NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.7304 8.4244 118.1343 53.0275 39.9042 173.5881 14 L 4.3457 8.4824 125.3931 53.6382 43.1788 173.7442 15 Y 4.7631 8.3057 124.7906 55.7485 42.5743 173.8887 16 F 4.3589 7.1910 119.6578 55.4011 40.5293 173.5936 17 Q 3.7904 8.1354 124.0833 56.8876 29.6370 175.6763 18 G 3.9031 8.4968 109.2878 43.9359 0.0000 172.8719 19 I 3.8252 8.0429 111.6417 61.1379 37.8840 175.7339 20 V 4.8363 8.0062 115.8584 58.7009 34.3202 174.5483 21 P 4.3820 0.0000 0.0000 62.6882 33.0639 177.2399 22 R 3.9312 8.6625 119.6648 60.1289 29.9508 178.7919 23 S 4.3194 8.0893 113.2824 61.4064 63.2385 176.3221 24 F 4.3616 8.3557 121.0044 60.3528 38.8333 177.2036 25 R 4.0050 8.4225 118.4982 59.8171 29.8708 178.5729 26 L 4.3533 8.3172 118.4827 57.6347 41.6717 179.3976 27 L 4.1392 8.2760 119.2670 57.7520 41.5271 179.2060 28 D 4.3731 8.3873 118.8498 57.6559 40.7766 178.7956 29 E 4.2001 8.3174 118.8773 59.2342 29.2880 179.3025 30 L 4.4449 8.5608 120.7191 58.2966 42.3493 178.6210 31 E 3.9371 8.3191 119.3361 59.0690 29.3177 178.6899 32 R 3.9822 8.0275 118.0499 59.4292 30.3109 178.3622 33 G 3.0026 7.8880 105.4375 47.0927 0.0000 175.2914 34 Q 4.2790 8.0557 119.8332 57.2248 28.8153 176.5729 35 K 3.8642 7.5930 121.4625 56.0280 32.0059 176.5754 36 G 3.7099 8.5681 115.7357 46.4160 0.0000 170.7003 *38 V 4.1572 7.9264 116.0056 61.1020 32.8550 179.5603 39 S 4.5405 8.8219 128.5696 58.0826 63.9372 172.5321 40 E 4.3555 8.5560 118.6678 55.9428 30.4031 176.8250 41 G 4.1655 8.6607 109.1800 44.9696 0.0000 172.3725 42 V 5.4498 8.5013 118.8879 59.2345 35.7868 175.2277 43 S 5.0136 9.2027 117.0684 57.1388 67.1088 172.5974 44 F 5.4001 7.8630 113.5994 56.5076 41.1023 173.2876 45 G 4.2461 8.9467 106.5893 45.9520 0.0000 172.1559 46 L 4.0087 8.2377 119.8809 54.3004 41.6510 177.4485 47 E 4.2424 8.9710 125.1448 58.2045 30.3387 177.5726 48 S 4.5568 7.7107 112.5178 56.0690 65.9028 174.6202 49 A 3.9774 8.7216 126.9672 54.5954 18.2318 177.6633 50 D 4.4848 7.8090 113.1235 53.4613 40.2405 175.9929 51 D 4.3768 7.9840 121.5827 54.3551 40.5420 176.2605 52 I 4.1331 8.2149 120.3687 61.8350 38.2923 176.6370 53 T 4.1641 8.3563 110.9621 61.6593 69.4349 174.4362 54 L 3.4703 7.2506 121.7867 56.0071 39.9879 175.3290 55 S 4.5002 8.0005 114.9766 59.6443 65.2059 175.0471 56 N 5.7424 8.1034 117.4351 51.3262 40.7379 174.1032 57 W 5.1802 9.4694 124.0422 54.9152 32.4352 174.7648 58 S 5.0305 9.0246 121.2448 58.1778 63.7409 173.1990 59 C 5.2832 9.2849 121.8343 58.3102 32.5823 173.1628 60 T 5.1865 9.0132 117.2851 61.9485 72.2705 172.9309 61 I 4.8214 8.7726 126.5444 59.2705 39.9950 174.7337 62 F 5.0613 9.1575 130.9238 57.7984 39.7212 175.4218 63 G 4.3863 8.9759 113.8864 45.8695 0.0000 172.5935 64 Q 4.2032 8.4027 122.6060 54.0109 29.7515 174.0981 65 P 4.1571 0.0000 0.0000 64.5654 31.7618 176.3692 66 G 3.9543 9.5169 111.3419 45.6167 0.0000 172.5821 67 T 4.7359 7.4598 108.3353 59.3563 71.9842 174.7373 68 V 3.6430 7.9931 114.1854 63.0792 31.4782 177.2768 69 F 4.7102 7.6820 118.4273 57.4398 39.7108 175.1420 70 E 3.8151 7.7802 121.4823 57.4417 29.4825 176.9639 71 N 5.0099 8.7037 121.4593 54.0940 36.5125 173.7400 72 R 4.8619 7.3579 117.1775 54.6826 32.9896 175.0669 73 I 4.9764 8.0856 122.2744 59.9383 39.3288 174.4915 74 Y 4.8258 9.2248 124.9438 56.3860 40.6753 174.9283 75 S 5.3224 9.5384 121.0765 57.4465 65.1199 173.3003 76 L 5.1115 8.8882 122.9729 54.9097 44.6619 174.5360 77 T 5.1014 8.9900 115.8925 61.8949 72.0286 173.1500 78 I 4.9143 8.9839 127.5213 59.3976 40.1743 174.2694 79 F 5.2312 9.1208 129.4774 56.6792 41.7069 173.8096 80 C 4.2516 8.8122 126.5848 57.8533 28.8743 173.8084 81 D 4.4631 8.0644 124.7026 52.7820 40.0886 176.4493 82 D 4.5971 8.5222 117.3787 56.3176 41.1255 177.0828 83 N 4.6320 8.6304 116.5733 53.7273 39.1061 174.5089 84 Y 4.3021 7.7815 120.7285 57.0630 39.2765 173.7820 85 P 3.3168 0.0000 0.0000 62.8084 32.0131 177.4872 86 D 4.4531 8.0057 119.8264 56.5744 40.9960 176.6054 87 S 4.8051 7.6367 113.7950 55.4154 65.4061 172.1231 88 P 2.9700 0.0000 0.0000 61.4122 31.5732 174.3616 89 P 4.5909 0.0000 0.0000 62.4362 32.6240 175.4846 90 T 4.4386 8.4717 111.3599 60.8510 70.9194 173.9984 91 V 4.8738 8.2385 123.5123 60.9690 34.7334 174.1367 92 K 5.1780 8.7275 126.0724 55.2198 36.2574 175.3709 93 F 4.6414 9.6061 122.8979 57.8342 39.4750 175.4183 94 D 4.8426 9.4461 123.7557 57.2832 42.1814 177.1210 95 T 4.6709 8.1999 114.1464 62.9680 69.3771 175.1703 96 K 3.7388 8.6637 126.4056 56.4828 32.5231 176.4973 97 I 4.5738 8.3173 123.1882 59.5203 41.1479 173.9900 98 E 4.6407 8.8571 125.1949 54.9499 30.7443 175.7272 99 M 5.0552 8.1333 122.8127 53.2334 36.1298 176.6180 100 S 4.1051 9.5501 117.6949 60.8714 63.3421 174.9839 101 C 4.5759 8.0600 114.5066 57.4981 29.7812 172.4823 102 V 4.6756 7.6229 120.7307 61.2086 32.9552 175.4796 103 D 4.7456 8.9431 127.3630 52.3320 40.7897 176.6891 104 N 4.4474 8.6605 115.5264 56.0941 38.4475 175.8578 105 C 4.1632 8.2941 113.3831 59.2046 28.7511 174.3017 106 G 3.5380 8.0941 109.2596 44.7941 0.0000 173.0397 107 R 4.8859 8.0777 116.7951 54.4128 31.7282 176.0187 108 V 4.2029 8.5979 122.9480 63.1376 32.4697 175.7482 109 I 4.0034 9.0025 129.8303 60.3656 37.0474 176.3488 110 K 3.7795 8.9791 129.8308 59.7159 31.9583 178.1415 111 N 4.5751 8.0862 112.7606 54.8825 38.7565 175.1625 112 N 4.7784 8.0521 114.9075 52.8051 39.0472 174.9202 113 L 4.6631 7.7215 121.0367 52.5174 45.1540 175.6432 114 H 4.0568 9.0500 126.3294 59.7618 29.8564 177.0516 115 I 3.9381 7.7682 113.7134 63.4191 37.0404 177.8016 116 L 4.3693 7.8233 119.8036 57.1926 42.0286 178.1881 117 K 4.0296 8.0862 118.4644 58.9791 33.2549 177.6764 118 N 4.8929 8.1758 115.7753 51.5706 37.9842 175.0356 119 W 5.3281 7.8508 126.9741 57.3919 32.1515 174.1753 120 N 4.6126 6.6449 119.7392 51.4337 41.2266 175.3436 121 R 4.2789 8.0335 119.9365 57.4564 29.6702 176.8482 122 N 4.3752 7.6327 115.4986 54.1336 38.9599 175.0195 123 Y 4.4260 6.3672 116.5218 57.6408 38.7307 174.8213 124 T 4.8843 8.5291 112.0672 59.0549 73.3927 174.8945 125 I 3.4048 8.0826 121.4679 64.5996 36.8799 178.1336 126 E 3.5819 7.4443 119.0283 59.6032 29.3920 178.5177 127 T 3.8081 7.7162 115.6237 66.9016 68.3957 176.5107 128 I 3.6816 7.5373 120.8442 64.2793 37.2109 178.3507 129 L 3.9066 7.6988 119.6995 57.9537 41.5003 179.4280 130 I 3.6932 8.0274 119.9635 64.8557 37.0994 178.5979 131 S 4.0931 8.3198 115.9288 61.5862 62.3722 176.8739 132 L 3.9900 7.9505 121.1059 57.7311 41.3321 179.2325 133 R 3.9251 8.0910 118.6496 59.2938 29.9538 178.5970 134 Q 4.0690 8.0834 118.1503 58.6713 28.8427 178.0650 135 E 3.9717 8.1822 119.6675 59.7036 29.1794 179.3392 136 M 3.7871 7.2713 116.6019 57.8213 31.9770 177.5182 137 L 4.2103 7.5632 117.6251 56.0645 42.3123 177.3886 138 S 4.4885 7.6108 113.8521 57.7304 63.8275 175.3441 139 S 4.2142 8.4508 116.3515 60.8440 62.8763 175.7780 140 A 4.2264 8.0244 121.6038 53.7418 18.7725 177.4428 141 N 4.9776 7.6370 112.3953 54.3712 41.1035 177.0002 142 K 4.3002 8.6525 117.2352 58.9473 32.7465 178.2265 143 R 4.3310 7.7245 116.5288 55.4924 30.8246 175.2035 144 L 4.0596 7.6712 121.5171 53.8375 42.4718 175.0324 145 P 4.2254 0.0000 0.0000 62.9041 31.7559 175.7711 146 Q 4.5408 8.1589 121.7343 53.2709 30.7133 173.5634 147 P 4.4219 0.0000 0.0000 62.2787 32.1135 176.0779 148 N 4.4419 8.3698 116.4761 53.0002 39.0177 174.6905 149 E 3.8552 8.4774 122.6127 57.5932 30.1504 177.4703 150 G 3.9446 8.7458 113.7388 45.2913 0.0000 173.3869 151 E 3.8503 7.5520 121.3989 56.7557 29.9435 176.3255 152 V 4.7969 7.9541 117.7522 59.5141 34.9000 175.3252 153 Y 4.2833 8.2620 117.4487 58.5402 37.7403 175.9018 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 13 N 8.42 4.73 0.00 2.74 2.87 0.00 0.00 6.88 6.97 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 14 L 8.48 4.35 0.00 1.85 1.77 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.31 4.76 0.00 2.94 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 16 F 7.19 4.36 0.00 3.07 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 17 Q 8.14 3.79 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 18 G 8.50 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 19 I 8.04 3.83 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 1.44 0.67 0.89 0.00 0.00 20 V 8.01 4.84 2.38 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 0.67 0.00 0.00 1.06 0.00 0.00 21 P 0.00 4.38 0.00 2.06 2.01 0.00 3.77 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 1.10 1.49 0.00 22 R 8.66 3.93 0.00 2.01 2.06 0.00 3.49 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 23 S 8.09 4.32 0.00 4.24 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 24 F 8.36 4.36 0.00 3.29 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 25 R 8.42 4.01 0.00 2.00 2.23 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 26 L 8.32 4.35 0.00 2.05 2.07 1.17 0.71 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 27 L 8.28 4.14 0.00 1.93 1.75 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.39 4.37 0.00 2.97 2.76 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 29 E 8.32 4.20 0.00 2.09 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 2.37 2.61 0.00 30 L 8.56 4.44 0.00 2.20 2.04 0.78 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.32 3.94 0.00 2.26 2.14 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 2.32 2.32 0.00 32 R 8.03 3.98 0.00 2.01 2.24 0.00 3.43 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 33 G 7.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 4.28 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 35 K 7.59 3.86 0.00 1.73 1.99 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 36 G 8.57 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 V 7.93 4.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.14 0.00 0.00 39 S 8.82 4.54 0.00 4.05 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 40 E 8.56 4.36 0.00 2.17 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 2.32 2.38 0.00 41 G 8.66 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.50 5.45 2.21 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 0.81 0.00 0.00 1.17 0.00 0.00 43 S 9.20 5.01 0.00 3.82 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 44 F 7.86 5.40 0.00 3.29 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 45 G 8.95 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 0.00 0.00 0.00 0.00 46 L 8.24 4.01 0.00 1.28 1.44 0.67 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.97 4.24 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 48 S 7.71 4.56 0.00 3.93 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 49 A 8.72 3.98 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 50 D 7.81 4.48 0.00 2.75 2.76 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 51 D 7.98 4.38 0.00 2.74 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 52 I 8.21 4.13 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.94 0.00 0.00 53 T 8.36 4.16 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 1.24 0.00 0.00 54 L 7.25 3.47 0.00 1.79 1.74 1.00 0.83 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 55 S 8.00 4.50 0.00 3.71 3.37 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 56 N 8.10 5.74 0.00 2.77 2.95 0.00 0.00 6.93 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.47 5.18 0.00 3.15 3.27 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 58 S 9.02 5.03 0.00 3.84 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 59 C 9.28 5.28 0.00 2.84 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 60 T 9.01 5.19 4.33 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 1.32 0.00 0.00 61 I 8.77 4.82 2.08 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 1.16 0.89 1.01 0.00 0.00 62 F 9.16 5.06 0.00 3.03 3.18 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 63 G 8.98 4.39 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 0.00 64 Q 8.40 4.20 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 65 P 0.00 4.16 0.00 2.12 2.05 0.00 3.72 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 2.12 2.24 0.00 66 G 9.52 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 67 T 7.46 4.74 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 1.34 0.00 0.00 68 V 7.99 3.64 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.01 0.00 0.00 69 F 7.68 4.71 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.78 3.82 0.00 2.34 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 0.00 2.35 2.41 0.00 71 N 8.70 5.01 0.00 3.00 3.05 0.00 0.00 7.03 7.66 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 72 R 7.36 4.86 0.00 1.84 1.45 0.00 3.23 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.90 0.00 73 I 8.09 4.98 1.87 0.00 0.00 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 1.41 0.89 0.99 0.00 0.00 74 Y 9.22 4.83 0.00 3.22 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 75 S 9.54 5.32 0.00 3.83 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 76 L 8.89 5.11 0.00 1.67 1.42 -0.07 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.99 5.10 4.27 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 1.29 0.00 0.00 78 I 8.98 4.91 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.69 0.00 0.00 79 F 9.12 5.23 0.00 3.13 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 80 C 8.81 4.25 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.06 4.46 0.00 3.03 3.08 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 82 D 8.52 4.60 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.63 4.63 0.00 2.87 2.85 0.00 0.00 6.50 7.13 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 84 Y 7.78 4.30 0.00 2.91 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 85 P 0.00 3.32 0.00 2.11 1.56 0.00 3.65 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 1.89 1.81 0.00 86 D 8.01 4.45 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.81 0.00 3.80 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 88 P 0.00 2.97 0.00 1.69 1.30 0.00 3.56 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 89 P 0.00 4.59 0.00 1.75 1.79 0.00 2.96 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 90 T 8.47 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 91 V 8.24 4.87 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 0.94 0.00 0.00 0.86 0.00 0.00 92 K 8.73 5.18 0.00 1.89 1.80 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.41 7.81 93 F 9.61 4.64 0.00 3.18 3.60 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 94 D 9.45 4.84 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.20 4.67 4.69 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 1.31 0.00 0.00 96 K 8.66 3.74 0.00 1.55 1.51 0.00 1.45 0.00 0.00 1.25 0.00 0.00 2.59 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.01 7.81 97 I 8.32 4.57 1.39 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 -0.15 0.00 0.00 98 E 8.86 4.64 0.00 1.99 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 0.00 2.24 2.52 0.00 99 M 8.13 5.06 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 100 S 9.55 4.11 0.00 3.92 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 0.00 101 C 8.06 4.58 0.00 3.12 3.32 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 0.00 102 V 7.62 4.68 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 0.79 0.00 0.00 0.84 0.00 0.00 103 D 8.94 4.75 0.00 2.88 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 0.00 104 N 8.66 4.45 0.00 2.75 2.97 0.00 0.00 6.75 7.66 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 0.00 105 C 8.29 4.16 0.00 2.91 2.76 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 0.00 106 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 0.00 107 R 8.08 4.89 0.00 2.05 1.99 0.00 2.75 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 108 V 8.60 4.20 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 1.04 0.00 0.00 109 I 9.00 4.00 1.88 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 1.11 0.51 0.91 0.00 0.00 110 K 8.98 3.78 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 111 N 8.09 4.58 0.00 2.76 2.86 0.00 0.00 6.83 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.05 4.78 0.00 2.82 2.84 0.00 0.00 6.63 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.72 4.66 0.00 1.65 1.48 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 114 H 9.05 4.06 0.00 3.30 3.29 0.00 5.92 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 0.00 115 I 7.77 3.94 1.26 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 1.48 0.48 0.17 0.00 0.00 116 L 7.82 4.37 0.00 1.83 1.79 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.09 4.03 0.00 2.05 1.99 0.00 1.96 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.72 7.81 118 N 8.18 4.89 0.00 2.51 2.76 0.00 0.00 7.09 7.58 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 0.00 119 W 7.85 5.33 0.00 3.61 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.64 4.61 0.00 2.07 1.42 0.00 0.00 6.71 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.03 4.28 0.00 1.93 1.96 0.00 2.65 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 122 N 7.63 4.38 0.00 2.45 2.70 0.00 0.00 6.99 7.01 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 0.00 123 Y 6.37 4.43 0.00 1.43 2.30 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 0.00 124 T 8.53 4.88 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 1.20 0.00 0.00 125 I 8.08 3.40 1.06 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.06 0.18 0.00 0.00 126 E 7.44 3.58 0.00 1.71 1.78 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 2.36 2.45 0.00 127 T 7.72 3.81 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 0.86 0.00 0.00 128 I 7.54 3.68 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.00 0.86 0.00 0.00 129 L 7.70 3.91 0.00 1.78 1.73 0.94 0.86 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 0.00 130 I 8.03 3.69 1.96 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 1.53 0.73 0.88 0.00 0.00 131 S 8.32 4.09 0.00 3.99 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 0.00 132 L 7.95 3.99 0.00 1.75 1.77 0.83 1.26 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 0.00 133 R 8.09 3.93 0.00 2.03 1.91 0.00 3.44 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 134 Q 8.08 4.07 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 135 E 8.18 3.97 0.00 2.09 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 2.51 2.48 0.00 136 M 7.27 3.79 0.00 1.67 2.05 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.81 0.00 137 L 7.56 4.21 0.00 1.81 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.61 4.49 0.00 4.03 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 0.00 139 S 8.45 4.21 0.00 3.89 3.97 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 0.00 0.00 0.00 140 A 8.02 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 7.64 4.98 0.00 3.01 3.06 0.00 0.00 6.59 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 K 8.65 4.30 0.00 1.98 2.39 0.00 1.36 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 143 R 7.72 4.33 0.00 1.77 1.92 0.00 3.19 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 144 L 7.67 4.06 0.00 1.79 1.50 0.99 0.83 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 0.00 145 P 0.00 4.23 0.00 2.04 1.94 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 146 Q 8.16 4.54 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 147 P 0.00 4.42 0.00 2.00 1.95 0.00 3.70 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 1.99 2.08 0.00 148 N 8.37 4.44 0.00 2.72 2.71 0.00 0.00 6.43 7.66 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 0.00 149 E 8.48 3.86 0.00 1.89 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 0.00 2.25 2.23 0.00 150 G 8.75 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.55 3.85 0.00 1.99 1.85 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 2.18 2.23 0.00 152 V 7.95 4.80 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 0.87 0.00 0.00 0.96 0.00 0.00 153 Y 8.26 4.28 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.