NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8828 8.1676 115.8913 57.2435 39.5426 177.1551 11 H 3.4434 6.3913 117.1529 56.4432 28.6289 173.9555 12 E 4.0371 8.3368 121.0486 58.3707 30.5153 178.0627 13 M 4.4521 7.3955 115.4118 55.2129 32.0572 176.5950 14 R 4.4647 7.5677 117.2085 55.7411 32.2087 175.7717 15 E 4.0013 7.7126 117.0410 55.0669 29.9672 174.8354 16 P 4.3578 0.0000 0.0000 63.0374 32.3556 175.1758 17 R 4.5930 8.1669 116.4975 55.1500 33.5405 173.7828 18 I 4.3108 8.3286 120.7575 61.0275 37.4192 175.3990 19 E 4.3803 9.3521 130.1814 57.8659 29.8328 176.3185 20 K 4.8424 7.7379 117.4577 55.4187 36.6125 174.3334 21 V 4.4796 8.4244 123.3254 61.4269 33.3033 174.6262 22 V 4.4525 8.5754 130.2385 61.7348 33.0195 175.2353 23 V 4.5957 8.3586 123.2369 60.1771 32.9925 174.5999 24 H 5.3221 8.7735 125.4992 54.4508 33.0926 172.7101 25 M 4.5111 8.4943 122.9434 53.5600 34.7994 174.8698 26 G 3.5175 8.2946 112.3351 45.9993 0.0000 171.7902 27 I 3.9263 8.5093 128.3959 59.8287 36.1890 176.4126 28 G 4.3611 6.3537 127.0700 47.1432 0.0000 173.4857 29 H 4.5433 7.4101 111.3076 56.6381 30.7611 174.2504 *35 A 4.2896 7.3048 122.6131 52.4396 20.5272 177.5347 36 N 4.4405 7.9382 114.6739 54.5133 36.9380 176.0728 37 A 4.3943 7.8714 120.8594 52.4564 18.7703 178.7176 38 E 4.2989 8.0148 118.3477 59.5554 29.9320 179.1098 39 D 4.3002 8.1335 119.0368 57.1475 41.0551 178.3965 40 I 3.8381 7.3584 112.6242 63.2823 37.5500 178.2460 41 L 4.2537 7.5645 121.1906 57.4784 41.3381 179.2441 42 G 3.6121 8.0230 104.7234 46.5122 0.0000 175.1271 43 E 4.0888 7.5074 120.1740 58.5184 29.8717 177.9033 44 I 4.1578 7.3331 116.5540 62.8629 38.3529 177.3541 45 T 4.1864 8.1143 110.4460 64.7828 69.3900 175.2250 46 G 3.7614 6.7301 108.8465 44.3620 0.0000 172.6607 47 Q 4.6480 7.7513 116.7866 54.2854 31.7336 173.8357 48 M 4.3226 8.4125 117.3943 54.6244 32.6135 174.5885 49 P 4.8914 0.0000 0.0000 61.9345 33.7944 175.0349 50 V 4.5805 8.3248 112.2452 59.3295 35.5005 176.1400 51 R 4.6217 8.6249 122.1651 56.6613 31.4322 176.0330 52 T 4.5573 8.5428 117.0098 62.0279 71.7161 174.6068 53 K 4.8749 8.8913 125.7966 54.6529 34.3766 175.4439 54 A 4.6661 8.0877 120.9809 51.0272 22.1347 175.5527 55 K 4.5500 8.1293 118.1701 55.1127 35.3860 172.4172 56 R 3.8953 8.5268 127.0819 55.7064 30.1949 176.5836 57 T 3.9961 8.5118 119.4410 63.4365 68.9447 173.9515 58 V 4.3963 8.2295 126.5633 60.8210 33.5111 176.4943 59 G 3.8724 8.6267 113.9493 46.9169 0.0000 173.2005 60 E 4.3507 7.9278 118.6011 56.6365 30.1833 175.8420 61 F 3.9808 8.2287 114.8387 60.8732 38.5576 175.0290 62 D 4.6927 7.6997 117.3593 52.5557 41.0732 175.3195 63 I 3.9539 7.2605 113.4679 61.8652 39.0625 176.9900 64 R 4.1663 7.5448 121.4993 55.4424 30.9459 175.1828 65 E 4.0785 8.6131 126.8401 58.8559 30.3612 176.8531 66 G 4.1626 7.5983 110.5263 43.8717 0.0000 171.5379 67 D 4.6762 7.5651 121.6259 50.9859 42.8492 174.0820 68 P 4.7030 0.0000 0.0000 63.2785 31.7039 175.8179 69 I 4.1720 8.9654 125.0691 62.7662 39.4263 175.4224 70 G 4.2174 7.8223 107.5261 46.8697 0.0000 171.9254 71 A 5.3884 8.4311 121.1831 50.9908 23.1065 175.8291 72 K 5.3460 8.8832 117.3072 55.7557 36.8474 175.2366 73 V 4.7260 8.1355 120.5039 61.4713 35.0164 173.6398 74 T 4.9128 8.5625 118.0974 60.1341 70.5650 173.5928 75 L 4.7120 8.5053 126.6200 52.9065 43.9665 175.8270 76 R 4.8477 8.4160 121.4855 54.7734 33.7071 177.8909 77 D 4.2613 9.0808 122.0719 55.4339 40.7259 175.7517 78 E 4.0265 9.2363 128.0433 60.7029 29.1980 177.7718 79 M 4.0813 8.1158 116.5222 57.7846 32.1977 178.0632 80 A 4.3163 7.8862 120.6714 54.8617 18.9431 179.1953 81 E 4.1329 8.0101 117.1078 59.2311 29.4607 178.5778 82 E 4.2617 8.5097 116.4634 57.4315 29.9202 177.6242 83 F 4.6221 7.9539 120.8684 60.0340 40.6258 177.1207 84 L 4.1884 7.9105 117.3289 57.0481 41.1630 179.2774 85 Q 4.0232 7.7119 117.8762 58.0309 28.7113 177.3887 86 T 4.2987 7.5969 107.7037 61.9316 69.9828 175.7753 87 A 4.1193 7.4027 123.8258 54.5287 18.8259 179.3835 88 L 3.9325 7.7351 117.1057 57.3981 41.5125 177.7231 89 P 4.3554 0.0000 0.0000 64.4131 31.4706 177.8347 90 L 4.2149 7.4171 115.3977 55.2816 42.0552 176.5817 91 A 4.6231 7.0111 120.7538 50.1637 22.1798 175.5694 92 E 4.2756 8.5933 120.9081 55.0408 29.5602 176.5005 93 L 4.0893 8.3277 124.6711 54.2052 42.3713 176.4979 94 A 5.0045 8.3325 125.2469 50.5770 22.3413 176.0908 95 T 4.2247 8.3489 114.6931 66.3570 68.8370 177.3652 96 S 4.5261 8.0491 112.9289 59.7106 62.9778 174.2491 97 Q 4.4887 8.2099 120.3044 56.0558 28.6657 174.8307 98 F 5.1347 7.6712 115.6296 55.7003 41.1891 174.9765 99 D 4.8213 9.0213 123.3369 53.3760 42.1675 177.0835 100 D 4.4940 8.5559 120.8783 56.6866 41.0340 177.6997 101 T 4.3849 8.0433 113.5463 63.0777 68.9188 174.4785 102 G 3.9233 7.8427 108.8772 46.9894 0.0000 172.9815 103 N 5.5657 8.1282 114.4679 51.1775 43.4773 174.1614 104 F 5.2086 8.4233 113.0437 55.4374 41.6591 173.2595 105 S 5.1458 8.2955 116.1234 56.4896 65.1649 173.1057 106 F 4.9648 9.2159 120.8071 54.8112 41.1456 174.8364 107 G 4.0796 8.7808 107.0950 45.7178 0.0000 172.4811 *128 L 3.9856 8.0262 125.4156 55.1212 43.6023 176.5410 129 D 4.8691 8.7754 127.3136 53.2983 43.0785 176.1369 130 V 4.2990 7.9506 121.8394 61.4168 34.4290 174.0746 131 T 4.7464 8.5824 125.2101 61.5585 71.1555 173.4183 132 V 4.4451 7.8083 126.3293 61.0608 33.9054 173.8278 133 N 4.7391 9.0519 128.1646 52.5697 39.8552 173.3871 134 L 5.3308 8.3144 126.5986 53.2464 44.1517 176.2094 135 V 4.2370 7.9904 120.8636 60.7547 35.1901 172.8303 136 R 4.3707 8.2684 119.9086 54.8268 31.2845 176.2698 137 P 4.2747 0.0000 0.0000 64.2490 32.2125 176.5253 138 G 4.2943 8.2331 107.1974 45.1842 0.0000 173.2858 139 Y 4.4922 8.0898 120.2326 58.9168 39.9171 176.7833 140 R 3.8868 8.0657 119.3064 59.6235 29.9785 178.1393 141 V 3.5865 7.9369 117.3133 64.9273 31.2580 176.5402 142 A 4.6219 7.4688 119.0939 50.9483 19.8629 176.9127 143 K 4.2147 7.4663 114.6445 55.9071 33.9428 176.5002 144 R 4.2674 7.6763 115.6119 55.6375 30.6404 176.2904 145 D 4.5011 8.4228 116.7813 56.5285 40.9393 177.5870 146 K 4.0122 7.9113 118.6004 57.2015 32.6309 177.1676 147 A 3.7911 8.6831 127.6238 52.8716 16.2627 176.9564 148 S 4.5345 7.2836 110.8475 59.6173 63.8281 174.0958 149 R 4.7103 8.9406 122.2110 54.5120 33.8704 173.9894 150 S 4.4224 8.5638 118.1843 57.6248 63.5711 173.7717 151 I 3.9403 8.2735 127.0702 60.4206 37.6218 174.5707 152 P 4.4775 0.0000 0.0000 62.3490 32.0354 177.2468 153 T 3.9314 8.7106 111.7555 65.4770 67.9536 176.5818 154 K 4.1399 8.0266 119.6568 58.7728 32.3279 177.6933 155 H 4.5451 8.0816 116.1829 55.7780 30.5011 175.4174 156 R 4.2074 6.8039 117.9354 56.0427 30.7107 176.0631 157 L 4.1241 8.1991 122.9422 55.0205 42.7746 176.8021 158 N 4.8847 8.3315 122.0926 51.5527 41.6281 174.7739 159 P 4.2742 0.0000 0.0000 65.6736 31.3397 179.0680 160 A 3.8724 7.8112 119.2512 55.1923 18.2125 179.2378 161 D 4.3276 7.9912 115.3751 56.6978 41.0707 178.3454 162 A 4.2758 7.6348 121.6332 54.8367 18.7500 179.5270 163 V 3.2247 7.2677 116.0664 66.2057 31.3597 178.1268 164 A 3.9822 7.6860 120.3692 54.9914 17.8942 179.4774 165 F 4.2184 7.8292 118.7466 61.6219 39.8224 177.3082 166 I 3.7139 7.7233 118.9816 64.0309 36.8034 177.8156 167 E 4.1047 8.0598 119.5113 58.6848 29.4637 177.7459 168 S 4.5670 7.1851 111.0866 57.9248 63.4085 174.6118 169 T 4.1472 6.9433 117.0285 63.0775 69.0853 172.5649 170 Y 3.6860 7.8642 118.3060 58.1566 35.8789 168.9867 171 D 4.6661 7.6905 117.8309 52.4961 42.4295 173.9982 172 V 4.4753 7.9450 118.4175 61.0410 34.5955 175.9409 173 E 4.5852 8.0879 128.1972 53.6136 28.1759 176.6383 174 V 3.5870 8.5480 117.4845 63.2078 32.5862 171.9660 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 10 F 8.17 4.88 0.00 3.35 3.35 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 11 H 6.39 3.44 0.00 3.05 2.55 0.00 5.45 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.34 4.04 0.00 1.70 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 2.23 2.21 0.00 13 M 7.40 4.45 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 14 R 7.57 4.46 0.00 1.77 1.89 0.00 3.31 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 15 E 7.71 4.00 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.24 0.00 16 P 0.00 4.36 0.00 0.60 1.56 0.00 3.40 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 1.80 1.88 0.00 17 R 8.17 4.59 0.00 1.87 1.93 0.00 2.78 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 1.44 1.56 0.00 18 I 8.33 4.31 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.99 0.00 0.00 19 E 9.35 4.38 0.00 1.99 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 2.34 2.37 0.00 20 K 7.74 4.84 0.00 1.79 1.84 0.00 1.51 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 21 V 8.42 4.48 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 0.96 0.00 0.00 0.99 0.00 0.00 22 V 8.58 4.45 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 0.90 0.00 0.00 0.87 0.00 0.00 23 V 8.36 4.60 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 0.56 0.00 0.00 0.63 0.00 0.00 24 H 8.77 5.32 0.00 3.14 3.02 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.49 4.51 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 26 G 8.29 3.52 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 0.00 27 I 8.51 3.93 1.98 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 1.26 0.72 0.94 0.00 0.00 28 G 6.35 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 0.00 0.00 0.00 29 H 7.41 4.54 0.00 3.19 3.37 0.00 5.76 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 *35 A 7.30 4.29 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 N 7.94 4.44 0.00 2.84 2.96 0.00 0.00 5.96 7.26 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 37 A 7.87 4.39 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 38 E 8.01 4.30 0.00 2.04 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 2.38 2.32 0.00 39 D 8.13 4.30 0.00 2.68 2.71 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 40 I 7.36 3.84 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 1.62 0.84 0.92 0.00 0.00 41 L 7.56 4.25 0.00 1.79 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.02 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.51 4.09 0.00 1.97 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 2.41 0.00 44 I 7.33 4.16 1.96 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 1.89 0.88 1.16 0.00 0.00 45 T 8.11 4.19 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 0.87 0.00 0.00 46 G 6.73 3.76 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 0.00 47 Q 7.75 4.65 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 48 M 8.41 4.32 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 49 P 0.00 4.89 0.00 2.04 2.01 0.00 3.68 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 1.91 2.12 0.00 50 V 8.32 4.58 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 0.69 0.00 0.00 0.98 0.00 0.00 51 R 8.62 4.62 0.00 1.68 1.85 0.00 3.30 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.54 4.56 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 53 K 8.89 4.87 0.00 1.62 1.75 0.00 1.76 0.00 0.00 0.96 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.26 7.81 54 A 8.09 4.67 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 55 K 8.13 4.55 0.00 1.70 1.69 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.40 7.81 56 R 8.53 3.90 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 57 T 8.51 4.00 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 1.20 0.00 0.00 58 V 8.23 4.40 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 0.98 0.00 0.00 0.95 0.00 0.00 59 G 8.63 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.93 4.35 0.00 2.13 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 2.26 2.31 0.00 61 F 8.23 3.98 0.00 3.09 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 62 D 7.70 4.69 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.26 3.95 1.82 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 1.03 0.56 0.90 0.00 0.00 64 R 7.54 4.17 0.00 1.68 1.94 0.00 3.16 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 65 E 8.61 4.08 0.00 2.01 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 2.34 2.38 0.00 66 G 7.60 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.57 4.68 0.00 2.73 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 68 P 0.00 4.70 0.00 2.06 2.05 0.00 3.64 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 2.01 2.09 0.00 69 I 8.97 4.17 1.97 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 1.13 1.08 0.90 0.00 0.00 70 G 7.82 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 0.00 0.00 0.00 0.00 71 A 8.43 5.39 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 72 K 8.88 5.35 0.00 1.76 1.87 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.20 7.81 73 V 8.14 4.73 1.91 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 1.02 0.00 0.00 0.84 0.00 0.00 74 T 8.56 4.91 4.20 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 1.17 0.00 0.00 75 L 8.51 4.71 0.00 1.52 1.54 0.38 0.42 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 76 R 8.42 4.85 0.00 1.63 1.81 0.00 3.41 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 77 D 9.08 4.26 0.00 2.84 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 0.00 0.00 0.00 78 E 9.24 4.03 0.00 2.03 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 2.43 2.42 0.00 79 M 8.12 4.08 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 80 A 7.89 4.32 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 81 E 8.01 4.13 0.00 2.06 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 82 E 8.51 4.26 0.00 2.06 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 2.37 2.43 0.00 83 F 7.95 4.62 0.00 3.26 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 84 L 7.91 4.19 0.00 1.83 1.80 1.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.71 4.02 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 86 T 7.60 4.30 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 1.13 0.00 0.00 87 A 7.40 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.74 3.93 0.00 1.77 1.70 1.04 1.36 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 89 P 0.00 4.36 0.00 1.98 2.07 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 90 L 7.42 4.21 0.00 1.89 1.76 0.90 0.66 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 91 A 7.01 4.62 1.13 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 0.00 0.00 92 E 8.59 4.28 0.00 1.97 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 0.00 2.26 2.31 0.00 93 L 8.33 4.09 0.00 1.59 1.59 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.33 5.00 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 95 T 8.35 4.22 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 1.16 0.00 0.00 96 S 8.05 4.53 0.00 4.03 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 97 Q 8.21 4.49 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 98 F 7.67 5.13 0.00 3.22 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.02 4.82 0.00 2.90 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 0.00 100 D 8.56 4.49 0.00 2.73 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 0.00 101 T 8.04 4.38 4.44 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 1.24 0.00 0.00 102 G 7.84 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 0.00 103 N 8.13 5.57 0.00 2.69 2.82 0.00 0.00 6.48 8.13 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 0.00 104 F 8.42 5.21 0.00 2.76 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 0.00 0.00 0.00 0.00 105 S 8.30 5.15 0.00 3.97 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 0.00 106 F 9.22 4.96 0.00 3.13 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 0.00 107 G 8.78 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 0.00 0.00 0.00 *128 L 8.03 3.99 0.00 1.76 1.63 0.93 1.21 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 0.00 129 D 8.78 4.87 0.00 2.74 2.48 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 0.00 130 V 7.95 4.30 0.67 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 0.86 0.00 0.00 0.79 0.00 0.00 131 T 8.58 4.75 4.11 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 0.00 0.00 1.13 0.00 0.00 132 V 7.81 4.45 1.51 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 1.01 0.00 0.00 0.65 0.00 0.00 133 N 9.05 4.74 0.00 2.77 2.74 0.00 0.00 6.62 7.47 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 0.00 134 L 8.31 5.33 0.00 1.79 1.56 1.36 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.99 4.24 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 0.19 0.00 0.00 0.53 0.00 0.00 136 R 8.27 4.37 0.00 1.66 1.74 0.00 3.21 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 137 P 0.00 4.27 0.00 2.18 2.13 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 138 G 8.23 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 0.00 0.00 0.00 0.00 139 Y 8.09 4.49 0.00 2.96 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 0.00 140 R 8.07 3.89 0.00 1.93 1.92 0.00 3.24 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 141 V 7.94 3.59 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 1.06 0.00 0.00 1.00 0.00 0.00 142 A 7.47 4.62 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.47 4.21 0.00 1.57 1.73 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.70 1.10 7.81 144 R 7.68 4.27 0.00 1.90 1.97 0.00 3.03 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 1.71 1.65 0.00 145 D 8.42 4.50 0.00 2.67 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 0.00 146 K 7.91 4.01 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.68 3.79 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 0.00 148 S 7.28 4.53 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.94 4.71 0.00 1.86 1.72 0.00 3.12 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 150 S 8.56 4.42 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.27 3.94 2.01 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 1.50 1.22 1.05 0.00 0.00 152 P 0.00 4.48 0.00 2.21 1.99 0.00 3.65 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 2.12 2.09 0.00 153 T 8.71 3.93 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 1.23 0.00 0.00 154 K 8.03 4.14 0.00 1.77 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 155 H 8.08 4.55 0.00 3.15 3.36 0.00 5.94 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 6.80 4.21 0.00 2.11 1.87 0.00 3.43 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 157 L 8.20 4.12 0.00 1.52 1.78 0.84 0.94 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 0.00 158 N 8.33 4.88 0.00 2.93 2.69 0.00 0.00 7.12 8.03 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 0.00 159 P 0.00 4.27 0.00 2.11 2.10 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 160 A 7.81 3.87 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 0.00 161 D 7.99 4.33 0.00 2.64 2.72 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 0.00 0.00 0.00 0.00 162 A 7.63 4.28 1.56 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 0.00 0.00 163 V 7.27 3.22 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 0.76 0.00 0.00 0.04 0.00 0.00 164 A 7.69 3.98 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 0.00 165 F 7.83 4.22 0.00 2.94 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 0.00 166 I 7.72 3.71 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.71 0.97 0.00 0.00 167 E 8.06 4.10 0.00 2.08 1.91 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 2.25 2.24 0.00 168 S 7.19 4.57 0.00 3.93 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 0.00 169 T 6.94 4.15 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 1.25 0.00 0.00 170 Y 7.86 3.69 0.00 3.09 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 0.00 171 D 7.69 4.67 0.00 2.68 2.62 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 0.00 172 V 7.94 4.48 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 0.84 0.00 0.00 0.91 0.00 0.00 173 E 8.09 4.59 0.00 2.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 174 V 8.55 3.59 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 0.72 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.