NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4998 8.0333 114.8532 61.3386 71.2788 171.9891 3 K 5.0668 8.6048 115.8136 55.9876 36.2396 173.5582 4 A 5.3551 8.7728 123.0361 50.2744 22.6291 174.4949 5 L 4.8590 9.1184 125.3371 53.8233 44.2670 175.1113 6 I 4.6688 8.8160 127.4341 59.6837 39.6796 174.5108 7 S 4.7423 8.9319 123.0140 56.0008 63.8321 172.8126 8 I 4.3505 8.3933 129.8150 59.9933 38.2755 175.8827 9 D 4.2787 8.1466 126.4120 55.3427 39.5032 174.8574 10 Y 4.3021 7.7157 119.9456 56.6510 37.5776 173.0902 11 T 5.1126 7.1116 113.5138 59.3557 72.5445 175.8791 12 E 4.0265 8.9594 122.6595 60.4231 29.5522 180.2908 13 D 4.3452 7.8464 116.5727 56.1842 40.1323 179.5513 14 F 4.1602 8.0119 118.8451 59.1875 39.3820 177.2217 15 V 3.6286 7.4506 117.6845 63.8929 33.0447 176.0207 16 A 4.1106 7.5935 122.0630 51.7132 18.9442 177.7404 17 D 4.3179 8.7857 119.5677 57.0529 41.2745 177.5480 18 S 4.5663 7.9067 109.9133 57.9180 63.8440 174.4053 19 G 3.7143 7.4153 112.2976 45.6921 0.0000 174.6405 20 K 4.0494 8.3038 121.9474 54.6408 32.6261 177.2605 21 L 3.5377 8.2270 118.7169 56.4624 40.4380 174.8670 22 T 4.1557 7.5373 110.9198 61.8485 68.1885 173.7069 23 A 4.1063 8.6023 130.7585 52.0369 20.5028 179.8821 24 G 3.6851 7.7484 104.3723 46.2487 0.0000 176.1103 25 A 3.9500 8.6843 121.9632 54.7717 18.1555 177.7541 26 P 4.2040 0.0000 0.0000 65.8465 31.0378 178.1695 27 A 4.1998 7.8320 120.1967 55.1473 18.4217 179.4395 28 Q 3.8912 7.9662 115.9792 58.9169 28.5040 178.8289 29 A 4.1858 7.9951 121.1651 54.1153 18.5904 178.5420 30 I 4.1708 7.3770 109.6488 61.0079 37.8988 177.3948 31 S 4.2532 7.9800 116.3741 62.1238 62.2822 175.8254 32 D 4.3716 8.1602 120.5494 57.4104 40.5988 178.5849 33 A 3.9649 7.8873 120.7522 55.1157 18.4696 179.3647 34 I 3.4887 8.0110 117.8590 64.0852 37.9987 178.3079 35 S 4.1282 7.8670 115.3788 60.9277 62.9934 176.3832 36 K 3.8824 7.9732 123.4439 59.4050 32.0219 179.2726 37 V 3.7395 7.9159 119.5116 65.0141 31.2475 178.5017 38 T 3.6913 7.6128 116.0352 66.3312 68.1508 176.9948 39 R 3.8083 7.7336 120.0087 58.9783 30.0758 178.8393 40 L 3.9109 7.9718 119.8778 58.0709 42.1081 178.7721 41 A 4.0446 8.0312 120.6829 55.2538 18.3558 179.3457 42 F 4.1345 8.3311 119.0672 61.6425 39.2856 177.2478 43 E 3.9112 8.3921 117.2135 59.1784 29.3127 179.0239 44 R 4.1016 7.7638 116.7090 57.0714 30.2873 177.4568 45 G 3.7962 7.4010 106.6120 44.6709 0.0000 173.6037 46 D 4.5548 7.4812 119.0976 54.2219 41.7693 175.7348 47 Y 4.7057 8.5091 119.0787 57.8709 39.7603 174.6421 48 I 4.8766 9.1278 124.5941 59.6749 40.2505 174.5510 49 F 5.0737 9.1873 127.0530 55.6951 41.3161 175.2127 50 F 4.8635 9.4162 125.3355 56.8672 39.9249 175.4907 51 T 4.7461 8.5176 116.3404 60.0392 70.4656 173.3846 52 I 4.7565 8.4123 128.2181 58.7880 40.2449 174.9852 53 D 4.9940 9.8207 127.8301 54.5746 41.8385 175.2629 54 A 4.8456 8.9268 127.2763 50.5269 21.5171 175.0136 55 H 4.9250 9.2172 121.7864 54.6142 32.6106 175.5404 56 E 4.4727 8.4012 113.6741 56.3410 32.0012 175.9195 *68 F 4.6167 7.9119 117.2156 57.4990 40.0694 173.4172 69 P 4.5576 0.0000 0.0000 61.4652 32.0575 174.3682 70 P 4.2674 0.0000 0.0000 63.3447 31.6308 175.6466 71 H 4.7031 8.2888 116.4859 55.1318 31.5261 172.3608 72 N 4.2320 8.7056 115.1187 54.3635 36.0981 174.5732 73 L 4.6780 7.7746 118.3285 55.2032 43.1013 179.7308 74 I 3.9783 7.9256 123.5604 60.2837 33.0776 175.1505 *76 T 4.2436 7.4069 117.1737 60.2317 69.8766 175.2673 77 S 4.3325 8.3808 113.2241 61.3755 62.7061 175.4747 78 G 3.9752 8.1108 107.6000 46.7405 0.0000 174.5270 79 R 4.7645 7.6943 116.7104 55.6362 31.7855 175.7896 80 N 4.6456 7.8268 116.4140 52.9936 39.7799 174.5098 81 L 4.7315 8.4598 122.9556 54.8566 42.5564 176.1180 82 Y 3.9732 8.6855 125.9831 58.2536 39.4505 177.0426 83 G 3.6475 8.1289 113.7609 46.1927 0.0000 174.4603 84 D 4.4371 8.6446 117.4289 56.9652 41.2233 178.5809 85 L 4.2723 8.1890 120.9889 58.1697 42.1430 178.9107 86 G 3.7225 8.2460 105.4434 47.6718 0.0000 175.8996 87 I 3.7849 7.6688 121.6903 64.0480 37.2447 177.7565 88 F 4.3859 8.4141 123.0034 61.0528 39.1872 176.6998 89 Y 3.7227 8.2362 118.7881 60.4389 38.2480 177.7209 90 Q 3.7924 7.5820 119.7036 58.9853 29.5297 177.6203 91 E 3.9649 7.8890 119.6721 58.5337 29.5885 177.7838 92 H 4.6208 7.4912 112.4748 54.6921 30.4916 175.3680 93 G 2.7015 7.4283 110.4604 48.0411 0.0000 175.0762 94 S 4.2902 7.4037 113.0139 58.5487 63.7330 174.0005 95 D 4.4651 7.6340 121.6918 53.8381 41.4689 177.2942 96 S 4.0535 8.5748 119.6198 61.0798 63.2868 175.0634 97 R 4.6240 8.9105 119.3197 56.6360 30.9646 176.0093 98 V 4.9580 7.3844 119.7901 61.0046 33.6611 174.7892 99 F 5.0941 9.5394 125.7942 55.4170 43.0731 173.5292 100 W 5.2170 9.2352 131.8610 55.9550 32.7042 174.3961 101 M 4.8455 9.0210 127.1199 53.8106 34.6198 173.8589 102 D 5.2550 8.9467 126.6329 53.7764 42.0649 175.9404 103 K 4.7185 8.9232 121.5839 55.3396 35.7492 176.9552 104 R 4.2530 8.6910 118.3932 56.2710 32.2089 175.5896 105 H 4.7580 7.6350 113.8115 53.7360 31.2255 174.3842 106 Y 4.2936 8.1314 117.7712 61.2817 38.1117 177.6414 107 S 4.3543 8.1701 114.0589 57.9909 63.0615 174.5030 108 A 4.1412 8.4701 129.7935 54.0812 18.3507 178.4611 109 F 4.2689 8.2030 114.5771 58.7543 39.7320 175.7383 110 S 4.2979 7.7482 114.4952 58.9739 61.8675 173.8133 111 G 3.8618 8.9879 115.7546 46.0545 0.0000 172.0294 112 T 4.5811 7.3889 109.7523 59.9479 71.3345 174.2239 113 D 4.8790 8.1816 118.2701 53.2334 40.0599 177.7661 114 L 3.4672 7.4121 123.4017 59.0047 41.9140 178.2616 115 D 4.5435 8.1502 117.1856 57.4716 41.2239 178.0041 116 I 3.7037 7.7391 119.6908 64.6468 36.7999 178.4839 117 R 4.0587 8.0076 118.7584 59.2101 29.7586 179.2136 118 L 3.9941 7.8323 118.8414 57.7924 41.6149 179.7707 119 R 4.0225 8.2723 118.1470 59.1298 29.7493 178.7814 120 E 4.0237 8.1218 117.7801 59.0177 29.5336 178.6487 121 R 4.3393 7.4081 113.5839 54.7174 31.0988 176.3577 122 R 3.7582 7.7563 117.1648 57.0473 28.2975 176.9042 123 V 4.1526 8.2340 116.9210 62.8877 32.5577 175.2986 124 S 4.8225 8.4291 120.7991 58.6632 65.8370 173.7897 125 T 5.1932 7.9708 117.0523 61.8133 72.1451 173.1367 126 V 4.7954 8.7625 119.2132 59.6348 34.9589 174.8320 127 I 4.7445 8.9057 125.2375 59.6841 39.6999 174.4291 128 L 4.9256 9.0736 128.4636 53.3810 43.4996 176.0690 129 T 4.6962 8.8537 112.8892 60.4202 72.9690 172.1791 130 G 4.0293 8.8953 106.2812 44.2319 0.0000 173.2809 131 V 4.8915 7.9522 112.5399 59.6415 35.8972 174.8714 132 L 4.9021 8.0857 121.4072 53.4605 43.2932 177.8420 133 T 4.0425 8.4711 119.6260 66.8115 68.5104 175.5602 134 D 4.9007 8.1133 116.7447 53.3097 40.6087 175.9875 135 I 4.0806 7.5453 118.9347 62.3021 39.9305 177.4662 136 C 4.3395 8.6428 121.4065 63.2994 28.7771 175.6723 137 V 3.5929 7.7630 119.3835 65.8218 31.1773 177.6592 138 L 4.4061 7.7974 118.7500 58.7983 42.0144 178.6405 139 H 4.2440 8.7095 116.3894 59.1912 28.5307 178.0071 140 T 4.0758 8.2240 117.3335 66.6408 68.2736 176.5753 141 A 3.9945 8.2843 122.7922 55.2666 18.3992 179.7679 142 I 3.7448 8.1685 118.4525 64.6454 37.2108 178.4087 143 D 4.2615 8.2090 119.5212 57.2716 40.5815 178.6385 144 A 3.6875 8.1209 121.5178 55.1282 18.3347 178.9626 145 Y 3.9708 8.2414 118.0323 61.1637 38.7096 178.3376 146 N 4.3843 8.1294 115.7260 55.6891 38.6349 176.4035 147 L 4.3569 7.6527 118.3354 53.9592 41.7849 177.0486 148 G 3.6279 7.4641 106.5634 46.4035 0.0000 173.5290 149 Y 4.5543 7.7996 116.6525 56.8055 39.0716 175.5959 150 D 4.6483 9.1566 123.2293 54.5881 42.4673 175.3511 151 I 4.9731 8.3843 121.8360 59.5553 40.8561 174.1265 152 E 5.0775 9.1949 125.9119 54.5132 32.9740 174.9111 153 I 4.5494 8.4598 124.7187 59.3839 40.2351 175.4897 154 V 4.1748 8.3435 128.0177 61.6494 30.4311 176.1632 155 K 3.8850 8.9384 129.7896 58.9067 32.0632 176.6540 156 P 4.6369 0.0000 0.0000 63.5441 31.7328 175.8053 157 A 4.7309 8.1651 120.6671 51.7396 20.3135 176.0153 158 V 5.4984 7.8391 108.4778 60.1258 35.1825 175.1672 159 A 4.8166 8.3433 123.2345 50.8953 22.6921 175.0653 160 S 4.9018 8.3681 113.6476 56.4158 66.3736 174.3695 161 I 3.4501 8.4721 120.2753 63.3217 37.0625 177.4015 162 W 4.8427 7.8005 120.0033 53.9382 32.0339 175.0951 163 P 4.4090 0.0000 0.0000 65.9452 30.7524 178.6113 164 E 4.0904 8.3032 117.0507 59.2965 29.6094 178.7983 165 N 4.4314 8.2858 117.1061 56.3367 38.7528 176.5664 166 H 4.2079 8.3423 119.5761 59.5695 29.9275 177.3400 167 Q 4.0206 8.2865 119.7895 58.4421 28.4767 178.2231 168 F 3.9032 8.3256 121.6613 61.1788 39.3838 177.0218 169 A 3.5060 8.0302 120.2860 55.0031 18.2742 179.5237 170 L 3.9932 7.6079 117.5602 57.8876 41.5960 180.0824 171 G 3.4120 7.7566 105.6122 47.8123 0.0000 175.2257 172 H 3.7168 7.7126 120.8308 58.8018 29.7950 177.2789 173 F 4.4006 7.6634 119.7120 60.5618 38.3710 177.6842 174 K 4.0717 7.9558 118.6767 59.6982 31.9095 178.4401 175 N 4.5142 8.0997 114.8249 54.7473 38.7867 176.1776 176 T 4.2029 7.4216 115.3519 65.0596 69.7224 175.9401 177 L 3.6969 7.6613 118.1003 54.6856 42.1220 177.2979 178 G 3.8827 8.1503 105.6215 45.5949 0.0000 173.6470 179 A 4.3610 8.2658 121.0205 51.4007 19.4750 177.9250 180 K 4.2641 8.7648 122.1070 55.2401 33.8782 175.6182 181 L 4.7358 8.3713 127.8546 54.3644 43.0891 176.3251 182 V 4.9339 8.8443 117.0912 59.6176 36.1770 175.1079 183 D 5.1527 8.5520 122.6424 52.0058 41.9189 176.7887 184 E 4.0202 8.9063 115.2956 58.8618 29.6590 177.0229 185 N 4.6876 8.2812 115.7026 52.4605 38.7255 174.5654 186 L 3.6683 7.7399 116.5092 55.7548 39.9250 173.8057 187 N 4.8711 8.0907 115.8638 51.2349 40.0522 174.3555 188 E 4.2632 8.7255 123.5935 56.8621 30.2233 175.8299 189 L 4.6976 8.4064 126.5797 53.3332 43.6982 176.6809 190 F 4.4722 8.5490 119.7673 57.7141 39.4666 174.9139 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 T 8.03 4.50 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 1.21 0.00 0.00 3 K 8.60 5.07 0.00 1.96 1.74 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.55 7.81 4 A 8.77 5.36 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.12 4.86 0.00 1.70 1.51 0.83 0.59 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 6 I 8.82 4.67 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.80 0.71 0.00 0.00 7 S 8.93 4.74 0.00 3.40 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.39 4.35 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.41 0.84 0.00 0.00 9 D 8.15 4.28 0.00 2.46 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 10 Y 7.72 4.30 0.00 3.02 2.98 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 11 T 7.11 5.11 4.54 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 1.35 0.00 0.00 12 E 8.96 4.03 0.00 2.10 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 0.00 2.69 2.62 0.00 13 D 7.85 4.35 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.01 4.16 0.00 3.09 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 15 V 7.45 3.63 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 -0.30 0.00 0.00 0.15 0.00 0.00 16 A 7.59 4.11 1.43 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 0.00 0.00 17 D 8.79 4.32 0.00 2.66 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 18 S 7.91 4.57 0.00 4.01 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 19 G 7.42 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 20 K 8.30 4.05 0.00 1.79 1.61 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 0.99 7.81 21 L 8.23 3.54 0.00 1.37 1.16 1.06 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.54 4.16 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 23 A 8.60 4.11 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 24 G 7.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.68 3.95 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 26 P 0.00 4.20 0.00 2.27 2.15 0.00 3.70 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 1.99 1.91 0.00 27 A 7.83 4.20 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 28 Q 7.97 3.89 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 29 A 8.00 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.38 4.17 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.14 0.97 0.00 0.00 31 S 7.98 4.25 0.00 4.42 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 32 D 8.16 4.37 0.00 2.79 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 33 A 7.89 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.01 3.49 1.57 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.52 0.00 0.00 35 S 7.87 4.13 0.00 4.17 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 36 K 7.97 3.88 0.00 2.01 1.96 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.45 7.81 37 V 7.92 3.74 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 0.79 0.00 0.00 0.90 0.00 0.00 38 T 7.61 3.69 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 0.66 0.00 0.00 39 R 7.73 3.81 0.00 2.00 2.04 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 40 L 7.97 3.91 0.00 1.85 1.80 0.92 0.94 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 41 A 8.03 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.33 4.13 0.00 3.33 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 43 E 8.39 3.91 0.00 2.12 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 2.73 2.57 0.00 44 R 7.76 4.10 0.00 1.92 1.93 0.00 3.10 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 45 G 7.40 3.80 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 0.00 0.00 0.00 46 D 7.48 4.55 0.00 2.63 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 0.91 0.00 0.00 *76 T 7.41 4.24 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 1.21 0.00 0.00 77 S 8.38 4.33 0.00 3.85 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 78 G 8.11 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 0.00 0.00 0.00 79 R 7.69 4.76 0.00 1.89 2.18 0.00 3.49 0.00 0.00 3.52 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 80 N 7.83 4.65 0.00 2.71 2.75 0.00 0.00 6.96 6.62 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 81 L 8.46 4.73 0.00 1.59 1.76 0.40 0.93 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 82 Y 8.69 3.97 0.00 2.80 2.54 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 83 G 8.13 3.65 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 0.00 0.00 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0.00 1.66 2.25 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.43 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 0.00 0.00 0.00 94 S 7.40 4.29 0.00 3.71 3.80 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 95 D 7.63 4.47 0.00 2.84 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 96 S 8.57 4.05 0.00 4.02 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 97 R 8.91 4.62 0.00 2.06 2.13 0.00 2.78 0.00 0.00 2.82 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 98 V 7.38 4.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.04 0.00 0.00 99 F 9.54 5.09 0.00 2.82 2.98 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 0.00 100 W 9.24 5.22 0.00 3.63 3.08 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 1.41 0.00 0.00 134 D 8.11 4.90 0.00 2.82 3.04 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 0.00 135 I 7.55 4.08 1.83 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 1.19 0.81 0.32 0.00 0.00 136 C 8.64 4.34 0.00 3.11 2.98 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 0.00 137 V 7.76 3.59 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 138 L 7.80 4.41 0.00 2.22 2.04 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.71 4.24 0.00 3.39 3.48 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.22 4.08 4.42 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 1.29 0.00 0.00 141 A 8.28 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.17 3.74 1.94 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 1.59 0.89 0.96 0.00 0.00 143 D 8.21 4.26 0.00 2.97 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 0.00 144 A 8.12 3.69 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.24 3.97 0.00 3.18 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 0.00 146 N 8.13 4.38 0.00 2.86 2.84 0.00 0.00 7.12 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 0.00 147 L 7.65 4.36 0.00 1.63 1.63 0.52 0.73 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 0.00 148 G 7.46 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 0.00 0.00 0.00 149 Y 7.80 4.55 0.00 2.95 2.87 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 0.00 150 D 9.16 4.65 0.00 2.76 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 0.00 151 I 8.38 4.97 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.79 0.00 0.00 152 E 9.19 5.08 0.00 1.82 1.76 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 2.18 2.23 0.00 153 I 8.46 4.55 1.81 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.70 0.83 0.00 0.00 154 V 8.34 4.17 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 0.94 0.00 0.00 0.87 0.00 0.00 155 K 8.94 3.88 0.00 1.85 1.81 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.44 7.81 156 P 0.00 4.64 0.00 2.21 2.14 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 157 A 8.17 4.73 1.16 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 0.00 158 V 7.84 5.50 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 0.59 0.00 0.00 1.12 0.00 0.00 159 A 8.34 4.82 1.21 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 0.00 160 S 8.37 4.90 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 3.45 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.28 -0.47 0.00 0.00 162 W 7.80 4.84 0.00 3.45 3.12 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 0.00 163 P 0.00 4.41 0.00 2.33 2.36 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 164 E 8.30 4.09 0.00 2.22 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 2.42 2.33 0.00 165 N 8.29 4.43 0.00 3.17 3.18 0.00 0.00 6.78 8.16 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 0.00 166 H 8.34 4.21 0.00 3.34 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.29 4.02 0.00 2.18 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 2.63 2.55 0.00 168 F 8.33 3.90 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.03 3.51 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 0.00 170 L 7.61 3.99 0.00 1.61 1.69 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 171 G 7.76 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.71 3.72 0.00 2.44 2.86 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.66 4.40 0.00 3.18 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 0.00 174 K 7.96 4.07 0.00 1.86 1.75 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 175 N 8.10 4.51 0.00 2.70 2.77 0.00 0.00 7.03 7.83 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 0.00 176 T 7.42 4.20 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 0.93 0.00 0.00 177 L 7.66 3.70 0.00 1.84 1.72 1.12 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.15 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 0.00 179 A 8.27 4.36 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 0.00 0.00 0.00 0.00 0.00 180 K 8.76 4.26 0.00 1.81 1.65 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.32 7.81 181 L 8.37 4.74 0.00 1.56 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.84 4.93 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 0.79 0.00 0.00 0.95 0.00 0.00 183 D 8.55 5.15 0.00 2.78 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 0.00 184 E 8.91 4.02 0.00 2.07 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 2.27 2.27 0.00 185 N 8.28 4.69 0.00 2.84 2.87 0.00 0.00 6.96 7.85 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 0.00 186 L 7.74 3.67 0.00 1.79 1.74 0.90 0.82 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 0.00 187 N 8.09 4.87 0.00 3.10 2.76 0.00 0.00 6.67 7.67 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 0.00 188 E 8.73 4.26 0.00 1.91 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 1.47 2.12 0.00 189 L 8.41 4.70 0.00 1.42 1.51 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 190 F 8.55 4.47 0.00 2.86 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.