NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3316 8.3044 118.1933 55.2329 31.9580 175.3149 2 D 4.5896 8.3976 119.0228 51.2999 42.9202 174.1913 3 P 4.3919 0.0000 0.0000 62.2041 33.3038 175.5475 4 V 4.0825 8.3700 123.8982 63.4725 31.2668 175.8154 5 V 4.2207 8.8407 121.9569 62.0049 33.0996 176.2524 6 L 4.6049 7.6044 121.6645 53.4770 45.7234 174.1524 7 S 5.2352 8.7771 120.3722 56.7368 64.0312 172.5786 8 Y 4.7833 9.1474 128.3697 57.1233 42.4207 174.7417 9 M 2.9002 7.8803 127.4246 56.8890 31.1418 177.4397 10 D 5.0367 8.8591 122.7541 55.0027 41.9203 175.0935 11 S 4.8098 8.2528 112.9956 56.3254 66.2203 173.1129 12 L 5.0790 8.5065 124.2479 53.3773 43.2230 175.7107 13 L 4.5716 9.2835 124.9081 53.4043 43.8305 176.3338 14 R 4.8137 8.9448 122.5558 54.5476 32.8281 177.2556 15 Q 3.9145 8.7188 121.6199 59.6316 28.6951 178.9202 16 S 4.2882 8.3198 114.0836 61.4569 63.1101 176.1872 17 D 4.4462 7.8195 121.9337 57.3626 40.8040 178.6928 18 V 3.5489 7.8052 118.6857 66.0236 31.5048 178.1300 19 S 4.1876 8.6201 115.1763 61.2623 62.3627 176.4730 20 L 4.1291 7.5632 120.8316 57.2310 41.3670 178.7632 21 L 4.1917 7.7635 117.6454 55.3685 42.1031 176.6682 22 D 4.5926 7.6099 120.7543 52.6156 41.5722 174.5042 23 P 4.4241 0.0000 0.0000 62.1575 31.9142 174.0390 24 P 3.2213 0.0000 0.0000 62.3421 31.9471 176.2349 25 S 4.5079 7.5093 114.4510 59.2292 63.6151 174.0063 26 W 5.0064 8.7152 122.7819 55.2290 30.4015 176.6619 27 L 4.2517 8.5622 122.6595 54.6005 42.0507 175.9648 28 N 5.4615 8.1985 118.5809 50.7955 40.2851 174.6137 29 D 4.3878 9.0367 117.1604 56.7893 39.1861 178.2119 30 H 4.2135 8.1364 117.6588 58.8842 28.7027 177.6007 31 I 3.7185 8.1000 121.5633 64.3423 36.9202 178.6041 32 I 3.2969 7.3944 120.7932 64.0147 36.6986 178.6643 33 G 3.5841 8.3460 106.9072 47.7233 0.0000 175.3408 34 F 4.2008 8.4888 123.3128 60.9594 39.4152 176.9423 35 A 3.1085 7.8339 120.4319 54.9343 18.0018 179.6370 36 F 4.0699 8.2171 116.2114 60.8482 39.0375 177.8575 37 E 4.1042 8.5563 118.4713 59.3294 29.2323 178.8404 38 Y 3.7228 7.9773 121.3359 59.9755 38.6983 177.8044 39 F 4.3804 7.9957 118.8415 60.7144 38.5682 177.6402 40 A 4.2608 7.9251 120.0501 54.8302 18.1078 178.6292 41 N 4.8258 8.0392 111.5859 54.1521 39.9242 174.8828 42 S 4.2342 8.0921 113.3194 58.9566 65.1257 175.3185 43 Q 3.6690 7.2380 122.5208 58.6071 29.3905 178.6544 44 F 5.0163 8.0884 116.6737 56.8656 39.8494 177.1996 45 H 4.2732 8.3305 122.1958 58.6473 29.6003 175.5674 46 D 4.6208 8.1088 115.1579 54.4546 40.0144 176.5467 47 S 4.6359 8.1482 116.6800 58.3703 62.9684 176.1282 48 S 4.2162 7.9318 116.9482 61.0545 62.7754 174.9361 49 D 4.5090 7.9702 118.9797 55.8509 41.0988 176.0599 50 H 5.0102 8.2389 115.6764 55.4120 31.6265 174.3302 51 V 4.9101 7.5805 116.0072 59.7169 34.6275 174.9591 52 S 4.6176 8.7005 116.6964 56.5949 65.6019 172.5354 53 F 5.2156 8.9738 125.7852 55.9464 39.9291 175.2940 54 I 4.4070 9.3482 126.6531 60.5063 37.8403 176.9305 55 S 4.4911 8.9150 121.3414 57.4790 64.0335 173.1002 56 P 4.3220 0.0000 0.0000 66.0740 31.0521 178.3357 57 E 3.8957 8.1680 117.1318 59.4046 29.5374 178.8628 58 V 3.0325 7.5217 118.0566 66.1154 31.4813 177.8448 59 T 3.9240 8.3791 115.8988 66.8928 68.3164 176.2287 60 Q 3.9452 8.4801 121.6016 59.2259 28.7264 177.5312 61 F 4.0411 8.3711 121.5715 61.4029 39.1430 176.7590 62 I 3.7633 8.1563 119.3110 64.7869 37.1913 177.7395 63 K 3.9735 8.0836 118.7974 59.5178 32.0152 177.7939 64 C 4.2889 7.7455 115.3811 60.7927 29.1574 174.8674 65 T 3.7431 8.0550 117.4198 63.6349 68.6116 173.8970 66 S 4.3814 8.3355 118.9805 59.7865 64.8889 174.4870 67 N 4.3659 7.9140 120.6801 52.6552 39.4575 173.4139 68 P 4.3637 0.0000 0.0000 65.8134 30.9975 178.2025 69 A 4.1357 8.1078 120.5784 54.3444 18.5526 178.4814 70 E 4.0799 8.1507 114.6797 57.9486 29.9334 178.3706 71 I 4.1125 7.8081 120.8475 64.5117 37.0563 178.0148 72 A 4.1556 8.0269 121.2103 55.1177 18.0511 178.9745 73 M 4.2317 7.4012 114.8317 56.9397 32.3681 178.1608 74 F 4.4297 7.6916 116.5381 59.3596 39.4766 176.7427 75 L 4.3497 7.2738 116.8130 56.0199 42.3254 178.3839 76 E 4.2152 8.4507 119.1497 59.2960 29.2582 177.6486 77 P 4.4431 0.0000 0.0000 64.7298 31.5465 177.8484 78 L 4.1930 7.8856 116.5771 54.4814 42.9149 175.8033 79 D 4.4499 8.2849 118.6133 55.0144 40.2918 174.9042 80 L 4.1023 7.9966 120.3259 57.5755 42.2336 178.3727 81 P 4.2478 0.0000 0.0000 64.8125 31.3067 176.5267 82 N 4.8395 7.9671 113.6391 52.6061 38.8426 174.3005 83 K 4.5655 7.8792 118.9820 54.4587 34.1371 176.5827 84 R 4.0474 8.5965 124.0284 58.6196 31.5182 176.2272 85 V 4.5533 8.2033 118.2361 60.7356 35.2245 174.6216 86 V 4.7688 8.4208 126.5121 61.1092 34.7198 173.9194 87 F 5.6411 9.2771 126.5927 55.8230 42.1769 174.5044 88 L 5.5188 9.5501 122.0879 53.1130 45.7172 175.2921 89 A 5.1062 9.0671 125.6430 51.3223 20.0250 176.3353 90 I 4.5027 9.4460 125.0806 59.9975 38.9580 175.3196 91 N 4.7920 8.6495 124.3721 49.8336 39.7849 173.8988 92 D 4.1546 7.8973 115.9924 52.9469 39.9338 177.3314 93 N 4.2499 8.8013 115.2202 53.7690 36.7594 174.6772 94 S 4.2455 7.6366 113.4585 57.0778 64.2591 173.0652 95 N 4.5101 8.4082 119.3098 53.6857 38.6294 175.4380 96 Q 4.3188 9.0230 125.5382 58.4224 29.0153 178.7242 97 A 4.0777 8.0487 118.6046 54.0430 18.4751 177.7323 98 A 4.0640 7.9226 117.8143 52.2562 18.7165 177.6434 99 G 3.6458 8.3680 103.8478 46.1114 0.0000 175.0150 100 G 2.4995 7.2052 104.8397 44.1851 0.0000 173.6198 101 S 4.3369 7.8201 116.4694 57.5335 63.4618 172.6400 102 H 5.3947 9.5440 126.4064 54.9783 31.1924 173.8241 103 W 5.3271 8.7919 124.7654 55.1964 32.3616 174.5960 104 S 4.8899 9.6014 116.8870 57.2256 67.1995 171.9281 105 L 5.4674 9.1045 121.1021 53.4020 44.6643 174.5976 106 L 5.4158 9.2480 128.6874 53.4749 44.5681 174.9465 107 V 4.8849 9.4492 126.3617 61.3406 34.3775 173.2014 108 Y 4.7262 9.1543 129.8823 55.9623 40.6205 174.0029 109 L 4.2715 7.6169 127.2000 52.7146 43.5380 177.2563 110 Q 3.6352 8.2774 125.9955 58.5607 29.2072 177.7103 111 D 4.1983 7.6484 115.5761 57.3836 41.1705 177.3562 112 K 4.1768 7.5665 115.4367 56.1622 32.8047 177.0273 113 N 4.0469 7.7485 116.3931 53.2557 36.4745 173.7808 114 S 4.6794 6.6931 112.9792 57.0792 66.6284 173.6315 115 F 5.1060 9.0799 124.5714 56.4581 41.3109 174.8223 116 F 4.9027 9.5593 119.7823 55.9380 42.8392 173.2025 117 H 5.4634 9.0503 123.9467 54.6199 32.3150 172.3686 118 Y 4.7696 9.4334 124.1142 56.3776 40.1655 174.1608 119 D 5.3591 8.5979 124.5617 52.2992 43.5537 175.9043 120 S 4.9771 8.9612 119.1716 59.2070 63.8899 172.9136 121 H 5.0654 8.3727 121.7096 54.6315 30.2939 173.7584 122 S 4.4099 7.8813 122.9425 59.4013 61.5447 171.6351 123 R 4.7319 8.2474 113.1488 55.2155 30.6433 177.4116 124 S 4.0354 8.4702 115.1945 61.4520 62.5411 174.7214 125 N 5.0080 9.3178 115.4036 53.3315 38.9882 176.7939 126 S 4.1610 8.0948 117.3253 61.8663 62.8657 176.8953 127 V 3.4359 7.6195 120.0792 66.2750 31.4108 177.5421 128 H 4.1133 8.0045 115.2087 58.8735 28.5201 177.5452 129 A 4.0827 8.1538 122.5580 55.0077 18.2185 179.8649 130 K 3.2718 7.8175 117.0267 59.2706 32.1202 179.3764 131 Q 3.8789 7.8735 118.3733 59.1511 28.6664 179.4696 132 V 3.5833 7.6102 118.2308 65.8721 31.5345 177.8577 133 A 3.3248 8.0269 120.6975 54.8302 18.0355 179.3192 134 E 3.8733 8.4069 117.4340 59.7666 29.6477 179.9415 135 K 4.0989 7.9336 117.8530 59.1271 32.0797 179.3137 136 L 4.1574 8.2451 121.0163 57.8614 41.9136 178.5194 137 E 3.9715 8.6453 119.2542 59.3530 29.4423 178.5842 138 A 4.0349 7.8278 119.4407 55.4351 18.4634 178.9050 139 F 4.2509 8.1118 117.7242 61.1733 39.5643 176.7431 140 L 3.6445 7.8912 118.9010 56.2442 41.7228 179.0406 141 G 3.8856 7.9395 104.8804 45.0015 0.0000 173.1225 142 R 4.4274 7.4194 120.1253 54.6324 32.4244 176.2785 *146 K 4.0500 8.4701 124.0527 56.3341 34.0736 175.5851 *147 L 3.8556 9.2866 123.8571 54.2879 38.9393 171.9137 148 A 3.7276 9.3676 127.5475 53.6000 15.1976 176.5219 149 F 5.0088 8.3977 122.3791 57.3504 42.4359 173.8931 150 V 4.2132 7.9242 127.1791 60.8339 33.5308 174.3165 151 E 4.5007 8.9292 129.6882 55.9081 29.2655 175.6111 152 E 4.1696 8.7613 131.2267 55.7990 30.7337 177.2015 153 K 4.0205 8.7059 126.6568 54.8957 31.8178 176.2204 154 A 5.0583 8.1932 126.7822 48.1761 22.2859 173.5974 155 P 4.1380 0.0000 0.0000 63.2360 31.9401 175.1991 156 A 4.8894 8.2869 125.3714 50.0536 20.6565 176.5557 157 Q 4.0368 8.1761 121.6227 55.4195 29.4370 176.2606 158 Q 4.2859 8.5644 118.2053 56.3415 30.2279 175.5535 159 N 4.7111 7.5602 115.7605 50.6487 40.4797 175.5182 160 S 3.8839 8.4282 118.0267 61.3326 63.1112 175.5609 161 Y 2.3900 6.7425 116.3069 57.6006 38.0256 176.1485 162 D 4.6556 7.2021 120.8476 54.6290 41.2278 177.5973 163 C 4.5250 7.1039 118.2101 60.9870 29.5239 176.2567 164 G 3.4817 8.1679 107.6061 47.6035 0.0000 175.5021 165 M 3.9589 7.9098 120.5229 58.2312 31.7868 178.0423 166 Y 4.0244 7.9412 117.0273 61.0913 38.1130 178.9818 167 V 3.7958 7.8669 118.6535 66.1809 31.6814 178.1588 168 I 3.9182 7.7183 119.4203 64.8141 36.8831 178.3542 169 C 4.4077 8.6784 117.9259 62.6059 27.8540 175.9018 170 N 4.2595 8.7724 118.7016 56.5469 38.1468 177.3347 171 T 3.3581 7.9487 116.9916 66.4730 68.4910 176.2185 172 E 3.5311 8.1543 120.6141 59.1678 29.7584 178.5737 173 A 3.9505 8.1323 120.8990 55.1835 18.4013 179.5450 174 L 3.3539 7.9725 117.7022 57.9759 41.6705 179.5862 175 C 4.0798 7.8783 116.5643 62.7670 27.8932 176.0656 176 Q 4.2036 8.1310 119.7151 59.1472 28.0595 178.9089 177 N 4.5908 7.3821 117.7027 55.6134 38.6297 177.3872 178 F 4.2739 7.5136 118.2376 60.1683 39.0667 177.0552 179 F 5.0139 8.1008 113.9622 57.3178 39.0865 176.6176 180 R 4.5648 7.8710 116.6245 55.2850 30.6448 176.2992 181 Q 3.7155 8.0950 114.8576 56.9527 26.2327 173.7965 182 Q 4.3893 7.2858 117.3660 55.9715 29.4576 176.0375 183 T 4.7466 7.8851 107.1824 61.3476 69.3847 174.2179 184 E 3.9830 8.3213 120.6347 57.3089 30.3752 177.0658 185 S 4.4035 8.3317 116.3444 57.2313 63.5953 174.7716 186 L 3.9081 8.5039 129.6020 58.0487 41.2629 179.4455 187 L 4.0092 7.8217 117.1421 57.9327 41.7473 179.2023 188 Q 4.1050 8.0612 116.2045 58.5761 28.7390 177.7835 189 L 3.9253 7.6727 121.7014 56.7878 43.6347 177.5646 190 L 4.2796 7.5278 120.3397 53.7122 40.2413 176.8488 191 T 4.4046 7.4056 113.0661 60.1623 71.8424 173.8344 192 P 4.2769 0.0000 0.0000 65.8619 31.3331 178.5767 193 A 4.0172 8.1177 118.8955 55.4516 18.1863 178.9232 194 Y 3.9657 8.0705 117.7640 60.9189 38.9388 177.9553 195 I 3.5060 7.9416 120.8076 64.9228 36.6537 178.5233 196 T 3.8714 8.0098 116.2730 66.4502 68.2875 176.7216 197 K 3.9338 8.0048 121.6021 59.4599 32.1246 179.0840 198 K 3.9326 7.9996 118.9103 59.1095 31.8404 179.4019 199 R 4.0762 8.0984 118.8242 59.4026 30.0049 179.2535 200 G 3.5741 7.7544 104.2279 47.7965 0.0000 175.5945 201 E 3.8763 8.1502 120.9947 58.9957 29.4376 179.5776 202 W 3.8559 8.5814 119.3716 59.3538 29.0796 178.7552 203 K 3.9380 8.3140 118.6330 59.6115 31.4667 178.9576 204 D 4.2932 8.4080 119.4624 57.3086 40.6592 178.7633 205 L 3.7400 7.8855 120.7498 58.0381 42.1457 178.9990 206 I 3.4754 7.7853 119.5502 64.2986 36.7952 178.2229 207 A 3.9559 7.6581 120.2825 55.4772 18.4745 179.5971 208 T 3.9681 8.0693 114.3036 66.7156 68.3489 177.0146 209 L 4.0290 8.0526 119.9882 57.8739 41.7415 179.2649 210 A 4.1391 7.7599 118.9607 54.2713 18.3531 178.9342 211 K 4.1173 7.9348 118.0090 58.3214 32.5165 177.6831 *212 K 4.1220 7.9217 125.0174 54.6816 32.4188 180.9372 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 1 M 8.30 4.33 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 2 D 8.40 4.59 0.00 2.71 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 3 P 0.00 4.39 0.00 2.09 1.93 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 4 V 8.37 4.08 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 0.79 0.00 0.00 0.92 0.00 0.00 5 V 8.84 4.22 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 0.70 0.00 0.00 0.87 0.00 0.00 6 L 7.60 4.60 0.00 1.58 1.26 0.94 0.36 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 7 S 8.78 5.24 0.00 3.91 3.75 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 8 Y 9.15 4.78 0.00 3.08 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 9 M 7.88 2.90 0.00 2.09 1.18 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.27 0.00 10 D 8.86 5.04 0.00 2.58 2.63 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 11 S 8.25 4.81 0.00 4.22 3.83 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 12 L 8.51 5.08 0.00 1.51 1.58 0.93 0.99 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 13 L 9.28 4.57 0.00 1.34 1.41 0.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.94 4.81 0.00 1.81 2.08 0.00 3.09 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 15 Q 8.72 3.91 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 16 S 8.32 4.29 0.00 4.06 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.82 4.45 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 18 V 7.81 3.55 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 0.87 0.00 0.00 19 S 8.62 4.19 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.56 4.13 0.00 1.83 1.77 1.07 1.11 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 21 L 7.76 4.19 0.00 1.78 1.72 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.61 4.59 0.00 2.75 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 23 P 0.00 4.42 0.00 1.95 1.94 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 24 P 0.00 3.22 0.00 1.69 1.63 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 25 S 7.51 4.51 0.00 4.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.72 5.01 0.00 3.27 3.30 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 27 L 8.56 4.25 0.00 1.42 1.38 0.66 0.92 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 28 N 8.20 5.46 0.00 3.09 3.05 0.00 0.00 5.85 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 9.04 4.39 0.00 3.02 3.22 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 30 H 8.14 4.21 0.00 3.43 3.38 0.00 5.81 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 31 I 8.10 3.72 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 0.72 0.00 0.00 32 I 7.39 3.30 1.04 0.00 0.00 -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 0.71 -0.10 0.08 0.00 0.00 33 G 8.35 3.58 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 0.00 0.00 0.00 34 F 8.49 4.20 0.00 3.17 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 35 A 7.83 3.11 0.37 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 0.00 0.00 36 F 8.22 4.07 0.00 3.16 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 37 E 8.56 4.10 0.00 2.34 2.27 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 2.46 2.59 0.00 38 Y 7.98 3.72 0.00 1.79 2.56 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 39 F 8.00 4.38 0.00 1.87 1.81 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 40 A 7.93 4.26 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 41 N 8.04 4.83 0.00 2.94 2.84 0.00 0.00 6.77 6.86 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 42 S 8.09 4.23 0.00 3.46 2.63 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 43 Q 7.24 3.67 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.20 0.00 0.00 0.00 0.00 0.00 1.16 2.00 0.00 44 F 8.09 5.02 0.00 3.42 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 45 H 8.33 4.27 0.00 3.21 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.11 4.62 0.00 2.87 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 47 S 8.15 4.64 0.00 3.85 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.93 4.22 0.00 3.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.97 4.51 0.00 2.49 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 50 H 8.24 5.01 0.00 2.92 3.40 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.58 4.91 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 0.57 0.00 0.00 0.46 0.00 0.00 52 S 8.70 4.62 0.00 3.88 3.70 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 53 F 8.97 5.22 0.00 3.02 2.63 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 54 I 9.35 4.41 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 1.01 0.00 0.00 55 S 8.91 4.49 0.00 4.06 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 56 P 0.00 4.32 0.00 2.23 2.38 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 57 E 8.17 3.90 0.00 2.03 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 2.15 2.25 0.00 58 V 7.52 3.03 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 0.95 0.00 0.00 0.38 0.00 0.00 59 T 8.38 3.92 4.50 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 1.38 0.00 0.00 60 Q 8.48 3.95 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 61 F 8.37 4.04 0.00 3.11 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 62 I 8.16 3.76 2.11 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 1.50 0.96 0.96 0.00 0.00 63 K 8.08 3.97 0.00 1.95 1.94 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 64 C 7.75 4.29 0.00 2.91 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 65 T 8.06 3.74 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 1.17 0.00 0.00 66 S 8.34 4.38 0.00 3.92 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 67 N 7.91 4.37 0.00 2.85 2.94 0.00 0.00 6.94 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 68 P 0.00 4.36 0.00 2.37 2.34 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 69 A 8.11 4.14 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.15 4.08 0.00 2.33 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 2.44 2.84 0.00 71 I 7.81 4.11 2.15 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 1.52 1.11 0.97 0.00 0.00 72 A 8.03 4.16 1.66 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 0.00 0.00 73 M 7.40 4.23 0.00 1.71 2.07 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 2.63 2.58 0.00 74 F 7.69 4.43 0.00 3.06 2.93 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 75 L 7.27 4.35 0.00 0.51 0.89 0.46 0.77 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 76 E 8.45 4.22 0.00 2.22 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 2.49 2.73 0.00 77 P 0.00 4.44 0.00 2.07 2.14 0.00 3.79 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 2.05 2.18 0.00 78 L 7.89 4.19 0.00 1.79 1.77 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.28 4.45 0.00 2.89 2.66 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 80 L 8.00 4.10 0.00 2.01 1.81 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.25 0.00 2.03 2.09 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 82 N 7.97 4.84 0.00 3.06 2.81 0.00 0.00 6.85 7.06 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 83 K 7.88 4.57 0.00 1.81 1.69 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.61 1.50 7.81 84 R 8.60 4.05 0.00 1.89 2.10 0.00 3.05 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 85 V 8.20 4.55 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 -0.02 0.00 0.00 0.24 0.00 0.00 86 V 8.42 4.77 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 1.04 0.00 0.00 1.02 0.00 0.00 87 F 9.28 5.64 0.00 2.83 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 9.55 5.52 0.00 1.86 1.75 1.23 1.11 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 89 A 9.07 5.11 1.04 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 0.00 0.00 90 I 9.45 4.50 2.07 0.00 0.00 1.00 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 1.18 0.98 0.00 0.00 91 N 8.65 4.79 0.00 1.44 1.42 0.00 0.00 6.37 8.06 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 92 D 7.90 4.15 0.00 2.54 2.86 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 93 N 8.80 4.25 0.00 2.77 2.96 0.00 0.00 6.91 7.60 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 94 S 7.64 4.25 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.41 4.51 0.00 2.78 2.72 0.00 0.00 6.88 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 9.02 4.32 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 97 A 8.05 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 98 A 7.92 4.06 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 99 G 8.37 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 0.00 0.00 0.00 0.00 0.00 100 G 7.21 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 0.00 0.00 0.00 101 S 7.82 4.34 0.00 4.00 3.56 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 0.00 102 H 9.54 5.39 0.00 3.45 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.79 5.33 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 9.60 4.89 0.00 4.07 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 0.00 105 L 9.10 5.47 0.00 2.04 1.86 1.42 0.73 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 0.00 106 L 9.25 5.42 0.00 2.08 1.79 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.45 4.88 2.45 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 0.64 0.00 0.00 1.40 0.00 0.00 108 Y 9.15 4.73 0.00 2.88 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 0.00 109 L 7.62 4.27 0.00 1.48 1.22 0.61 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.28 3.64 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 111 D 7.65 4.20 0.00 2.49 2.52 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 0.00 112 K 7.57 4.18 0.00 1.80 1.91 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.57 7.81 113 N 7.75 4.05 0.00 2.76 2.94 0.00 0.00 6.61 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 0.00 114 S 6.69 4.68 0.00 3.75 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 0.00 115 F 9.08 5.11 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.56 4.90 0.00 3.01 2.74 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 0.00 117 H 9.05 5.46 0.00 2.89 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 9.43 4.77 0.00 3.01 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 0.00 119 D 8.60 5.36 0.00 2.55 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 0.00 120 S 8.96 4.98 0.00 3.26 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 0.00 121 H 8.37 5.07 0.00 3.09 3.02 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.88 4.41 0.00 3.95 3.07 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 0.00 123 R 8.25 4.73 0.00 1.87 1.88 0.00 3.21 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 124 S 8.47 4.04 0.00 3.73 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 0.00 125 N 9.32 5.01 0.00 3.18 2.97 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.09 4.16 0.00 3.84 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 0.00 127 V 7.62 3.44 1.89 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 0.93 0.00 0.00 0.84 0.00 0.00 128 H 8.00 4.11 0.00 3.35 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.15 4.08 1.33 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 0.00 0.00 0.00 130 K 7.82 3.27 0.00 1.60 1.58 0.00 1.35 0.00 0.00 1.22 0.00 0.00 2.44 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.67 7.81 131 Q 7.87 3.88 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 132 V 7.61 3.58 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 1.09 0.00 0.00 1.02 0.00 0.00 133 A 8.03 3.32 0.56 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 0.00 134 E 8.41 3.87 0.00 2.11 1.98 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 2.25 2.40 0.00 135 K 7.93 4.10 0.00 1.86 1.89 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.60 7.81 136 L 8.25 4.16 0.00 2.04 1.95 1.01 0.95 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 0.00 137 E 8.65 3.97 0.00 2.42 2.34 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 2.38 2.44 0.00 138 A 7.83 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.11 4.25 0.00 3.08 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 0.00 140 L 7.89 3.64 0.00 1.73 1.63 0.41 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.42 4.43 0.00 1.75 1.83 0.00 3.21 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 *146 K 8.47 4.05 0.00 1.80 1.65 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *147 L 9.29 3.86 0.00 1.77 1.22 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 148 A 9.37 3.73 1.45 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 0.00 0.00 0.00 149 F 8.40 5.01 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 0.00 150 V 7.92 4.21 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 0.95 0.00 0.00 0.81 0.00 0.00 151 E 8.93 4.50 0.00 2.17 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 2.36 2.40 0.00 152 E 8.76 4.17 0.00 1.59 1.12 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 2.18 2.26 0.00 153 K 8.71 4.02 0.00 1.81 1.63 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.01 7.81 154 A 8.19 5.06 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.14 0.00 2.44 2.45 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 156 A 8.29 4.89 1.17 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 0.00 157 Q 8.18 4.04 0.00 2.17 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 158 Q 8.56 4.29 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 159 N 7.56 4.71 0.00 2.03 1.42 0.00 0.00 6.91 7.33 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 0.00 160 S 8.43 3.88 0.00 4.06 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 0.00 161 Y 6.74 2.39 0.00 2.62 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 7.20 4.66 0.00 2.77 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 0.00 163 C 7.10 4.53 0.00 3.54 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.17 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 M 7.91 3.96 0.00 1.83 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 166 Y 7.94 4.02 0.00 3.31 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 0.00 167 V 7.87 3.80 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 1.19 0.00 0.00 1.21 0.00 0.00 168 I 7.72 3.92 1.63 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.39 0.51 0.00 0.00 169 C 8.68 4.41 0.00 3.03 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 0.00 170 N 8.77 4.26 0.00 3.02 2.73 0.00 0.00 6.94 7.06 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 0.00 171 T 7.95 3.36 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 0.04 0.00 0.00 172 E 8.15 3.53 0.00 2.31 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 0.00 2.49 2.75 0.00 173 A 8.13 3.95 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 0.00 174 L 7.97 3.35 0.00 1.73 1.49 0.62 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 175 C 7.88 4.08 0.00 2.31 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 0.00 176 Q 8.13 4.20 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.80 2.64 0.00 177 N 7.38 4.59 0.00 2.25 2.50 0.00 0.00 6.99 7.59 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 0.00 178 F 7.51 4.27 0.00 1.51 1.69 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 0.00 179 F 8.10 5.01 0.00 3.11 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 0.00 180 R 7.87 4.56 0.00 2.08 1.98 0.00 3.58 0.00 0.00 3.42 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 181 Q 8.09 3.72 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 182 Q 7.29 4.39 0.00 2.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 183 T 7.89 4.75 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 1.17 0.00 0.00 184 E 8.32 3.98 0.00 1.88 1.82 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 2.20 2.28 0.00 185 S 8.33 4.40 0.00 3.84 3.68 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 0.00 186 L 8.50 3.91 0.00 1.74 1.71 0.72 0.51 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 0.00 187 L 7.82 4.01 0.00 1.61 1.74 0.94 0.97 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 0.00 188 Q 8.06 4.10 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 189 L 7.67 3.93 0.00 1.47 1.57 0.57 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.53 4.28 0.00 1.79 1.75 1.12 1.15 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 0.00 191 T 7.41 4.40 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 1.22 0.00 0.00 192 P 0.00 4.28 0.00 2.22 2.20 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 193 A 8.12 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 8.07 3.97 0.00 3.08 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 I 7.94 3.51 1.84 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 -0.36 0.71 0.00 0.00 196 T 8.01 3.87 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 1.23 0.00 0.00 197 K 8.00 3.93 0.00 2.02 1.63 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.47 7.81 198 K 8.00 3.93 0.00 1.84 1.89 0.00 1.79 0.00 0.00 1.52 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.75 0.90 7.81 199 R 8.10 4.08 0.00 2.06 2.16 0.00 3.16 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 200 G 7.75 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 0.00 0.00 0.00 201 E 8.15 3.88 0.00 2.05 1.71 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 2.19 2.37 0.00 202 W 8.58 3.86 0.00 3.33 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 0.00 203 K 8.31 3.94 0.00 2.00 1.83 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.65 7.81 204 D 8.41 4.29 0.00 2.70 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 0.00 205 L 7.89 3.74 0.00 1.31 1.49 0.55 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 206 I 7.79 3.48 1.88 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 0.75 1.01 0.66 0.00 0.00 207 A 7.66 3.96 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 0.00 208 T 8.07 3.97 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 1.18 0.00 0.00 209 L 8.05 4.03 0.00 1.82 1.82 0.96 0.97 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 0.00 210 A 7.76 4.14 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 0.00 211 K 7.93 4.12 0.00 1.87 1.86 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.63 7.81 *212 K 7.92 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.