9213 28.0707 176.0504 38 E 4.0993 8.4841 120.2355 59.3452 28.9625 179.2332 39 F 4.1413 8.2710 120.2694 61.2318 39.4208 177.3612 40 K 3.8403 8.5308 118.0957 59.3496 31.8318 179.0918 41 A 3.9723 8.2025 120.8280 55.1461 18.2826 179.6058 42 A 3.8655 7.6256 119.2585 55.2442 18.4386 179.8392 43 S 3.7977 7.7984 111.9249 61.7343 62.4179 176.5623 44 T 3.8732 8.5766 118.6614 66.3590 68.1563 176.5254 45 A 4.0365 8.0137 122.7612 55.3384 18.4669 179.7697 46 L 3.9834 7.9020 117.4315 57.9309 41.6336 179.9180 47 S 4.1301 8.1326 115.2864 61.5315 62.6502 176.6936 48 L 4.1551 8.1176 121.6949 57.9034 41.4741 179.6260 49 I 3.7401 7.7264 119.1313 64.2583 36.7882 178.4253 50 A 4.0608 7.7371 120.6813 54.8462 18.3006 179.4274 51 K 3.7808 7.7954 116.9247 59.1354 33.9595 178.2859 52 Y 4.5161 7.8790 118.6245 56.7653 34.7012 176.3095 53 N 4.8391 7.9833 113.9688 53.4980 38.2885 176.1642 54 T 4.4283 7.8276 107.4645 61.8273 69.7537 174.7237 55 H 4.5589 8.0985 121.1382 54.3247 28.3727 175.3591 56 L 3.9643 8.2956 127.4855 58.3597 41.9753 178.1764 57 D 4.3949 8.1866 116.7431 57.2589 40.8311 178.1506 58 L 4.1742 7.8875 119.4919 58.1448 42.1963 178.8074 59 I 3.9110 7.6074 118.4913 64.0024 38.8617 177.6750 60 N 4.5585 7.9794 118.0424 53.5886 34.3574 175.1785 *63 S 4.3397 7.6948 118.3928 58.3027 65.0784 175.8963 64 R 3.9251 7.7748 118.6704 59.0400 29.6771 178.8275 65 L 3.8005 7.7804 119.4074 58.0592 42.1424 178.5442 66 A 3.9578 7.9474 120.1816 55.2866 18.2640 179.6372 67 R 3.8567 7.8568 115.9796 59.4830 30.1700 179.1303 68 E 3.9236 8.2361 118.2661 59.5343 29.3930 179.3220 69 E 3.9900 8.7710 118.8552 59.3718 29.4063 179.3927 70 L 4.0642 8.1544 119.1591 57.7547 41.5820 179.6627 71 V 3.6268 7.8208 118.1932 66.3145 31.4047 177.7564 72 H 4.5116 8.1117 115.9174 59.2058 28.5757 176.8570 73 H 4.1785 8.5656 120.1528 59.8207 29.6866 176.9955 74 E 3.9433 8.5544 120.1321 59.5324 29.3440 179.5271 75 Q 3.9711 8.4954 118.6134 58.7858 28.5387 178.8764 76 V 3.5169 7.8607 118.6825 65.8609 31.6587 177.7624 77 L 4.0694 7.7642 117.8571 57.8016 41.7205 179.1780 78 R 4.0188 8.0178 118.6631 58.9424 29.9559 177.7488 79 L 3.8320 7.3542 118.7864 55.2015 42.4001 178.5407 *81 K 4.1632 8.0060 119.1181 56.0089 33.7473 177.9049 82 R 3.9278 7.8244 116.0527 58.7410 29.9808 177.7464 83 R 4.3392 7.9381 114.3700 55.1981 30.2941 176.3364 84 G 3.8194 7.8253 105.7080 46.4247 0.0000 174.0469 85 V 3.9367 7.7623 119.9186 60.5238 31.8159 174.0420 86 P 4.5531 0.0000 0.0000 62.4310 32.1434 176.9922 87 L 4.3583 8.0813 120.0685 53.2587 40.0657 176.2572 88 R 4.6774 7.6786 117.9348 53.1520 32.0690 175.2285 89 P 4.4065 0.0000 0.0000 62.4670 31.9834 176.3288 90 V 4.3908 8.0966 121.6328 60.8100 34.0003 175.2835 91 S 4.3503 8.6807 121.6245 57.5267 63.7990 173.8289 92 A 4.0673 8.5076 125.3039 52.3467 18.5612 178.1411 93 G 4.3901 8.5306 111.9887 45.0395 0.0000 174.1516 94 R 4.1917 8.4901 114.9920 58.5648 29.6171 177.2649 95 Y 4.1151 8.3376 119.7288 61.4189 38.5940 177.8476 96 A 3.8750 8.1721 120.6017 55.3249 18.5293 179.6623 97 S 4.1961 8.1213 112.3363 61.1843 62.9773 176.6665 98 G 3.5761 7.9087 108.7955 47.8606 0.0000 175.4417 99 L 3.9490 7.7775 122.0496 57.1347 41.5412 179.6894 100 R 4.0514 7.8090 117.4058 58.4185 29.8056 178.7861 101 R 4.0534 7.5381 117.2135 58.1376 30.0829 177.7181 102 L 4.3564 7.3644 117.1860 53.7815 42.2218 176.7378 103 V 3.7645 7.0578 120.5171 62.1110 31.9736 176.1473 104 R 4.0971 9.0300 126.7194 56.0893 30.6268 176.8414 105 A 4.0557 8.4812 122.8679 54.6934 18.9652 177.9032 106 H 4.9834 7.7416 111.7390 54.0053 31.0238 174.2894 107 E 4.5802 8.5086 121.9596 55.6871 30.4248 175.5980 108 P 4.6652 0.0000 0.0000 63.6306 31.8011 178.3286 109 V 3.6994 7.6249 113.6421 64.2749 31.5672 177.7644 110 K 3.8569 8.2253 119.7435 59.5584 31.8675 178.5042 111 L 3.7452 7.8130 120.4649 57.9460 41.8843 178.9774 112 V 3.5722 7.2756 117.4763 66.2970 31.4517 177.7249 113 D 4.3658 8.2108 118.4576 57.7192 40.4825 178.9590 114 T 3.8872 7.9113 116.2491 66.6190 68.4129 176.7771 115 L 4.1517 8.2010 121.1157 57.6314 41.6729 179.6598 116 V 3.7024 8.1171 118.5384 66.0050 31.4333 178.1495 117 V 3.7908 8.0890 118.2203 66.0676 31.3277 178.2020 118 G 2.6888 7.6625 105.1443 47.3981 0.0000 175.4938 119 A 4.0946 7.6514 123.1152 54.9513 18.3502 179.8073 120 F 4.3307 8.5192 116.3744 60.7498 39.0246 177.9744 121 I 4.0033 8.1787 119.6797 64.5224 36.9538 178.4174 122 E 4.0438 8.4282 119.1354 59.2810 29.3623 178.9993 123 A 3.7530 8.5072 121.2511 55.3417 18.4299 179.7090 124 R 3.8278 8.5831 117.3684 59.5336 30.0975 178.8152 125 S 3.8379 8.1222 114.9513 61.5908 62.8587 176.0981 126 C 4.1280 8.0122 121.1667 62.5987 31.3312 175.1785 127 E 3.8763 8.1123 120.7049 59.4082 29.3233 178.8279 128 R 3.7169 8.2715 119.0263 59.1456 30.0414 178.4208 129 F 4.5880 8.3597 117.9689 60.6593 38.6831 177.4084 130 A 4.0889 8.1188 119.0460 55.2147 18.2401 179.2230 131 A 4.1488 7.8941 118.3299 55.2760 18.6399 179.5388 132 L 4.3278 8.1710 117.3122 57.5757 41.6979 179.3406 133 V 3.6820 7.9295 118.4099 66.0638 31.1763 176.4888 134 P 4.2586 0.0000 0.0000 65.1288 31.2477 177.3299 135 H 4.7146 8.1461 113.2022 55.2657 29.3520 175.1651 136 L 4.4724 6.9962 121.2152 53.0622 43.0605 176.1972 137 D 4.6229 8.1591 120.2930 52.9275 41.3642 177.0265 138 E 3.8646 8.5337 119.5346 59.3489 29.7133 177.9424 139 E 3.8949 8.1657 118.7728 59.5299 29.7417 178.5112 140 L 4.0558 9.0707 120.7049 57.9715 42.0812 179.1560 141 G 3.6184 8.3691 106.1393 47.6941 0.0000 175.7712 142 R 3.9686 8.3047 121.1985 58.9781 30.1782 178.4583 143 F 4.3251 8.1913 120.1823 61.6178 39.2331 176.8183 144 Y 3.5295 8.0157 115.1998 61.1096 37.8287 177.7474 145 H 4.3677 8.6331 119.5105 59.2025 29.7659 177.6246 146 G 3.6139 7.9025 106.5918 47.6307 0.0000 175.3547 147 L 3.8742 7.2668 120.0927 56.5515 41.4434 179.1808 148 L 4.0699 7.5487 121.9345 58.6418 41.6553 180.3618 149 K 4.0597 7.8906 122.6865 59.5728 31.6239 181.1282 150 S 4.1999 7.8796 114.8402 61.8476 62.8606 176.0841 151 E 4.1461 8.1848 121.0094 59.7509 29.1946 179.5581 152 A 4.1013 8.2742 122.9561 55.7178 18.4266 180.5242 153 R 3.9212 7.9099 119.1857 61.8846 29.4556 181.0235 154 H 4.4649 8.6025 117.5524 58.7939 28.7261 176.9110 155 Y 4.2171 8.3397 121.5939 61.2070 38.4562 178.3720 156 Q 3.5695 8.3197 118.6648 58.7708 28.8312 179.2052 157 G 3.5423 8.0913 106.5405 48.1690 0.0000 175.3425 158 Y 4.1148 7.9330 119.3005 60.6882 37.7985 178.5635 159 L 3.9268 7.7361 120.0338 57.4965 41.6301 179.4711 160 K 3.8764 8.2279 119.9551 59.3636 32.1137 178.8725 161 L 3.8111 8.0182 119.0660 57.5877 41.4291 179.1214 162 A 4.0217 8.2065 120.8550 55.8630 18.1127 179.5151 163 H 4.0668 8.1265 113.0831 58.8646 28.7704 177.2183 164 N 4.2861 7.9637 118.2733 55.8809 38.6916 175.0420 165 Y 4.8350 7.5815 114.7363 57.4470 38.5228 174.8698 166 G 4.2589 7.8465 108.2620 43.4299 0.0000 172.3826 167 D 4.8711 8.2454 118.3378 52.2702 43.8362 177.0429 168 E 3.9336 8.8239 123.7029 59.9030 29.5620 179.5276 169 A 4.0114 7.9098 119.7917 55.0531 18.5719 178.7090 170 D 4.3041 8.1220 116.1187 57.7477 41.1709 178.5333 171 I 3.6966 8.1059 120.1860 64.3178 37.0692 178.3025 172 A 4.0252 8.0533 121.6852 55.0191 18.1444 179.7518 173 R 3.7917 8.1627 117.2616 59.5830 30.2196 178.0053 174 C 3.9640 8.1799 118.6456 62.6995 31.4386 175.5565 175 V 3.7855 8.0501 119.7749 66.2816 30.6183 177.5017 176 E 3.8956 8.1244 118.7575 59.3780 29.3366 178.8233 177 L 3.9808 8.0065 119.0616 57.5714 41.7023 179.5614 178 V 3.3281 8.1540 118.7439 65.4844 31.1249 177.9741 179 R 3.4531 7.7463 118.0302 59.2012 29.9258 178.1046 180 A 4.0283 7.3166 118.7328 55.1253 18.7272 179.2618 181 A 4.0388 7.6102 119.1154 54.7405 18.3334 179.3438 182 E 3.7413 7.7999 116.2875 56.7943 29.6175 178.1323 *184 E 4.2351 8.1527 119.8901 55.6581 31.3802 177.7413 185 L 4.0956 7.8290 117.4264 57.6992 41.7533 178.6227 186 I 3.9218 8.0596 119.6512 63.6490 37.2564 177.6542 187 Q 4.3457 7.9840 119.3164 57.3758 29.8127 176.8386 188 S 4.4729 7.9486 116.7141 57.7868 63.5076 177.6345 189 P 5.0215 0.0000 0.0000 63.2927 32.1633 175.2644 190 D 4.8884 9.3690 123.1655 53.6186 45.0064 176.4301 *191 Q 4.4873 8.8736 120.4346 54.9335 29.0358 175.8770 192 E 4.7432 7.8941 114.8502 55.5559 32.8573 174.0774 193 L 4.6676 8.4006 121.5022 53.6318 42.7543 175.5377 194 R 4.9266 8.7842 124.3444 53.8847 34.1298 176.3583 195 F 4.2722 9.9572 121.5180 61.1551 39.3210 175.4709 196 H 4.3234 7.9801 116.8296 54.9808 29.1563 174.3518 197 S 4.6325 7.6516 113.8850 57.2793 64.3552 174.3169 198 G 3.9283 8.4526 109.7349 45.8068 0.0000 172.4740 199 I 4.2132 8.1963 121.3419 60.1660 38.0342 174.2831 200 P 5.4787 0.0000 0.0000 62.2695 31.9351 176.6420 201 Q 4.2966 8.5706 122.2176 56.0158 29.0102 175.4591 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 *3 L 8.18 4.24 0.00 1.68 1.41 0.92 0.57 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 4 I 8.31 2.94 1.79 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 1.47 0.76 0.75 0.00 0.00 5 P 0.00 4.72 0.00 2.29 2.18 0.00 3.87 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 2.27 2.21 0.00 6 E 8.41 4.21 0.00 2.04 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 2.42 2.28 0.00 7 I 8.27 3.33 1.68 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 0.48 0.02 0.76 0.00 0.00 8 D 8.06 4.39 0.00 2.64 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 9 A 7.70 4.34 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 10 F 7.95 4.21 0.00 3.00 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 11 L 7.39 4.35 0.00 1.73 1.63 0.97 1.20 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 12 G 8.67 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.42 4.60 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.67 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 15 T 9.38 3.79 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 1.15 0.00 0.00 16 P 0.00 4.54 0.00 2.26 2.00 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 17 D 8.83 4.42 0.00 2.71 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 18 A 8.08 4.04 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 19 W 8.03 3.90 0.00 3.44 3.36 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 20 I 8.16 3.54 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.90 0.80 0.00 0.00 21 E 8.12 3.83 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 2.25 2.21 0.00 22 A 7.21 4.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.15 3.69 0.44 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 24 L 7.79 3.94 0.00 1.52 1.69 0.83 1.11 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 25 A 7.35 4.35 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 26 D 7.54 4.70 0.00 2.68 2.44 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 27 Q 7.90 4.10 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 28 E 8.13 3.98 0.00 2.05 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 2.40 2.42 0.00 29 T 7.90 3.94 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 1.32 0.00 0.00 30 L 7.81 4.14 0.00 1.97 2.00 1.30 1.09 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 31 L 8.27 4.24 0.00 2.11 1.75 1.17 0.97 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 32 I 7.83 3.77 1.94 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 1.44 0.57 1.01 0.00 0.00 33 D 8.48 4.41 0.00 3.02 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 34 H 8.80 4.05 0.00 3.37 3.67 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.24 3.86 0.00 1.89 2.09 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.53 7.81 36 N 8.44 4.48 0.00 3.08 2.97 0.00 0.00 7.11 7.18 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 37 C 8.77 4.25 0.00 3.11 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 38 E 8.48 4.10 0.00 2.28 2.32 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 2.64 2.53 0.00 39 F 8.27 4.14 0.00 2.95 3.16 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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0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 118 G 7.66 2.69 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 0.00 119 A 7.65 4.09 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 0.00 120 F 8.52 4.33 0.00 3.31 3.16 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 0.00 121 I 8.18 4.00 2.01 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 1.69 1.13 0.99 0.00 0.00 122 E 8.43 4.04 0.00 2.30 2.34 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 2.65 2.86 0.00 123 A 8.51 3.75 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 0.00 124 R 8.58 3.83 0.00 2.20 2.10 0.00 2.89 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 125 S 8.12 3.84 0.00 4.11 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.01 4.13 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.11 3.88 0.00 1.98 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 2.27 2.42 0.00 128 R 8.27 3.72 0.00 1.43 1.40 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.91 0.00 129 F 8.36 4.59 0.00 3.18 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.12 4.09 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 0.00 131 A 7.89 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.17 4.33 0.00 2.29 2.02 1.43 0.81 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 0.00 133 V 7.93 3.68 2.19 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 1.09 0.00 0.00 1.25 0.00 0.00 134 P 0.00 4.26 0.00 1.86 2.05 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 135 H 8.15 4.71 0.00 3.28 3.34 0.00 5.64 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 0.00 136 L 7.00 4.47 0.00 1.59 1.55 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.16 4.62 0.00 2.93 2.80 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 0.00 138 E 8.53 3.86 0.00 2.09 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 2.37 2.43 0.00 139 E 8.17 3.89 0.00 2.05 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 0.00 2.33 2.35 0.00 140 L 9.07 4.06 0.00 1.81 1.48 0.92 1.29 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 0.00 141 G 8.37 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 0.00 142 R 8.30 3.97 0.00 2.17 1.99 0.00 3.11 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 143 F 8.19 4.33 0.00 3.12 3.24 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 0.00 144 Y 8.02 3.53 0.00 2.95 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 0.00 145 H 8.63 4.37 0.00 3.29 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.90 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 0.00 147 L 7.27 3.87 0.00 0.93 1.11 -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.55 4.07 0.00 1.60 1.69 0.87 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.89 4.06 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.10 7.81 150 S 7.88 4.20 0.00 3.91 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 0.00 151 E 8.18 4.15 0.00 2.20 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 2.66 2.76 0.00 152 A 8.27 4.10 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 0.00 153 R 7.91 3.92 0.00 1.86 1.95 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 154 H 8.60 4.46 0.00 3.51 3.60 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.34 4.22 0.00 2.96 3.24 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 0.00 156 Q 8.32 3.57 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.66 0.00 157 G 8.09 3.54 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 0.00 0.00 0.00 158 Y 7.93 4.11 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.74 3.93 0.00 1.50 1.58 0.31 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.23 3.88 0.00 1.80 1.93 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 161 L 8.02 3.81 0.00 1.95 1.83 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.21 4.02 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 0.00 163 H 8.13 4.07 0.00 3.06 3.36 0.00 5.86 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.96 4.29 0.00 2.56 2.07 0.00 0.00 7.07 7.14 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 0.00 165 Y 7.58 4.83 0.00 2.96 2.77 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 0.00 0.00 0.00 0.00 166 G 7.85 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 0.00 0.00 0.00 0.00 167 D 8.25 4.87 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.82 3.93 0.00 2.06 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 2.42 2.46 0.00 169 A 7.91 4.01 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 0.00 170 D 8.12 4.30 0.00 2.81 2.84 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 0.00 0.00 0.00 171 I 8.11 3.70 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.87 0.00 0.00 172 A 8.05 4.03 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 0.00 173 R 8.16 3.79 0.00 1.91 2.06 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 174 C 8.18 3.96 0.00 3.04 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 0.00 175 V 8.05 3.79 2.36 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 0.96 0.00 0.00 1.17 0.00 0.00 176 E 8.12 3.90 0.00 2.33 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 0.00 2.31 2.23 0.00 177 L 8.01 3.98 0.00 1.78 1.62 0.90 0.63 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 0.00 178 V 8.15 3.33 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 0.28 0.00 0.00 0.82 0.00 0.00 179 R 7.75 3.45 0.00 1.93 2.13 0.00 3.30 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 180 A 7.32 4.03 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 0.00 181 A 7.61 4.04 1.16 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 0.00 0.00 0.00 182 E 7.80 3.74 0.00 1.71 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 0.00 2.20 2.45 0.00 *184 E 8.15 4.24 0.00 2.18 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 2.25 2.32 0.00 185 L 7.83 4.10 0.00 1.93 1.85 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 186 I 8.06 3.92 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.81 0.00 0.00 187 Q 7.98 4.35 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 188 S 7.95 4.47 0.00 3.44 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 0.00 189 P 0.00 5.02 0.00 1.94 2.14 0.00 3.60 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 2.04 2.09 0.00 190 D 9.37 4.89 0.00 2.72 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 *191 Q 8.87 4.49 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 192 E 7.89 4.74 0.00 2.04 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 2.40 2.30 0.00 193 L 8.40 4.67 0.00 1.52 1.60 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 194 R 8.78 4.93 0.00 1.96 2.08 0.00 3.67 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 195 F 9.96 4.27 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 H 7.98 4.32 0.00 2.73 1.79 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 7.65 4.63 0.00 4.28 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 0.00 198 G 8.45 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 0.00 199 I 8.20 4.21 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.95 0.00 0.00 200 P 0.00 5.48 0.00 1.91 1.99 0.00 3.65 0.00 0.00 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 201 Q 8.57 4.30 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.