NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6867 8.3549 109.7351 45.1228 0.0000 172.8931 *2 K 4.2957 8.3490 120.5898 56.5628 33.8411 174.9486 3 I 5.0084 8.7677 126.3076 59.2982 40.4616 174.5520 4 A 5.0243 8.7659 128.6388 49.6130 21.2472 175.7285 5 V 4.5244 8.8395 124.2100 61.2550 33.3587 175.1925 6 L 4.7211 9.3207 130.8068 56.4203 42.5420 175.1234 7 G 4.0291 7.9034 113.9060 45.2046 0.0000 172.4263 8 T 4.2680 8.0648 114.5353 61.2664 69.7080 175.6285 9 G 3.9033 7.4237 109.8755 44.4856 0.0000 173.7667 10 T 3.7868 8.3564 115.5912 66.7072 68.1773 176.6155 11 V 3.5958 7.6238 118.4322 65.8860 31.7624 177.7615 12 G 4.1220 7.7538 104.8118 47.3400 0.0000 175.3322 13 R 3.2727 7.6710 120.6853 58.8310 29.9097 179.4758 14 T 4.0932 7.7844 111.0578 64.7992 68.0276 175.7201 *16 A 4.3284 7.9430 126.0711 52.3237 20.8248 179.9501 17 G 3.7325 8.6444 102.3035 48.0235 0.0000 175.7545 18 A 4.0867 8.0759 123.8194 54.8222 18.5283 179.7733 19 L 4.0469 7.9886 116.8082 57.7784 41.8027 179.3532 20 A 4.3399 8.1428 122.0878 54.9255 18.1580 179.4731 21 D 4.4027 8.0982 116.0057 57.2250 40.9532 178.2486 22 L 4.3047 7.5733 116.8649 55.2087 41.8703 177.6880 23 G 3.9471 7.9581 107.7459 45.0952 0.0000 173.5757 24 H 4.5524 7.9987 116.8571 55.2745 30.6196 174.5249 25 E 4.4425 8.7815 122.4130 55.4394 30.3970 174.5948 26 V 5.0090 8.4096 127.7811 61.2801 33.7491 174.3357 27 T 5.0648 8.9068 117.5258 60.0045 72.2115 172.7523 28 I 4.8805 9.0604 124.4016 59.6755 40.1389 174.8186 29 G 4.4976 9.1474 114.5397 45.3114 0.0000 172.4568 30 T 4.3318 7.7909 116.0028 60.1595 71.1792 175.1001 31 R 3.2346 7.9911 123.3548 58.4840 30.2725 177.8209 32 D 4.3907 7.3869 120.3145 51.0165 43.5006 173.2684 33 P 4.1639 0.0000 0.0000 66.1392 31.3913 179.2952 34 K 3.9604 8.0781 121.5513 59.7799 31.4881 180.7803 35 A 4.1696 7.5418 120.0184 55.1604 18.3904 179.5396 36 T 3.8901 7.9789 114.3411 66.9117 68.3141 176.9699 37 L 4.1422 7.8998 119.1927 57.5048 41.7160 178.9490 38 A 4.2833 7.8935 119.3278 52.7654 18.4908 177.8598 39 R 3.8950 7.2759 117.3031 56.4711 30.3384 176.4330 40 A 4.4012 8.6525 128.1555 53.8982 20.1538 177.9254 41 E 4.1868 7.9475 111.6015 54.9138 30.3961 178.8805 42 P 4.3925 0.0000 0.0000 61.2774 32.4652 173.3294 *48 P 4.2486 0.0000 0.0000 61.3934 32.5074 174.7293 49 P 4.5704 0.0000 0.0000 62.2341 32.4206 177.0455 50 F 4.0511 9.1297 122.7602 61.8065 38.9216 177.6777 51 S 4.3109 8.4270 114.7402 62.0097 62.7408 176.5677 52 Q 4.1936 7.9908 123.5717 59.1147 28.2696 181.9356 53 W 4.2972 7.8421 128.6163 60.5156 30.9465 177.5227 54 L 3.5237 7.7139 120.2925 57.9064 41.2085 177.2674 55 P 4.1541 0.0000 0.0000 65.2270 31.3124 177.6167 56 E 4.0288 7.5038 115.2394 57.0002 31.1279 176.4768 57 H 4.5929 7.3376 116.1185 52.7400 28.9580 172.3321 58 P 4.1080 0.0000 0.0000 65.7538 31.4974 178.0229 59 H 4.5133 7.8643 113.6941 56.6628 29.1721 174.8667 60 V 4.7974 7.4202 119.9983 61.1289 32.8525 174.7973 61 H 5.0813 8.8249 123.1184 53.9413 32.5800 171.9874 62 L 5.2388 8.5833 123.3878 53.9908 44.0466 174.9402 63 A 4.5936 8.4619 125.5758 50.9361 23.5670 175.4520 64 A 4.6998 8.3033 120.6810 51.4706 19.4381 178.5656 65 F 4.3757 8.6115 119.0761 61.1148 38.9153 178.2462 66 A 4.5887 8.0313 120.6927 54.8773 17.7566 179.3048 67 D 4.3149 8.0224 116.8803 57.6050 40.7934 179.2918 68 V 3.6888 7.7393 111.7848 64.1885 31.7342 178.2472 69 A 4.1009 8.1727 120.4543 55.0994 18.0261 179.4589 70 A 4.1750 7.9022 118.4183 55.0859 18.5243 179.4265 71 G 3.7313 7.7350 101.1071 44.9394 0.0000 173.7327 72 A 4.6640 6.9992 123.4143 51.0559 20.5460 176.8519 73 E 4.3530 8.8074 120.1995 57.9143 30.6892 177.0322 74 L 4.9432 7.7804 119.8048 53.0607 46.2001 175.3475 75 V 4.8564 8.6166 124.4118 61.0250 34.8786 174.1218 76 V 4.6898 8.9406 127.4584 61.1066 34.1101 173.8238 77 N 4.9421 9.4712 127.7780 52.1535 39.3474 174.7689 78 A 4.7527 8.9762 132.7961 51.7768 19.7991 175.7009 79 T 4.2943 7.8170 109.4920 60.7367 71.1289 173.6002 80 E 3.9117 8.7501 122.6568 56.9530 30.1294 177.6100 81 G 4.0303 9.4480 114.3290 46.7045 0.0000 175.0351 82 A 4.1608 8.1185 120.9922 53.8325 18.6027 178.5318 83 S 4.6420 7.9684 111.9584 58.3402 63.7543 176.1427 84 S 4.2296 7.7785 121.1991 61.0965 62.5239 176.4725 85 I 3.9052 7.7826 121.6605 64.3577 36.8950 178.1383 86 A 3.9720 7.9862 120.7637 55.0409 18.2322 179.3190 87 A 3.5447 8.1121 119.4646 55.3167 18.4634 179.9531 88 L 3.5917 7.9846 117.7522 57.9865 41.3334 179.9215 89 T 4.1313 8.1084 115.0244 66.6760 68.4754 176.2311 90 A 4.1769 7.9046 121.5271 55.0698 18.7279 179.1610 91 A 4.2062 8.0337 119.6633 52.5120 18.3775 177.9552 92 G 4.0085 7.9939 105.8842 46.1533 0.0000 173.8794 93 A 4.1009 9.1058 127.5564 55.4658 18.1091 178.9873 94 E 3.9900 8.2495 114.3103 59.3997 29.5993 178.2028 95 N 4.6112 8.0362 114.8531 53.9952 39.2742 176.0520 96 L 4.4187 7.7239 120.0080 54.1050 42.7005 176.3695 97 A 4.0812 7.6602 121.5195 53.8407 18.4478 177.7844 98 G 3.9541 9.0268 111.3935 45.4605 0.0000 173.2698 99 K 4.7016 7.5582 119.0201 54.2132 35.5100 175.7486 100 I 4.2372 8.2040 123.4877 61.3582 38.5698 174.7876 101 L 4.9418 8.8882 129.2964 53.2055 44.1833 175.3544 102 V 4.2535 8.9525 128.6721 62.3260 32.7709 174.2971 103 D 5.0167 9.2382 129.8221 53.1666 42.1168 176.3269 104 I 4.6282 8.3021 126.1073 61.0058 38.2719 176.4697 105 A 4.1521 8.0603 125.1043 51.8732 18.9687 176.5778 106 N 4.9291 8.3703 117.4838 50.8580 41.7739 173.7754 107 P 4.8937 0.0000 0.0000 62.0777 29.6299 175.9832 108 L 4.3179 7.6013 120.0452 55.4612 43.3842 178.1159 109 D 4.6879 8.8862 122.9963 52.6902 43.0609 175.7421 110 F 4.7834 8.7859 123.9028 57.2655 39.5068 177.4542 111 S 4.2875 8.6545 120.4171 61.6561 63.3762 175.2580 *112 H 4.8669 8.0285 115.7521 51.6138 28.6096 175.7251 113 G 3.8210 7.7832 112.0168 43.9931 0.0000 168.5010 *115 P 4.2533 0.0000 0.0000 61.4571 32.4698 174.3144 116 P 4.4384 0.0000 0.0000 63.2608 32.1574 175.7549 117 T 4.6753 7.9584 111.0502 60.1540 72.1050 172.4195 118 L 5.1545 8.1913 120.0435 53.5024 44.3330 176.5898 119 N 4.7326 8.7279 121.9958 52.1312 41.2972 172.4925 120 P 4.5833 0.0000 0.0000 62.7380 32.3622 175.4943 121 V 4.1906 8.0127 115.2880 62.0757 33.1605 171.9388 122 N 4.4628 8.6535 123.1681 53.8834 38.1276 174.9419 123 T 4.3789 7.4298 105.7882 61.4374 69.7281 173.2188 124 D 4.7364 7.3551 120.2742 52.8265 44.7312 174.4034 125 S 4.7437 8.0493 115.8936 55.6050 67.3179 174.8335 126 L 4.0069 9.1279 125.1820 58.1912 41.8348 179.5170 127 G 3.6983 8.5413 105.8062 48.0477 0.0000 175.3817 128 E 3.9915 8.1535 121.4315 59.0315 29.4765 179.4258 129 Q 3.9674 8.1990 118.0245 59.0969 28.8282 179.1299 130 I 3.8313 8.0404 120.9206 64.5036 37.0556 178.3174 131 Q 4.0421 8.2144 120.5961 59.1724 28.7174 178.3368 132 R 4.0003 7.9955 115.7201 59.0375 29.7536 178.5279 133 T 3.8257 7.7042 116.1996 64.7858 69.9735 174.7792 134 F 4.9453 7.8763 118.9804 54.7212 39.0048 173.9171 135 P 4.5572 0.0000 0.0000 64.6609 31.8219 178.0172 136 E 4.1519 8.1825 118.1466 57.0337 30.1013 175.5681 137 A 4.5883 7.8561 119.9495 52.3673 19.6932 177.9937 138 K 4.3825 8.8451 120.5264 54.7321 32.4756 174.8396 139 V 4.2149 8.8978 124.6201 62.3895 32.6662 175.1383 140 V 4.5315 8.8056 127.6756 60.9005 34.4084 174.0891 141 K 4.7040 9.0914 131.1389 56.4672 33.2334 175.5134 142 T 4.8121 8.8554 119.8495 63.3852 70.9879 174.4684 143 L 3.8509 8.8557 123.1651 55.2238 40.1557 176.3037 144 N 4.2729 7.8110 115.4450 55.0910 37.3248 175.2939 145 T 4.3244 7.1684 108.9363 61.9986 69.4137 174.0359 *147 N 4.2939 8.0012 118.9731 53.8458 40.0240 174.4237 148 A 3.9775 8.8111 127.3642 55.4976 18.8617 179.0183 149 S 4.2638 7.9869 109.2292 61.6913 63.3396 175.8314 150 L 4.3878 7.3113 120.5414 54.0515 40.1382 177.8991 *152 V 4.1229 7.4339 110.9414 61.1661 34.6749 176.2640 153 D 4.7861 7.8906 118.8069 51.7150 41.0447 173.9499 154 P 4.2835 0.0000 0.0000 65.3272 31.9385 179.5332 155 G 3.8077 8.1088 107.0283 48.1199 0.0000 174.7257 156 R 3.8837 7.9104 118.2395 58.0467 30.4025 176.4012 157 A 4.4834 7.9422 121.1125 50.8874 20.3462 176.3645 158 A 3.5318 9.4364 127.6205 53.8784 16.2217 177.4200 159 G 3.9050 9.1404 103.1491 47.6091 0.0000 175.2009 160 G 3.8124 8.2427 105.4634 45.3903 0.0000 174.6823 161 D 4.5134 7.8542 119.4075 54.2992 39.6646 174.6963 162 H 4.8550 7.9737 119.7510 54.7944 31.0597 173.1240 163 S 4.9406 8.9178 116.2944 56.5160 65.6370 174.3780 164 V 4.2172 8.2391 122.0670 59.7916 34.4318 174.4149 165 F 5.5020 8.4447 120.1572 55.9218 42.5043 174.6221 166 V 4.8358 8.8008 114.4281 59.8210 35.2457 174.9641 167 S 5.0519 9.3149 119.7543 56.0182 66.9867 173.6173 168 G 4.4485 8.2947 113.8620 46.4554 0.0000 173.6519 169 N 4.4104 8.8680 119.0281 54.9430 39.2417 175.3993 170 D 4.6748 7.8858 117.4603 52.4819 42.1639 176.2630 171 A 4.0010 8.5404 130.0285 55.2386 18.4883 178.7747 172 A 3.9228 8.0775 118.5441 55.0741 18.4841 179.4867 173 A 3.9267 8.5950 119.5578 55.4271 18.4609 180.0298 174 K 3.9037 8.1818 116.7081 59.4647 32.0538 179.4651 175 A 4.0018 8.2119 121.1276 55.1884 18.4024 179.5262 176 E 3.9004 8.2135 117.1113 59.5888 29.4932 179.8053 177 V 3.5776 8.0269 118.0953 65.8606 31.5091 177.7744 178 A 4.0116 8.4086 120.9767 55.5203 18.1658 179.7312 179 T 3.7952 7.9094 114.1038 66.6888 68.6675 176.6064 180 L 3.9716 7.8355 121.9547 58.1501 42.1332 178.8885 181 L 4.0653 8.3069 119.3556 57.7785 41.5690 179.4427 182 K 4.3508 8.5919 121.2176 59.0494 31.9312 179.0091 183 S 4.2001 7.9698 113.4155 61.0490 62.9366 175.5824 184 L 4.3454 7.4929 119.8192 54.8524 41.6965 177.4312 185 G 3.8790 8.0047 107.6036 45.3249 0.0000 173.6514 186 H 4.6236 8.1987 118.2007 55.0060 28.0144 175.8699 187 Q 4.2612 8.4966 123.4777 56.5396 29.3486 175.9518 188 D 4.6678 7.5929 117.6723 52.0129 42.6653 172.5390 189 V 4.5364 8.1046 122.9257 60.9229 33.2298 174.3060 190 I 4.4160 8.5734 129.7109 59.5967 39.4618 174.4363 191 D 5.0589 8.7401 127.6609 53.3347 40.6805 175.9878 192 L 4.0434 8.8107 127.6985 55.8025 42.1084 177.2985 193 G 3.8622 8.0541 106.1030 44.2724 0.0000 172.6055 194 D 5.4197 8.5647 125.3529 52.2824 42.0305 176.7412 195 I 3.7392 8.7299 118.5184 64.1464 37.6741 177.6947 196 T 4.1149 8.0463 110.3965 64.1975 68.4496 175.8620 197 T 4.0910 8.1727 111.9442 63.1462 68.8799 176.0389 198 A 3.9866 8.1194 124.5689 54.7964 18.0468 179.6151 199 R 3.8997 7.5508 116.3831 59.5211 30.2738 178.9133 200 G 3.6392 7.9181 103.3952 47.6702 0.0000 174.9635 201 A 3.9198 7.3230 122.2047 54.6249 18.9385 181.4302 202 E 4.0770 8.3491 118.8593 56.1476 29.4468 179.0485 *204 L 4.2794 8.0017 119.7711 54.6034 44.1550 179.5488 205 L 4.2090 8.0838 119.1771 57.3226 41.3657 177.3329 206 P 4.3442 0.0000 0.0000 65.8431 31.3311 179.0119 207 V 3.8044 7.9399 117.2857 64.2612 31.4272 177.8603 208 W 4.4007 8.6659 129.1857 60.6921 30.5733 177.9203 209 I 4.0420 8.5836 119.8260 64.7974 36.6004 178.7532 210 R 4.0746 8.0549 118.5655 59.0713 29.8676 179.1181 211 L 3.6964 8.4122 119.4141 57.1806 41.4198 179.1224 212 W 4.4179 7.5709 130.0558 59.7340 30.3251 178.3441 213 G 3.2779 7.8519 103.6565 47.6961 0.0000 174.7704 214 A 4.0118 8.0059 123.8786 54.5512 18.4416 178.5626 215 L 3.9887 7.9846 113.8462 54.7166 42.0698 177.8112 216 G 3.6162 8.1576 105.8841 45.7539 0.0000 173.1531 217 T 4.3499 6.9274 110.9535 60.9902 69.8542 173.6486 218 A 4.6677 8.7763 127.9283 52.8523 19.8811 177.9113 219 N 4.7322 8.2625 117.3906 51.4451 37.3376 173.3188 220 F 4.9947 7.0625 114.3180 55.6632 41.5332 173.4727 221 N 4.8925 8.2803 118.2495 52.3441 42.1879 173.4103 222 F 4.8028 8.8231 121.4454 57.0924 40.5739 174.5148 223 K 4.9594 8.8519 123.8229 54.7272 34.9369 175.4440 224 I 4.1913 8.6851 128.7674 59.8494 36.9245 175.2442 225 A 4.3948 8.5151 129.7984 51.2795 19.1108 177.2307 226 R 4.2044 8.3669 118.8947 56.7658 29.1456 174.8844 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.35 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 *2 K 8.35 4.30 0.00 1.77 1.84 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.63 7.81 3 I 8.77 5.01 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.95 0.00 0.00 4 A 8.77 5.02 1.25 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 0.00 0.00 5 V 8.84 4.52 2.12 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 0.90 0.00 0.00 0.96 0.00 0.00 6 L 9.32 4.72 0.00 1.48 1.46 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.90 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 8 T 8.06 4.27 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 9 G 7.42 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 10 T 8.36 3.79 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 1.19 0.00 0.00 11 V 7.62 3.60 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 0.79 0.00 0.00 0.85 0.00 0.00 12 G 7.75 4.12 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 0.00 0.00 0.00 13 R 7.67 3.27 0.00 1.57 0.91 0.00 2.69 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 14 T 7.78 4.09 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 1.29 0.00 0.00 *16 A 7.94 4.33 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.64 3.73 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 0.00 0.00 0.00 18 A 8.08 4.09 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 19 L 7.99 4.05 0.00 1.77 1.79 0.92 1.09 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 20 A 8.14 4.34 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.40 0.00 2.87 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 22 L 7.57 4.30 0.00 1.89 1.71 1.01 0.91 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 23 G 7.96 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 0.00 0.00 0.00 0.00 24 H 8.00 4.55 0.00 3.31 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.78 4.44 0.00 2.07 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 2.37 2.34 0.00 26 V 8.41 5.01 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 1.07 0.00 0.00 1.06 0.00 0.00 27 T 8.91 5.06 4.31 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 1.27 0.00 0.00 28 I 9.06 4.88 2.09 0.00 0.00 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 1.25 0.85 0.92 0.00 0.00 29 G 9.15 4.50 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 0.00 0.00 0.00 30 T 7.79 4.33 3.84 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 0.95 0.00 0.00 31 R 7.99 3.23 0.00 1.66 1.86 0.00 3.22 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 32 D 7.39 4.39 0.00 2.55 2.39 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 33 P 0.00 4.16 0.00 2.15 2.05 0.00 3.57 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 2.05 1.96 0.00 34 K 8.08 3.96 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.08 7.81 35 A 7.54 4.17 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 36 T 7.98 3.89 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 37 L 7.90 4.14 0.00 1.66 1.80 1.01 0.96 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 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.73 4.73 0.00 2.64 2.64 0.00 0.00 7.20 7.23 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 0.00 120 P 0.00 4.58 0.00 2.19 2.04 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 121 V 8.01 4.19 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 0.70 0.00 0.00 0.90 0.00 0.00 122 N 8.65 4.46 0.00 2.85 2.96 0.00 0.00 6.95 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 0.00 123 T 7.43 4.38 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 124 D 7.36 4.74 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.05 4.74 0.00 4.12 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.13 4.01 0.00 1.74 1.87 0.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 135 P 0.00 4.56 0.00 2.18 2.18 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 136 E 8.18 4.15 0.00 2.09 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 2.36 2.46 0.00 137 A 7.86 4.59 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 0.00 138 K 8.85 4.38 0.00 1.69 1.76 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.36 7.81 139 V 8.90 4.21 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 0.75 0.00 0.00 1.02 0.00 0.00 140 V 8.81 4.53 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 0.94 0.00 0.00 0.93 0.00 0.00 141 K 9.09 4.70 0.00 1.90 1.66 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 142 T 8.86 4.81 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 1.20 0.00 0.00 143 L 8.86 3.85 0.00 1.89 1.77 0.91 0.43 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 0.00 144 N 7.81 4.27 0.00 2.92 2.92 0.00 0.00 6.92 9.06 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 0.00 145 T 7.17 4.32 4.60 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 1.34 0.00 0.00 *147 N 8.00 4.29 0.00 3.11 2.81 0.00 0.00 6.93 8.12 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 0.00 148 A 8.81 3.98 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 0.00 149 S 7.99 4.26 0.00 4.14 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 0.00 150 L 7.31 4.39 0.00 1.73 1.66 0.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *152 V 7.43 4.12 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 0.76 0.00 0.00 0.96 0.00 0.00 153 D 7.89 4.79 0.00 2.72 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 0.00 154 P 0.00 4.28 0.00 2.13 2.19 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.70 0.00 155 G 8.11 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.91 3.88 0.00 1.86 2.11 0.00 3.15 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 157 A 7.94 4.48 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 0.00 158 A 9.44 3.53 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 0.00 159 G 9.14 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 0.00 160 G 8.24 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 7.85 4.51 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 H 7.97 4.86 0.00 3.45 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.92 4.94 0.00 3.51 3.34 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 0.00 164 V 8.24 4.22 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.80 0.00 0.00 165 F 8.44 5.50 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.80 4.84 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 0.73 0.00 0.00 1.01 0.00 0.00 167 S 9.31 5.05 0.00 3.74 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.29 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 0.00 0.00 0.00 0.00 169 N 8.87 4.41 0.00 2.73 2.89 0.00 0.00 6.81 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 0.00 170 D 7.89 4.67 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.54 4.00 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 0.00 172 A 8.08 3.92 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 0.00 173 A 8.59 3.93 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 0.00 174 K 8.18 3.90 0.00 1.98 1.88 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.65 7.81 175 A 8.21 4.00 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 0.00 176 E 8.21 3.90 0.00 2.20 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 2.33 2.51 0.00 177 V 8.03 3.58 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 1.07 0.00 0.00 0.98 0.00 0.00 178 A 8.41 4.01 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 0.00 179 T 7.91 3.80 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 180 L 7.84 3.97 0.00 1.79 1.86 0.91 0.59 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 0.00 181 L 8.31 4.07 0.00 1.88 1.74 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 182 K 8.59 4.35 0.00 1.92 1.97 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.32 7.81 183 S 7.97 4.20 0.00 4.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.49 4.35 0.00 1.91 1.76 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 185 G 8.00 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 0.00 0.00 0.00 186 H 8.20 4.62 0.00 3.35 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.50 4.26 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 188 D 7.59 4.67 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.54 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 0.84 0.00 0.00 0.91 0.00 0.00 190 I 8.57 4.42 2.01 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 1.13 0.43 1.04 0.00 0.00 191 D 8.74 5.06 0.00 2.71 2.63 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 0.00 0.00 0.00 0.00 192 L 8.81 4.04 0.00 1.58 1.68 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 193 G 8.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.56 5.42 0.00 3.20 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 0.00 195 I 8.73 3.74 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 1.58 1.47 0.96 0.00 0.00 196 T 8.05 4.11 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 197 T 8.17 4.09 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 1.28 0.00 0.00 198 A 8.12 3.99 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 0.00 199 R 7.55 3.90 0.00 1.71 1.96 0.00 3.22 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 200 G 7.92 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 0.00 0.00 0.00 201 A 7.32 3.92 1.19 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 0.00 0.00 202 E 8.35 4.08 0.00 2.01 1.93 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 2.28 2.41 0.00 *204 L 8.00 4.28 0.00 1.76 1.54 0.39 -0.02 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 0.00 205 L 8.08 4.21 0.00 1.82 1.75 0.71 0.88 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 0.00 206 P 0.00 4.34 0.00 2.20 2.15 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 207 V 7.94 3.80 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.04 0.00 0.00 208 W 8.67 4.40 0.00 4.00 3.66 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 0.00 0.00 0.00 0.00 209 I 8.58 4.04 2.22 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 1.78 1.42 1.07 0.00 0.00 210 R 8.05 4.07 0.00 1.83 1.99 0.00 3.34 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 211 L 8.41 3.70 0.00 1.21 0.44 0.84 0.54 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 0.00 212 W 7.57 4.42 0.00 2.62 3.22 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 0.00 0.00 0.00 0.00 213 G 7.85 3.28 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 0.00 214 A 8.01 4.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 L 7.98 3.99 0.00 1.31 1.51 0.30 0.77 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 0.00 216 G 8.16 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 0.00 217 T 6.93 4.35 4.22 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 0.00 0.00 0.00 1.31 0.00 0.00 218 A 8.78 4.67 1.67 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 0.00 219 N 8.26 4.73 0.00 2.73 2.83 0.00 0.00 6.90 7.86 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 0.00 220 F 7.06 4.99 0.00 3.02 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 0.00 221 N 8.28 4.89 0.00 2.71 2.75 0.00 0.00 7.03 7.02 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 0.00 222 F 8.82 4.80 0.00 3.29 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 0.00 223 K 8.85 4.96 0.00 1.79 1.74 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.55 7.81 224 I 8.69 4.19 1.96 0.00 0.00 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 1.46 1.27 1.00 0.00 0.00 225 A 8.52 4.39 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 0.00 226 R 8.37 4.20 0.00 1.90 1.87 0.00 3.34 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.