NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5872 8.2549 119.6568 55.6493 31.7737 174.8991 3 L 4.0306 8.4291 123.0743 53.1228 42.7441 175.6548 4 C 4.6186 8.5693 118.9844 57.5060 31.7487 173.8618 5 D 4.3960 8.8414 119.4911 57.0402 38.6096 179.0310 6 R 4.3222 7.8712 120.8208 58.4090 30.1660 177.9032 7 D 4.5870 8.0834 118.3584 56.9009 40.9928 178.5907 8 I 3.6297 7.8422 120.6608 64.3679 36.8022 178.2118 9 E 4.0026 8.3272 119.2318 59.3431 29.2093 179.3313 10 A 4.1187 8.1537 120.8207 55.1050 18.4896 179.8132 11 W 3.9775 8.6236 117.4933 59.6970 28.8085 178.8735 12 L 4.2070 8.0001 118.4764 57.8034 41.1165 178.9041 13 D 4.4865 8.2394 118.3070 57.3841 40.8675 178.0032 14 E 3.9801 8.0654 118.9154 57.6575 29.6592 177.9144 15 G 4.0326 8.1418 106.3876 45.1183 0.0000 174.5836 16 R 4.0881 7.7514 117.4862 58.4194 30.6954 176.7593 17 L 4.8040 7.9027 120.0539 54.1536 43.6429 175.8309 18 S 4.6779 8.9184 118.6395 57.3753 66.7270 173.3898 19 I 5.0364 8.3500 125.4257 60.0757 40.7448 173.4777 20 N 5.3346 9.3164 126.1680 50.4050 40.8749 173.1050 21 P 4.6864 0.0000 0.0000 62.3517 32.6682 176.1533 22 R 4.4747 8.3370 121.6653 54.8277 30.4466 174.7086 23 P 4.4116 0.0000 0.0000 61.6014 32.2691 174.4688 24 P 4.5757 0.0000 0.0000 62.0631 32.3863 177.2928 25 V 3.6633 8.2971 116.9132 65.9630 31.4527 177.7020 26 E 4.0482 8.2283 118.0688 58.5842 29.5563 177.5673 27 R 4.4471 8.0281 116.2734 55.6242 30.5323 175.4212 28 I 4.8852 7.4626 119.5555 59.7576 38.9894 174.4244 29 N 5.1099 8.4311 121.3754 52.6477 41.9692 178.0507 30 G 3.9490 9.6675 111.2478 46.5623 0.0000 174.7316 31 A 4.9173 9.3533 116.2848 50.3640 21.3257 177.9037 32 T 4.9556 8.6357 107.9827 61.6606 73.2150 172.6187 33 V 4.8607 8.5677 122.5154 61.0502 33.9325 174.6546 34 D 5.0071 8.9988 128.5983 54.6215 41.5321 176.1923 35 V 4.5898 8.7910 115.3702 59.7655 35.6986 174.7831 36 R 4.8594 9.1765 120.9712 54.3734 33.9771 174.6290 37 L 4.6545 8.3476 121.9814 54.5005 43.7876 176.6087 38 G 3.8805 8.3365 113.5062 45.1464 0.0000 173.4155 39 N 5.2832 8.5851 120.4625 53.1157 40.3685 174.6098 40 K 5.1411 7.5929 115.7545 54.5267 36.0023 175.0506 41 F 4.9872 8.9561 120.7015 56.4323 44.2423 173.6064 42 R 5.0695 8.9959 118.7772 54.9744 34.6286 174.5029 43 T 5.0446 8.4711 112.2467 60.0157 72.1362 172.8242 44 F 5.0754 8.9254 119.2427 55.9576 40.9275 176.5380 45 R 4.6382 8.8337 124.2851 54.1010 29.7431 176.8243 46 G 3.7692 8.3323 111.6173 47.9808 0.0000 172.5192 47 H 4.5286 8.2264 113.9383 57.0817 28.7908 175.8095 48 T 4.2859 7.3073 108.7045 61.9813 69.4440 174.2542 49 A 4.6761 7.5682 123.8224 50.7367 22.4343 175.9339 50 A 4.3058 8.6658 122.8153 54.6560 19.1082 177.4543 51 F 4.7011 7.2879 107.6200 56.7377 39.9879 172.7755 52 I 4.0198 8.3106 121.1459 59.3129 39.1747 175.4211 53 D 4.7445 8.1136 125.4045 52.9177 40.2432 176.3118 54 L 4.0504 8.6383 127.9123 57.1739 42.3889 178.2872 55 S 4.6814 7.9593 110.5104 57.0875 62.6733 171.8893 56 G 4.1505 7.6801 109.5643 43.5485 0.0000 170.8104 57 P 4.2654 0.0000 0.0000 62.5504 32.6647 177.1907 58 K 3.8920 8.7218 123.1005 59.9847 32.1769 178.7805 59 D 4.3742 8.0032 118.4776 57.4226 40.8192 178.4372 60 E 4.0364 8.1163 118.4518 58.8280 29.5211 179.0753 61 V 3.7003 7.4770 118.2450 65.3811 31.7024 177.9975 62 S 4.1133 8.2049 112.8771 61.0311 62.0513 176.0594 63 A 3.9553 8.0864 123.5081 55.0152 18.1493 179.4907 64 A 3.9100 7.7759 118.9333 55.2439 18.2191 179.8265 65 L 3.9728 7.7168 116.4307 58.1924 41.7943 179.3045 66 D 4.4949 7.7661 117.2011 57.2073 40.7350 178.7443 67 R 4.1336 7.4754 118.2114 58.4437 31.8239 178.6854 68 V 4.1478 7.6116 114.2761 59.2147 28.1649 175.0784 *70 S 4.3861 7.0065 113.5060 57.9317 64.5111 173.9675 71 D 4.6634 8.2352 121.1639 53.2335 41.7446 175.6412 72 E 4.3434 8.4936 121.4610 56.6330 30.4696 175.7262 73 I 4.4696 8.9147 128.0200 59.8786 39.3239 174.6687 74 V 4.9172 8.2859 126.8852 60.1073 33.1287 174.9532 75 L 4.4501 8.8602 129.1826 54.6888 42.5934 177.4658 76 D 4.6682 9.1232 123.6105 53.1313 41.9261 175.4739 77 E 4.1229 8.6766 119.8691 58.1992 29.4836 177.5287 78 G 3.9172 8.8071 111.0063 46.2858 0.0000 172.5307 79 E 4.5473 7.8800 118.5876 54.1176 31.3652 174.8172 80 A 4.8007 8.0662 124.1809 49.9540 22.4370 175.1051 81 F 4.1084 8.5764 122.6944 56.7963 41.1344 174.4060 82 Y 4.6818 7.7160 124.4141 56.5670 38.7176 175.4144 83 L 4.4568 8.6300 128.9655 54.2024 42.9100 175.5148 84 H 4.9518 8.5837 123.9433 54.1800 30.4684 173.4542 85 P 4.2492 0.0000 0.0000 64.5661 31.5717 176.7401 86 G 4.2650 8.4052 109.5597 45.2097 0.0000 172.6438 87 E 4.7950 7.6590 119.2840 54.1810 32.0078 174.9460 88 L 5.1700 8.8168 126.4641 54.4376 43.5245 175.3501 89 A 5.2209 9.1000 125.7415 50.7597 23.3758 174.8604 90 L 4.9833 8.7998 119.4162 53.8145 44.3622 176.2548 91 A 4.5825 8.7128 122.5374 50.6725 22.8099 175.0197 92 V 4.8368 7.5540 113.2284 60.3863 34.9822 174.7237 93 T 4.4234 8.5697 113.2530 61.5770 69.1000 174.4318 94 L 4.1204 8.4645 126.4273 58.4198 42.3279 177.5450 95 E 4.4637 8.1344 118.3161 56.1393 31.0700 175.9332 96 S 4.8173 9.0875 119.5139 57.6004 64.1047 172.8381 97 V 5.0112 8.7034 126.3566 61.4936 34.6111 174.3057 98 T 5.0863 9.3747 123.0620 61.9359 72.1802 172.7782 99 L 5.1473 8.8827 126.7336 52.2944 44.8499 174.9592 100 P 5.0882 0.0000 0.0000 61.9146 33.2762 176.7575 101 A 4.2399 8.8331 121.4752 54.3446 18.5845 178.3294 102 D 5.1286 8.1095 115.1030 52.6414 40.2388 175.1271 103 L 5.2196 7.8168 120.0779 54.3191 45.8511 174.8954 104 V 4.5265 8.8735 125.3493 59.8030 34.4447 174.8020 105 G 4.1921 8.5464 109.7066 44.2447 0.0000 172.0741 106 W 5.3934 8.2696 119.9041 54.5648 33.3834 174.0859 107 L 4.7703 8.8324 127.9513 54.3452 42.2843 175.6779 108 D 4.8617 9.2842 126.9493 52.7422 43.1846 176.7313 109 G 4.2367 8.4264 114.3630 45.8438 0.0000 173.9301 110 R 4.6915 8.2267 119.8457 53.5360 35.4792 175.8671 111 S 4.2317 8.6759 116.2191 61.7169 62.2192 176.8351 112 S 4.1759 8.0064 116.6939 61.2290 62.8883 175.9353 113 L 4.2124 7.7267 120.8949 57.1911 41.8014 178.6395 114 A 4.0474 8.4538 121.1659 55.2725 18.0924 179.3634 115 R 4.1309 7.7949 113.3456 57.7425 30.2874 177.1547 116 L 4.5402 7.7737 116.4269 54.1746 42.5709 177.1607 117 G 3.8680 8.4006 107.5048 45.0371 0.0000 173.8973 118 L 4.5108 7.4704 121.7212 54.0934 43.2459 176.7741 *120 V 4.3659 8.0466 111.6939 61.0754 33.1897 174.9247 121 H 4.9484 7.7510 113.4078 54.0453 31.4627 173.5789 122 V 4.0209 7.9628 119.3662 62.3595 31.6490 175.3358 123 T 3.6145 8.2004 119.3326 61.1574 67.6411 175.3055 124 A 4.3709 7.5489 126.4859 52.8556 20.8933 175.7323 125 H 4.7938 8.5768 115.7774 56.2043 31.0052 172.3463 126 R 3.7227 7.8775 119.5165 55.6300 31.0105 175.3706 127 I 3.7206 7.5714 127.9835 59.4345 38.8967 175.2232 128 D 4.7687 8.0180 127.3459 52.6653 42.5175 174.4371 129 P 4.8713 0.0000 0.0000 63.9430 31.1877 177.6295 130 G 4.0852 8.9248 108.9743 46.0651 0.0000 173.3700 131 W 4.4121 8.1080 130.3578 57.8959 31.1661 175.0887 132 S 4.4317 6.8060 118.8117 57.3734 64.0132 173.5800 133 G 4.1175 7.9089 116.8191 44.0158 0.0000 170.8090 134 C 4.9337 7.4826 116.5988 59.3785 29.0172 173.7903 135 I 4.2764 8.4759 123.1642 60.0249 38.4859 175.1492 136 V 4.1455 8.2151 127.6417 62.4300 32.3723 174.8499 137 L 4.4092 8.5656 128.0946 52.9161 43.9462 175.4530 138 A 4.9116 8.2986 125.4128 50.4401 20.1213 175.6576 139 F 5.0650 8.9926 121.0383 57.8015 41.3417 174.9036 140 Y 5.1531 8.5926 122.6737 56.0968 42.6226 173.2886 141 N 4.7163 7.7609 126.4316 52.4378 39.4557 174.8142 142 S 4.5815 9.1931 121.4897 58.6360 64.5382 174.9517 143 G 4.2103 8.0283 110.6390 45.0480 0.0000 173.1011 144 K 4.3957 8.5269 116.5310 56.2217 33.5389 176.3901 145 L 4.8130 7.4841 117.8074 51.6815 44.3850 174.3962 146 P 4.6369 0.0000 0.0000 63.0055 32.4122 175.6156 147 L 4.7864 8.6288 122.0479 52.7837 44.9849 175.5243 148 A 4.4182 8.7300 126.2736 51.4280 19.3458 176.2515 149 L 4.5695 8.8495 123.8933 53.3723 43.7452 176.0085 150 R 4.9276 8.4110 122.5140 53.3204 32.9352 173.9165 151 P 4.2049 0.0000 0.0000 64.1078 31.8461 176.8794 152 G 3.7832 8.6334 111.7313 46.0522 0.0000 173.2209 *154 L 4.2128 7.2463 116.0722 54.9426 43.1475 176.9555 155 I 4.4014 8.0396 123.1702 61.4582 40.5600 174.8105 156 G 4.2105 7.5535 105.8559 46.3499 0.0000 171.8369 157 A 5.3086 8.4099 119.8845 50.4322 23.1916 175.6429 158 L 5.1179 9.1331 120.5543 52.8004 44.9317 176.0755 159 S 5.0350 8.4902 117.3277 56.4897 66.6975 172.8627 160 F 5.2981 8.3781 117.7817 55.7521 43.4514 173.5541 161 E 4.8632 9.2482 123.1616 53.6337 32.3487 173.1030 162 P 4.8776 0.0000 0.0000 63.0131 32.1277 176.4132 163 L 4.6442 8.5749 124.0074 53.4201 42.7933 177.3403 164 S 4.2263 8.8180 114.7796 61.3958 63.0924 173.8601 165 G 4.1034 7.4104 107.3251 43.8677 0.0000 170.2474 166 P 4.4931 0.0000 0.0000 62.0133 31.8551 176.2151 167 A 4.1298 8.6031 126.4224 52.2152 18.8873 177.9131 168 V 3.7801 8.4957 122.3002 65.1173 32.2958 176.6597 169 R 4.6159 7.5363 117.4092 53.7216 29.8474 172.7092 170 P 4.6421 0.0000 0.0000 61.9916 32.6847 177.8490 171 Y 4.0501 9.1122 120.2853 60.6160 38.7933 177.9177 172 N 4.3803 8.0192 117.6266 55.0397 37.4493 176.2449 173 R 4.5072 7.5805 115.4287 55.5840 31.0195 175.4768 174 R 4.2909 7.3771 119.8804 54.9619 30.6845 177.1263 175 E 3.9552 8.8318 125.6483 58.8022 29.7279 177.3141 176 D 4.7044 7.8113 115.5493 52.6507 39.7625 176.0641 177 A 3.9724 7.3580 122.6844 52.6628 18.6595 178.6253 178 K 4.0649 8.5940 121.0801 57.7091 32.8087 177.1662 179 Y 5.0738 7.9213 115.1406 57.6783 38.4376 176.1666 180 R 3.9006 8.1242 118.2162 56.9045 30.8037 175.9722 181 N 4.1532 8.3553 115.6797 54.4823 37.5974 173.6129 182 Q 4.2498 7.3559 118.5172 55.2314 29.5217 175.7001 183 Q 4.4935 8.9072 125.9838 56.4169 31.6042 174.7912 184 G 4.2067 7.6549 106.8510 44.7170 0.0000 173.3884 185 A 4.2029 8.2717 118.8324 50.8791 16.9450 176.9782 186 V 3.6853 7.4559 120.3973 61.8135 32.7062 175.9470 187 A 4.3475 8.3279 129.7497 50.9762 19.3835 176.8107 188 S 4.4120 8.5791 114.1024 59.1647 62.9878 174.6079 189 R 4.9058 8.8071 126.0866 54.6906 30.7885 178.1334 190 I 3.7527 7.6735 121.0009 63.9858 38.3809 177.0916 191 D 4.5147 8.1358 118.8884 55.1911 39.2757 177.3761 192 K 4.3791 7.8522 118.2330 56.5593 32.6745 176.4197 193 D 4.5538 7.7609 124.0373 54.8065 40.7187 176.2806 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 R 8.25 4.59 0.00 1.70 1.93 0.00 3.34 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 3 L 8.43 4.03 0.00 1.53 1.46 -0.17 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.57 4.62 0.00 3.02 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 5 D 8.84 4.40 0.00 3.01 2.92 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 0.00 0.00 0.00 0.00 6 R 7.87 4.32 0.00 1.97 1.99 0.00 3.29 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 7 D 8.08 4.59 0.00 2.89 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 8 I 7.84 3.63 2.04 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 1.57 1.03 0.88 0.00 0.00 9 E 8.33 4.00 0.00 2.22 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 2.36 2.52 0.00 10 A 8.15 4.12 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.62 3.98 0.00 3.38 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.00 4.21 0.00 1.83 1.74 0.93 0.85 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 13 D 8.24 4.49 0.00 2.80 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 14 E 8.07 3.98 0.00 1.94 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 2.19 2.17 0.00 15 G 8.14 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 16 R 7.75 4.09 0.00 1.66 2.01 0.00 3.13 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 17 L 7.90 4.80 0.00 1.77 1.73 0.50 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.92 4.68 0.00 3.89 3.63 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 19 I 8.35 5.04 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 0.97 0.00 0.00 20 N 9.32 5.33 0.00 2.57 2.70 0.00 0.00 6.46 8.07 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 21 P 0.00 4.69 0.00 2.08 2.06 0.00 3.78 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 2.00 1.97 0.00 22 R 8.34 4.47 0.00 1.87 1.90 0.00 3.07 0.00 0.00 4.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 23 P 0.00 4.41 0.00 2.11 1.99 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 24 P 0.00 4.58 0.00 2.47 2.22 0.00 3.72 0.00 0.00 3.71 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 25 V 8.30 3.66 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 1.00 0.00 0.00 1.01 0.00 0.00 26 E 8.23 4.05 0.00 1.99 2.02 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 2.32 2.41 0.00 27 R 8.03 4.45 0.00 1.88 1.94 0.00 3.24 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 28 I 7.46 4.89 1.90 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 1.40 0.75 0.95 0.00 0.00 29 N 8.43 5.11 0.00 2.93 2.87 0.00 0.00 6.72 7.03 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 30 G 9.67 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 31 A 9.35 4.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.64 4.96 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 1.18 0.00 0.00 33 V 8.57 4.86 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 1.01 0.00 0.00 1.14 0.00 0.00 34 D 9.00 5.01 0.00 2.62 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 35 V 8.79 4.59 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 0.79 0.00 0.00 0.94 0.00 0.00 36 R 9.18 4.86 0.00 2.02 1.83 0.00 3.13 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 37 L 8.35 4.65 0.00 1.87 1.58 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.34 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 39 N 8.59 5.28 0.00 2.79 2.76 0.00 0.00 6.70 6.09 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 40 K 7.59 5.14 0.00 1.56 1.70 0.00 1.65 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.40 7.81 41 F 8.96 4.99 0.00 2.97 2.60 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 50 A 8.67 4.31 1.54 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 51 F 7.29 4.70 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.31 4.02 1.88 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 1.26 0.65 0.89 0.00 0.00 53 D 8.11 4.74 0.00 2.61 2.55 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 54 L 8.64 4.05 0.00 1.71 1.76 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.96 4.68 0.00 3.93 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 56 G 7.68 4.15 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 0.00 0.00 0.00 57 P 0.00 4.27 0.00 2.17 2.01 0.00 3.63 0.00 0.00 3.72 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 58 K 8.72 3.89 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0.00 3.13 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.25 0.00 2.00 2.15 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 86 G 8.41 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 87 E 7.66 4.80 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 2.53 2.44 0.00 88 L 8.82 5.17 0.00 1.80 1.54 1.15 0.72 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 89 A 9.10 5.22 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.80 4.98 0.00 1.54 1.48 0.93 0.73 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 91 A 8.71 4.58 0.76 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 0.00 0.00 92 V 7.55 4.84 1.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.47 4.51 0.00 1.55 1.70 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *120 V 8.05 4.37 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 1.05 0.00 0.00 1.02 0.00 0.00 121 H 7.75 4.95 0.00 3.27 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.96 4.02 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 1.00 0.00 0.00 0.98 0.00 0.00 123 T 8.20 3.61 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 1.20 0.00 0.00 124 A 7.55 4.37 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 0.00 125 H 8.58 4.79 0.00 3.16 2.79 0.00 5.47 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.88 3.72 0.00 1.53 1.51 0.00 2.94 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 127 I 7.57 3.72 1.52 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.47 0.42 0.00 0.00 128 D 8.02 4.77 0.00 2.42 2.61 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 0.00 129 P 0.00 4.87 0.00 2.34 2.34 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 130 G 8.92 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 0.00 0.00 0.00 131 W 8.11 4.41 0.00 3.31 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 0.00 132 S 6.81 4.43 0.00 3.65 3.42 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 0.00 133 G 7.91 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 0.00 134 C 7.48 4.93 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.48 4.28 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.80 0.67 0.00 0.00 136 V 8.22 4.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.89 0.00 0.00 137 L 8.57 4.41 0.00 0.78 0.71 0.68 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.30 4.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.99 5.07 0.00 3.25 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 0.00 140 Y 8.59 5.15 0.00 3.08 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 0.00 141 N 7.76 4.72 0.00 2.79 2.64 0.00 0.00 6.60 7.51 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 0.00 142 S 9.19 4.58 0.00 4.06 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 0.00 143 G 8.03 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 0.00 0.00 0.00 0.00 144 K 8.53 4.40 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 145 L 7.48 4.81 0.00 1.56 1.53 0.92 1.02 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 0.00 146 P 0.00 4.64 0.00 1.98 2.04 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 147 L 8.63 4.79 0.00 1.49 1.46 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.73 4.42 1.06 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 0.00 0.00 149 L 8.85 4.57 0.00 1.57 1.61 0.48 0.47 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 0.00 150 R 8.41 4.93 0.00 1.64 1.80 0.00 3.22 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 151 P 0.00 4.20 0.00 1.98 2.08 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.43 0.00 152 G 8.63 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 0.00 0.00 0.00 *154 L 7.25 4.21 0.00 1.69 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.04 4.40 1.97 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 1.52 1.03 1.05 0.00 0.00 156 G 7.55 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 0.00 0.00 0.00 0.00 157 A 8.41 5.31 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 9.13 5.12 0.00 1.38 0.84 1.00 0.59 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 0.00 159 S 8.49 5.03 0.00 3.81 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 0.00 160 F 8.38 5.30 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 9.25 4.86 0.00 2.19 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 2.28 2.32 0.00 162 P 0.00 4.88 0.00 2.05 2.12 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 163 L 8.57 4.64 0.00 1.74 1.66 1.00 0.84 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 0.00 164 S 8.82 4.23 0.00 4.01 4.04 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 0.00 165 G 7.41 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.49 0.00 2.22 2.11 0.00 3.80 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 2.01 1.98 0.00 167 A 8.60 4.13 1.36 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 0.00 0.00 168 V 8.50 3.78 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 0.84 0.00 0.00 0.95 0.00 0.00 169 R 7.54 4.62 0.00 1.82 1.84 0.00 3.27 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 170 P 0.00 4.64 0.00 2.43 2.26 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 171 Y 9.11 4.05 0.00 3.27 3.17 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 0.00 172 N 8.02 4.38 0.00 3.08 3.24 0.00 0.00 6.85 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 0.00 173 R 7.58 4.51 0.00 1.75 1.95 0.00 3.14 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 174 R 7.38 4.29 0.00 1.95 1.56 0.00 3.10 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 175 E 8.83 3.96 0.00 1.95 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 2.27 2.21 0.00 176 D 7.81 4.70 0.00 2.73 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 0.00 177 A 7.36 3.97 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 0.00 178 K 8.59 4.06 0.00 1.21 0.74 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 1.26 7.81 179 Y 7.92 5.07 0.00 3.50 3.42 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 0.00 180 R 8.12 3.90 0.00 1.82 1.75 0.00 3.18 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 181 N 8.36 4.15 0.00 2.75 2.81 0.00 0.00 6.98 7.08 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 0.00 182 Q 7.36 4.25 0.00 2.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.35 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 183 Q 8.91 4.49 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 184 G 7.65 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 0.00 0.00 0.00 0.00 185 A 8.27 4.20 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 0.00 186 V 7.46 3.69 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 1.02 0.00 0.00 1.00 0.00 0.00 187 A 8.33 4.35 1.26 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 0.00 188 S 8.58 4.41 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.81 4.91 0.00 1.64 1.78 0.00 3.14 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 190 I 7.67 3.75 1.93 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 1.39 1.34 0.95 0.00 0.00 191 D 8.14 4.51 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 7.85 4.38 0.00 1.71 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.53 7.81 193 D 7.76 4.55 0.00 2.76 2.61 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 * Residues marked with a * may have inaccurate shift predictions.