NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 S 4.5864 8.3349 115.4216 58.6051 63.7022 173.4890 36 E 4.0440 8.0807 119.2822 57.5115 30.2863 177.6941 37 F 4.4950 9.1893 118.9907 58.5094 40.1849 177.1438 38 T 3.9038 7.8461 116.5602 66.7538 68.4756 176.0094 39 Q 4.0263 8.2050 119.4773 59.2430 28.7960 178.7542 40 L 3.7992 8.1035 120.4134 58.5886 41.9286 178.9802 41 S 4.1583 8.1023 112.6883 61.3931 62.3376 176.0650 42 Q 3.9952 8.2290 120.8408 59.0208 28.4385 178.7431 43 S 4.2637 8.6233 114.5572 61.5222 62.3449 176.2940 44 I 3.8833 7.9904 122.3360 64.4238 36.6320 178.3465 45 A 4.0751 7.8923 121.9311 54.1264 18.2085 178.8132 46 E 3.7797 7.7631 117.1353 58.0131 29.9090 177.1207 47 F 4.6710 8.2770 115.5516 57.9954 41.3056 175.7669 48 H 4.8136 7.7455 114.4872 54.7744 28.7752 174.3628 49 T 4.4333 7.1351 117.2357 61.9127 70.1054 173.2345 50 Y 4.7172 8.1327 121.9874 56.2342 41.8906 174.7206 51 Q 4.4972 8.4691 119.6272 54.7399 30.0127 174.5770 52 L 3.9579 7.8789 121.2090 52.0120 41.8956 176.9634 53 G 3.9278 7.7931 111.4353 44.8983 0.0000 176.1273 54 N 5.0256 7.7209 123.8161 52.3268 41.3997 176.7372 55 G 3.9196 8.4578 98.2537 44.5661 0.0000 171.2504 56 R 5.3900 7.4024 119.4702 55.0407 35.1476 174.9062 57 C 4.9079 8.9412 113.6868 57.4721 33.2679 173.0210 58 S 4.4113 8.0780 113.8535 57.3818 66.5450 172.0773 59 S 4.4417 7.2615 112.1373 57.5355 66.2411 173.2649 60 L 5.1953 8.3129 124.2994 53.4204 44.7636 175.2248 61 L 5.0659 9.4812 125.1840 52.9419 45.8456 175.2565 62 A 5.2670 8.3732 121.7229 50.6583 22.9032 175.4263 63 Q 4.4192 8.5120 118.9613 55.2896 32.8742 173.8018 64 R 4.6661 8.5800 125.8923 55.9743 31.5346 175.9921 65 I 4.4017 8.6425 122.8618 59.5720 41.1935 175.6732 66 H 3.7344 8.6467 126.3309 52.8705 26.9313 174.3167 67 A 4.8128 7.3771 121.5312 50.1435 22.5026 174.8755 68 P 4.6699 0.0000 0.0000 61.8685 32.2309 175.7962 69 P 4.4391 0.0000 0.0000 65.6427 30.9156 178.3841 70 E 4.0595 8.3297 117.6716 59.7917 29.4763 179.4310 71 T 3.9233 7.9724 115.5882 66.4652 68.4638 176.9887 72 V 3.6606 7.8110 119.7095 65.7640 31.5645 177.5887 73 W 4.3510 8.5696 128.5962 60.6528 30.3371 177.9548 74 S 3.8893 7.9419 112.7935 61.0152 62.3831 176.2451 75 V 3.7459 7.0601 120.3067 65.2175 31.3534 178.1622 76 V 2.8863 7.3424 117.5236 65.4618 31.4119 176.9059 77 R 3.6528 6.9535 113.7257 57.0575 29.7680 177.6459 78 R 4.2865 7.3918 120.5050 54.8930 28.3708 176.8607 79 F 4.1040 8.1303 121.5696 60.7630 40.1047 175.6619 80 D 4.2018 8.1460 118.7519 56.2817 41.9244 176.3247 81 R 4.5237 7.7796 117.8134 53.5181 30.8728 173.8128 82 P 3.9350 0.0000 0.0000 65.2107 31.9942 179.5957 83 Q 4.0006 7.8462 117.0486 58.5733 28.7723 177.9233 84 I 3.8406 7.4653 118.3870 63.7617 37.1357 176.3029 85 Y 4.8000 7.7818 114.2160 55.9136 38.8582 174.9931 86 K 4.5514 7.3753 118.4676 55.1303 35.3880 175.4993 87 H 4.3440 9.0631 119.6491 55.3464 30.4830 176.3661 88 F 4.0258 7.9130 115.9793 58.0493 36.6000 174.6894 89 I 4.5421 7.0102 120.8963 59.5676 37.7627 175.4718 90 K 4.2531 9.1638 128.7628 59.0952 32.5437 177.1165 91 S 4.6304 7.6421 112.2856 57.2202 66.3314 172.5681 92 C 5.1235 8.4960 121.4721 57.8168 33.7816 172.5527 93 N 5.0038 9.3091 124.0303 51.5187 41.2874 174.4032 94 V 4.7018 7.9861 115.3914 59.0465 34.8766 175.7065 95 S 4.4157 8.5841 116.2092 57.9527 63.8133 174.9177 96 E 3.9924 8.9569 121.5026 59.5701 29.1752 178.1434 97 D 4.9036 7.3042 116.7151 53.0720 40.1227 176.3652 98 F 4.2805 7.8730 122.2981 59.0953 39.9611 174.3755 99 E 4.1375 7.2066 124.8162 54.6860 31.6247 174.5330 100 M 3.7770 8.2801 124.3390 55.5648 31.7371 174.9277 101 R 4.4402 7.7233 121.0174 54.4964 32.0907 174.5033 102 V 3.6555 8.1979 118.5264 64.9422 31.6415 175.6328 103 G 4.0873 8.8749 115.5728 45.5185 0.0000 173.8673 104 C 4.5527 8.1098 114.9579 58.3896 30.9727 172.8404 105 T 5.7295 8.6408 109.6158 60.1897 72.0759 172.8631 106 R 4.7171 9.1577 117.1371 54.7536 33.5336 173.5874 107 D 5.2105 9.2045 121.6212 52.7581 43.2653 175.2458 108 V 4.6448 8.7155 124.3367 61.0744 34.3635 173.8936 109 N 5.2844 9.0351 125.5932 51.6023 40.3991 174.3826 110 V 4.4437 8.5934 125.3133 61.8186 32.1645 175.8252 111 I 4.0166 8.7661 121.1664 60.9557 38.4775 175.6924 112 S 4.3926 8.4785 117.4539 59.3802 63.4494 174.0798 113 G 4.0089 8.8519 109.9136 45.5379 0.0000 173.9814 114 L 4.4081 6.8159 119.1304 53.2133 42.5503 175.3606 115 P 4.2438 0.0000 0.0000 64.6765 31.4721 177.0082 116 A 4.8606 7.7195 119.6274 50.8263 21.0326 175.7430 117 N 4.8523 8.5987 117.0702 54.8034 40.4732 175.4070 118 T 5.1998 7.6453 112.8327 62.0003 73.6823 173.1270 119 S 4.7911 9.1938 118.3412 56.9572 66.3595 172.7037 120 R 5.0122 9.0020 126.4810 54.9492 31.6450 175.2410 121 E 5.4461 9.0482 123.3913 54.4921 33.8359 174.9396 122 R 5.1829 9.2605 122.7220 54.4239 33.5413 174.1505 123 L 4.2654 8.5718 128.8782 55.1664 42.3968 176.6489 124 D 4.8261 9.0664 126.5508 55.6053 42.7622 176.7227 125 L 4.5465 7.6175 116.0325 54.9632 43.8627 175.0870 126 L 4.4639 8.3486 121.9440 54.9129 43.7385 172.8696 127 D 4.8827 9.1668 127.0252 52.4186 42.3167 176.4791 128 D 4.6913 8.9268 127.0086 57.1954 41.4103 178.5764 129 D 4.0214 7.9430 118.2152 56.3703 40.9570 177.3479 130 R 4.0698 7.8360 115.2981 55.2507 31.5860 175.8490 131 R 2.0000 6.5876 116.6796 56.2784 27.5973 175.6920 132 V 4.8615 7.1961 117.1922 61.5220 35.7839 174.9482 133 T 5.6409 8.2193 120.5211 60.9606 71.7058 171.9574 134 G 4.6128 8.5653 109.6872 46.1487 0.0000 171.8478 135 F 5.8760 8.6121 114.9446 55.8139 42.0168 173.1523 136 S 5.2447 9.4337 112.7909 56.7507 66.7056 173.0584 137 I 4.8872 9.2203 123.6048 61.0278 37.0934 175.7296 138 T 4.4487 9.2330 117.9593 62.4565 70.6096 174.2242 139 G 3.9812 7.8794 107.4370 45.3497 0.0000 171.5674 140 G 4.1232 8.9681 105.6883 44.1808 0.0000 173.9633 141 E 4.1619 8.2525 119.6100 55.9529 28.1773 175.8634 142 H 4.8023 7.5608 117.9928 55.8311 30.5310 174.2965 143 R 4.4811 8.7009 116.0727 56.2244 31.0306 177.4355 144 L 4.5408 7.7648 120.4217 53.4576 40.3539 176.2520 145 R 4.2408 7.6256 119.7517 56.9819 31.3563 177.1815 146 N 4.5289 8.9883 118.4454 54.3687 35.8166 173.4898 147 Y 4.3572 8.0560 120.0592 57.5211 40.1049 174.0223 148 K 4.9151 8.6773 127.9594 54.6321 35.6041 174.6983 149 S 5.1172 8.8582 121.1003 56.5528 66.5858 172.5700 150 V 5.0592 8.6372 122.8177 61.5731 35.3624 174.0639 151 T 5.4697 9.4365 123.8051 62.0048 71.9666 173.0146 152 T 5.0938 9.2244 116.2077 59.7743 72.2214 172.9128 153 V 4.7922 8.1107 123.1832 61.5201 34.2401 174.4759 154 H 4.9844 8.8475 123.5192 53.7775 32.8675 172.7129 155 R 4.3526 8.7898 123.6603 56.3581 31.0992 175.4288 156 F 4.6193 9.5339 128.2774 56.7164 42.0972 173.4668 157 E 4.7344 8.4355 125.5796 54.9528 31.0631 176.2348 *164 R 3.5879 8.0961 119.3481 56.0806 30.9838 176.0620 165 I 3.9840 7.5333 122.0265 59.8583 36.6360 175.4311 166 W 5.4726 8.5030 126.8523 55.9761 31.7318 175.2430 167 T 5.2896 9.0633 115.8281 62.1638 72.5677 173.6536 168 V 4.4855 8.7148 123.9229 61.0849 34.7108 174.2045 169 V 4.8547 8.7637 127.9674 61.1780 33.8564 174.0750 170 L 5.2459 8.8655 127.5134 52.9310 44.7551 175.0604 171 E 5.3425 9.4686 124.3990 54.5874 33.0477 174.3943 172 S 5.4226 9.1186 120.5504 57.1307 67.3058 171.9086 173 Y 4.9301 7.7888 116.2053 55.8327 41.3406 174.0029 174 V 4.3835 8.0482 119.7759 60.0954 35.0138 174.7005 175 V 4.8871 8.2775 120.3372 60.8349 35.0419 172.4972 176 D 4.9017 8.3526 122.0775 54.1978 41.6697 176.5181 177 V 3.9977 8.4166 123.3780 61.4326 32.0249 174.4011 178 P 4.3795 0.0000 0.0000 62.0556 31.9484 175.4802 179 E 4.0660 8.5418 121.9825 58.1029 29.6904 177.2719 180 G 3.9476 9.2449 114.6388 45.1500 0.0000 171.7903 181 N 5.0123 7.7296 116.0331 51.1723 41.8646 173.4319 182 S 4.8457 8.4618 113.6807 56.0002 67.1022 174.8407 183 E 3.9856 8.6115 120.4574 59.9425 29.1485 179.6170 184 E 4.0512 8.1747 117.7799 59.3772 29.6312 178.8517 185 D 4.3680 8.0453 118.7627 57.8404 41.0025 179.1120 186 T 4.0709 8.1685 110.0772 64.7782 68.7174 176.5249 187 R 4.3586 8.1517 123.0696 58.6629 30.1369 178.4231 188 L 4.0315 8.0681 118.9990 57.6278 41.4941 179.1936 189 F 4.2268 8.1977 119.8151 61.3204 39.3953 177.0693 190 A 3.3303 7.9274 120.1713 55.1556 18.0751 179.0774 191 D 4.4206 8.2493 117.4882 58.0453 40.8826 179.5433 192 T 3.8474 7.6959 115.9137 66.5163 68.4297 176.8341 193 V 3.4986 7.1241 120.1076 66.1627 31.5525 178.1906 194 I 3.7691 7.7581 119.5345 64.2664 36.9210 178.4603 195 R 3.9359 8.3506 119.9000 59.3460 29.8563 178.4369 196 L 4.0315 7.9233 118.7054 58.1338 41.6311 179.3362 197 N 4.3750 8.4151 116.3169 56.4191 38.4212 177.5387 198 L 4.1495 8.5881 120.7424 57.5733 41.5621 179.6593 199 Q 3.9610 8.0715 118.3963 58.8581 28.6788 178.4672 200 K 3.9056 8.3629 120.9047 59.1851 32.1349 178.6527 201 L 3.9698 8.3635 121.0244 57.9922 42.0473 178.6543 202 A 3.9342 8.1269 120.8382 55.2110 18.3118 179.5160 203 S 3.9747 8.2384 111.5758 61.6988 62.4454 176.3947 204 I 3.7119 8.0647 122.8149 64.8074 36.9734 178.7063 205 T 3.9323 8.0871 116.5446 66.3445 68.0247 176.5477 206 E 3.9280 8.0898 119.6411 59.6991 29.6622 179.2604 207 A 4.1360 7.8230 118.7983 55.2582 18.4131 179.2976 208 M 4.1829 7.5736 116.7274 57.9564 32.7569 177.3767 209 N 4.7902 7.9037 116.8683 52.2941 38.7388 175.2317 210 R 4.7205 7.3390 117.6019 54.5501 34.7347 175.4630 211 N 4.6136 8.7495 118.4445 52.9998 37.4484 174.1503 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 35 S 8.33 4.59 0.00 4.06 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 36 E 8.08 4.04 0.00 1.32 1.64 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 1.91 2.28 0.00 37 F 9.19 4.49 0.00 3.16 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 38 T 7.85 3.90 4.29 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 1.24 0.00 0.00 39 Q 8.21 4.03 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 40 L 8.10 3.80 0.00 1.72 1.91 0.51 0.65 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 41 S 8.10 4.16 0.00 4.02 4.05 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 42 Q 8.23 4.00 0.00 2.37 2.14 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 2.38 2.54 0.00 43 S 8.62 4.26 0.00 4.03 4.14 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 44 I 7.99 3.88 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.93 0.00 0.00 45 A 7.89 4.08 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 46 E 7.76 3.78 0.00 1.77 1.60 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 1.47 1.72 0.00 47 F 8.28 4.67 0.00 2.70 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 48 H 7.75 4.81 0.00 3.21 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.14 4.43 4.07 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 1.15 0.00 0.00 50 Y 8.13 4.72 0.00 2.84 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 51 Q 8.47 4.50 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 52 L 7.88 3.96 0.00 1.61 1.50 0.99 1.05 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 53 G 7.79 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 54 N 7.72 5.03 0.00 2.63 2.59 0.00 0.00 6.90 7.98 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 55 G 8.46 3.92 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 0.00 0.00 0.00 56 R 7.40 5.39 0.00 1.64 1.92 0.00 3.23 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 57 C 8.94 4.91 0.00 2.95 2.99 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 0.00 0.00 0.00 58 S 8.08 4.41 0.00 3.39 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 59 S 7.26 4.44 0.00 3.75 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 60 L 8.31 5.20 0.00 1.63 1.46 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.48 5.07 0.00 1.65 1.54 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.37 5.27 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 63 Q 8.51 4.42 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 64 R 8.58 4.67 0.00 1.60 1.73 0.00 3.20 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 65 I 8.64 4.40 1.84 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 1.15 0.64 0.89 0.00 0.00 66 H 8.65 3.73 0.00 2.56 1.50 0.00 5.69 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 67 A 7.38 4.81 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 68 P 0.00 4.67 0.00 2.46 2.26 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 69 P 0.00 4.44 0.00 2.30 2.41 0.00 3.95 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 70 E 8.33 4.06 0.00 2.13 2.13 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 2.45 2.52 0.00 71 T 7.97 3.92 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 1.24 0.00 0.00 72 V 7.81 3.66 2.26 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 1.11 0.00 0.00 0.96 0.00 0.00 73 W 8.57 4.35 0.00 3.42 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 74 S 7.94 3.89 0.00 4.05 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 75 V 7.06 3.75 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 0.85 0.00 0.00 0.91 0.00 0.00 76 V 7.34 2.89 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 0.84 0.00 0.00 0.73 0.00 0.00 77 R 6.95 3.65 0.00 1.32 0.66 0.00 2.21 0.00 0.00 2.91 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.23 0.00 78 R 7.39 4.29 0.00 2.03 1.93 0.00 3.26 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 79 F 8.13 4.10 0.00 2.99 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 80 D 8.15 4.20 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 81 R 7.78 4.52 0.00 1.80 1.70 0.00 3.13 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 82 P 0.00 3.93 0.00 1.81 1.89 0.00 3.44 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 83 Q 7.85 4.00 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 84 I 7.47 3.84 1.99 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 1.52 0.74 0.95 0.00 0.00 85 Y 7.78 4.80 0.00 2.97 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 86 K 7.38 4.55 0.00 1.47 1.51 0.00 1.38 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.01 0.36 7.81 87 H 9.06 4.34 0.00 2.63 1.90 0.00 5.90 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 7.91 4.03 0.00 3.34 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 89 I 7.01 4.54 1.75 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 1.09 0.71 0.82 0.00 0.00 90 K 9.16 4.25 0.00 1.70 1.96 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.36 7.81 91 S 7.64 4.63 0.00 3.83 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 0.00 92 C 8.50 5.12 0.00 2.76 2.64 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 93 N 9.31 5.00 0.00 2.53 2.59 0.00 0.00 6.41 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.99 4.70 1.72 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 0.11 0.00 0.00 0.64 0.00 0.00 95 S 8.58 4.42 0.00 4.07 4.08 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 0.00 0.00 0.00 0.00 96 E 8.96 3.99 0.00 1.99 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 2.34 2.41 0.00 97 D 7.30 4.90 0.00 2.99 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 98 F 7.87 4.28 0.00 3.16 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 99 E 7.21 4.14 0.00 1.87 1.74 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 2.19 2.04 0.00 100 M 8.28 3.78 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 101 R 7.72 4.44 0.00 1.91 1.86 0.00 3.17 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 1.61 1.47 0.00 102 V 8.20 3.66 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 0.90 0.00 0.00 0.91 0.00 0.00 103 G 8.87 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 0.00 104 C 8.11 4.55 0.00 2.77 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 0.00 105 T 8.64 5.73 4.47 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 1.32 0.00 0.00 106 R 9.16 4.72 0.00 1.56 1.79 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.30 0.00 107 D 9.20 5.21 0.00 2.63 2.58 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 0.00 108 V 8.72 4.64 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 0.93 0.00 0.00 0.71 0.00 0.00 109 N 9.04 5.28 0.00 2.66 2.68 0.00 0.00 6.35 7.49 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 0.00 110 V 8.59 4.44 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 111 I 8.77 4.02 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 0.92 0.00 0.00 112 S 8.48 4.39 0.00 4.00 3.91 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 0.00 113 G 8.85 4.01 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 0.00 0.00 0.00 114 L 6.82 4.41 0.00 1.84 1.62 0.71 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.24 0.00 1.89 1.92 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 116 A 7.72 4.86 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 0.00 117 N 8.60 4.85 0.00 2.81 2.84 0.00 0.00 6.85 7.25 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 0.00 118 T 7.65 5.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 S 9.19 4.79 0.00 3.74 3.57 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 0.00 120 R 9.00 5.01 0.00 2.04 1.90 0.00 3.27 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 121 E 9.05 5.45 0.00 1.93 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 2.23 2.10 0.00 122 R 9.26 5.18 0.00 1.95 1.88 0.00 3.15 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 123 L 8.57 4.27 0.00 0.57 1.07 0.66 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.07 4.83 0.00 2.78 2.75 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 0.00 125 L 7.62 4.55 0.00 1.72 1.76 0.85 0.25 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 0.00 126 L 8.35 4.46 0.00 1.65 1.61 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 127 D 9.17 4.88 0.00 2.77 2.43 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 0.00 128 D 8.93 4.69 0.00 2.88 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 0.00 129 D 7.94 4.02 0.00 2.58 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 0.00 130 R 7.84 4.07 0.00 1.65 1.87 0.00 3.37 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 131 R 6.59 2.00 0.00 1.40 1.24 0.00 2.84 0.00 0.00 2.88 7.26 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 0.00 157 E 8.44 4.73 0.00 1.86 1.73 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 2.17 2.24 0.00 *164 R 8.10 3.59 0.00 0.88 0.66 0.00 2.88 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.20 0.00 165 I 7.53 3.98 1.81 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 1.33 0.40 0.93 0.00 0.00 166 W 8.50 5.47 0.00 3.51 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 9.06 5.29 4.30 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 1.28 0.00 0.00 168 V 8.71 4.49 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 0.73 0.00 0.00 0.32 0.00 0.00 169 V 8.76 4.85 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 0.96 0.00 0.00 0.94 0.00 0.00 170 L 8.87 5.25 0.00 1.64 1.34 0.85 0.50 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 0.00 171 E 9.47 5.34 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 2.37 2.55 0.00 172 S 9.12 5.42 0.00 4.25 4.05 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 0.00 173 Y 7.79 4.93 0.00 2.20 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 0.00 174 V 8.05 4.38 0.85 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 0.63 0.00 0.00 0.72 0.00 0.00 175 V 8.28 4.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.16 0.00 0.00 176 D 8.35 4.90 0.00 2.71 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 0.00 177 V 8.42 4.00 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 0.75 0.00 0.00 0.96 0.00 0.00 178 P 0.00 4.38 0.00 2.39 1.95 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 179 E 8.54 4.07 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 180 G 9.24 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 0.00 181 N 7.73 5.01 0.00 2.80 2.74 0.00 0.00 6.72 7.73 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 0.00 182 S 8.46 4.85 0.00 4.03 3.96 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 0.00 183 E 8.61 3.99 0.00 2.05 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 0.00 2.42 2.43 0.00 184 E 8.17 4.05 0.00 2.03 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 2.42 2.42 0.00 185 D 8.05 4.37 0.00 3.02 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 0.00 186 T 8.17 4.07 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 1.33 0.00 0.00 187 R 8.15 4.36 0.00 2.11 2.22 0.00 3.16 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 188 L 8.07 4.03 0.00 2.05 1.77 1.01 1.05 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 0.00 189 F 8.20 4.23 0.00 3.01 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 0.00 190 A 7.93 3.33 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 0.00 0.00 0.00 0.00 0.00 191 D 8.25 4.42 0.00 2.89 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 0.00 192 T 7.70 3.85 4.32 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 1.24 0.00 0.00 193 V 7.12 3.50 1.83 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 0.94 0.00 0.00 0.22 0.00 0.00 194 I 7.76 3.77 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.42 1.11 0.00 0.00 195 R 8.35 3.94 0.00 2.02 1.96 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 196 L 7.92 4.03 0.00 2.20 1.82 1.22 0.71 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 0.00 197 N 8.42 4.37 0.00 2.97 2.97 0.00 0.00 7.10 6.29 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 0.00 198 L 8.59 4.15 0.00 1.83 1.75 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 199 Q 8.07 3.96 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 200 K 8.36 3.91 0.00 1.72 1.90 0.00 1.11 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.34 7.81 201 L 8.36 3.97 0.00 1.98 1.92 0.69 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.13 3.93 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 0.00 203 S 8.24 3.97 0.00 3.87 3.99 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 0.00 0.00 0.00 204 I 8.06 3.71 1.88 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 1.68 0.92 0.00 0.00 205 T 8.09 3.93 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 1.22 0.00 0.00 206 E 8.09 3.93 0.00 2.24 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 2.27 2.37 0.00 207 A 7.82 4.14 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 0.00 208 M 7.57 4.18 0.00 1.98 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 209 N 7.90 4.79 0.00 2.80 2.98 0.00 0.00 7.01 7.07 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 0.00 210 R 7.34 4.72 0.00 1.96 1.77 0.00 3.22 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 211 N 8.75 4.61 0.00 2.79 2.75 0.00 0.00 6.00 7.56 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 * Residues marked with a * may have inaccurate shift predictions.