NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4395 8.3044 120.3287 54.9352 33.4351 174.6078 2 V 3.6239 8.0878 121.4508 61.5169 32.3106 172.5010 3 E 4.1723 9.3724 128.8800 56.0110 31.2492 175.1895 4 I 4.3881 8.0825 125.7012 60.0997 38.8396 175.1423 5 N 5.0907 8.1667 120.8108 50.2777 41.9314 174.7543 6 N 4.2271 8.6747 117.3380 57.0441 38.7989 176.5587 7 Q 4.0851 8.1519 118.8070 59.1382 28.9635 178.7226 8 R 4.0476 8.6274 119.3466 59.0275 30.0401 179.0823 9 K 3.9771 8.4818 119.6000 59.5098 32.2568 178.7614 10 A 3.8906 8.0681 121.0916 54.9798 18.0466 179.4480 11 F 4.3115 8.4997 119.3493 61.5831 39.4471 177.4187 12 L 3.9897 8.3335 118.7229 57.8842 41.1504 179.3308 13 D 4.3395 8.1710 118.1886 57.4191 40.8418 178.0191 14 M 4.1097 7.8972 117.6859 58.5179 32.4992 177.6962 15 L 4.0147 7.9997 120.3783 57.9611 42.2443 179.7217 16 A 4.2099 8.1220 117.8697 52.8337 17.8717 178.9863 *18 S 4.2361 8.0107 116.7425 59.9620 63.9232 175.4977 19 E 3.9353 8.4968 117.2962 57.1585 29.3023 177.8703 20 G 3.9210 7.6310 107.3868 45.9820 0.0000 174.5180 21 T 4.1688 7.6563 111.4917 62.8368 69.7654 173.4591 22 D 4.9316 7.8153 120.7674 51.8677 40.8406 173.9560 23 N 4.8739 7.7943 115.3438 51.5099 38.5248 176.4284 24 G 3.9081 8.4310 104.5663 46.6657 0.0000 174.0885 25 R 4.3713 8.3738 116.3415 57.5279 32.1084 176.4923 26 Q 3.9898 8.1806 117.4377 55.7337 29.5373 175.9471 27 K 4.1062 8.4411 126.2031 56.9061 32.9923 175.6685 28 T 4.3134 7.8485 116.3554 61.7658 69.7437 173.1212 29 R 4.4341 8.8470 125.0644 56.3690 31.6541 176.7326 30 N 4.8664 7.7468 116.0169 53.8954 39.4088 173.4246 31 H 4.0730 8.9057 108.6394 56.8623 27.3629 176.8745 32 G 3.8601 8.4529 108.1458 45.4654 0.0000 175.7614 33 Y 4.4812 7.9770 117.5058 59.9827 38.1897 176.6368 34 D 3.6363 7.8903 118.6985 52.4569 41.1395 175.3013 35 V 4.5342 7.7166 120.1684 62.6049 32.9352 174.8651 36 I 4.9636 8.8422 129.1572 59.0884 39.6896 175.7185 37 V 3.9408 7.8840 124.9547 62.9108 31.3752 175.8467 38 G 4.0064 8.8622 111.3868 44.9168 0.0000 174.1304 39 G 4.0040 7.9500 105.2147 45.0547 0.0000 173.6281 40 E 4.3539 8.1670 121.0158 55.8961 31.2450 174.9574 41 L 5.4290 8.4184 122.6845 52.8640 44.6410 175.5929 42 F 5.1996 8.3121 116.4988 55.4542 40.4275 175.0672 43 T 4.2539 8.6141 106.3677 60.7926 70.1545 173.2004 44 D 4.7170 8.1968 122.0638 53.4806 41.8651 174.9594 45 Y 4.9171 8.6795 123.5490 58.0437 38.1935 177.4766 46 S 4.5407 8.3235 116.7594 60.4955 63.5248 173.1800 47 D 4.4150 7.5383 118.0407 53.1404 42.8564 173.9694 48 H 2.7979 8.0445 122.3618 54.8927 29.7785 174.4924 49 P 4.0891 0.0000 0.0000 63.9076 31.1781 177.0999 50 R 3.8756 7.2509 116.3196 56.6779 28.1099 175.6032 51 K 4.1151 7.2982 119.7119 55.4283 32.5212 175.7182 52 L 4.3002 8.4538 129.2611 54.6117 42.8183 175.6228 53 V 4.3320 8.5436 126.9529 61.5283 33.9706 174.7329 54 T 4.4844 8.4477 124.7959 62.2239 68.0279 174.8291 55 L 4.1282 9.1107 128.2834 56.2674 42.1896 177.1977 56 N 4.2838 7.7270 114.4832 51.5989 38.7932 173.5321 57 P 4.2287 0.0000 0.0000 65.0900 31.5058 177.3004 58 K 4.6298 8.8356 116.1491 55.3374 33.3385 175.4033 59 L 4.6941 8.4718 122.0015 53.7044 45.1669 175.0750 60 K 5.5917 8.4969 124.4880 54.0916 36.0439 175.3338 61 S 4.6786 8.3310 114.9199 57.5197 65.7178 174.5462 62 T 4.6069 8.4703 114.1748 61.2603 69.7977 174.1076 63 G 4.0123 8.1185 110.1702 47.6675 0.0000 172.8884 64 A 5.1616 9.2156 124.8274 51.5660 23.5570 176.5609 65 G 4.2472 9.7730 106.2560 44.8421 0.0000 174.7472 66 R 3.5509 8.6793 118.8184 58.6415 29.7142 176.7712 67 Y 4.6420 7.3764 112.3851 56.8228 38.6915 175.6458 68 Q 3.5807 7.9442 118.0597 56.9375 26.9663 173.7724 69 L 4.4736 8.2347 119.9387 54.5203 43.3632 176.0814 70 L 4.5187 8.4704 126.1668 54.3020 42.4472 177.2245 71 S 3.8403 8.5969 117.7336 61.3366 63.2788 176.1544 72 R 4.1534 7.5927 118.3668 56.1310 26.7282 176.0258 *75 D 4.4730 8.1006 124.6569 55.1633 43.6062 177.9384 76 A 3.8618 7.7846 120.2549 55.6638 18.2493 179.4487 77 Y 4.1307 7.7959 114.5092 60.9187 38.0229 178.3697 78 R 3.9901 8.1286 119.4390 59.2319 29.9196 178.3507 79 K 3.9080 7.8723 119.1797 59.6701 32.0728 178.4960 80 Q 3.9872 7.9647 118.3393 58.7512 29.0805 177.4338 81 L 4.5405 8.3431 117.2931 53.4707 42.6032 176.3437 82 G 3.8794 7.7447 106.5444 46.4858 0.0000 174.0918 83 L 4.3910 7.9016 118.9486 53.8930 42.5817 177.7977 84 K 4.3636 8.5663 121.3968 57.0722 32.8283 175.4008 85 D 5.0036 7.6325 115.8880 53.5798 41.7943 174.3855 86 F 5.1185 8.9977 120.7233 57.9505 39.7559 176.2409 87 S 4.3615 8.3943 114.2951 56.8092 65.0679 171.8424 88 P 3.4390 0.0000 0.0000 65.5297 30.7949 178.7385 89 K 3.8492 7.6886 117.5423 59.6763 32.1152 178.8480 90 S 4.1846 7.6860 114.0041 61.6054 62.8251 176.6895 91 Q 4.0518 8.2222 120.9300 59.0652 28.3792 178.5345 92 D 4.5147 8.5511 119.8077 57.2160 40.8043 178.5272 93 A 3.9624 8.1225 121.2793 55.3360 18.4128 179.8775 94 V 3.2946 7.8505 116.3619 65.9247 31.5941 178.0535 95 A 3.8372 7.8220 120.2068 55.1864 18.1111 179.6501 96 L 3.8709 8.0107 117.7026 57.8315 41.6483 179.5231 97 Q 3.9239 8.1781 119.7104 59.3059 28.8436 178.4323 98 Q 3.9838 7.9735 119.0866 58.9347 28.7799 178.7459 99 I 3.6823 7.8290 120.9653 63.9530 36.9913 178.3573 100 K 3.8531 8.3352 120.9238 59.7041 31.8986 178.8226 101 E 4.0335 8.1122 117.0126 58.8253 29.3906 178.5327 102 R 4.4000 7.4701 116.2983 55.2607 30.3470 176.6042 103 G 3.8407 8.0208 106.7570 46.8760 0.0000 175.4146 104 A 4.2428 7.6907 122.3739 52.6645 19.0368 179.9760 105 L 3.7773 7.7736 117.8150 57.6532 41.7402 177.6185 106 P 4.2989 0.0000 0.0000 65.7980 31.1611 178.5931 107 M 4.0160 7.8485 117.0174 58.3176 31.9890 178.7417 108 I 3.5233 7.6902 119.8710 64.5112 37.0788 178.1294 109 D 4.4272 8.2365 118.9364 57.1780 40.7844 178.4681 110 R 4.2987 7.9863 113.8559 56.5988 30.2408 177.3393 111 G 3.9708 8.0570 108.8143 45.9842 0.0000 173.6736 112 D 5.0842 8.0660 122.3158 52.9802 37.6158 177.0007 113 I 3.5959 7.3157 123.9576 64.1663 37.7964 178.0104 114 R 3.9940 7.9551 118.4888 59.5205 29.8716 179.0011 115 Q 4.0028 8.0647 116.9836 58.7876 28.8342 178.2697 116 A 3.8968 7.9171 121.7911 55.1912 18.1562 179.6476 117 I 3.8292 8.0808 117.4994 64.6937 37.4017 177.7927 118 D 4.4761 8.1574 118.4570 57.5701 40.8341 178.5411 119 R 3.9388 8.0556 117.4456 59.0144 30.3636 177.9362 120 C 4.5124 8.2646 114.6725 59.9679 28.3127 175.6123 121 S 4.2290 7.6361 116.2514 60.7094 62.6714 175.1264 122 N 4.5852 8.1308 116.7863 54.3075 37.5789 175.4130 123 I 4.1893 7.6707 119.0589 61.5768 37.2902 176.1920 *125 A 4.4413 7.8635 124.8373 52.0300 20.1083 178.5847 126 S 4.3843 8.1162 108.5924 59.7583 63.6818 174.4950 127 L 4.3140 7.7333 122.0144 53.3565 42.2534 174.6783 128 P 4.5654 0.0000 0.0000 61.8548 32.8778 175.7232 129 G 3.3665 6.0138 107.7130 43.8421 0.0000 174.9070 130 A 2.5800 8.8506 123.9204 54.1462 18.3333 179.6698 131 G 3.7551 7.7324 103.2161 47.6281 0.0000 173.7612 132 Y 4.5005 7.8071 118.4000 57.4657 38.6729 176.9282 133 G 3.7010 8.9531 112.1886 49.0159 0.0000 174.7933 134 Q 4.4188 8.1868 118.4997 55.7780 29.0245 176.5462 135 F 4.0900 8.0939 121.8580 62.1738 38.9987 176.8047 136 E 3.8982 8.5035 117.2855 59.7601 29.0849 178.9660 137 H 4.1732 8.1057 117.4595 59.3475 30.1537 177.4289 138 K 3.7818 8.2739 120.2990 59.2403 31.8408 179.2872 139 A 3.7507 8.0455 121.5169 54.7769 18.0184 179.4932 140 D 4.1890 7.5742 117.2427 57.5936 40.9204 179.0264 141 S 4.0483 7.3977 115.1142 61.6224 62.7729 176.7561 142 L 3.9383 7.7978 121.4711 57.9960 41.3510 179.7664 143 I 3.7184 8.2617 119.8047 64.1193 36.9520 178.4038 144 A 4.0072 8.2132 121.8458 55.2126 18.3742 179.8854 145 K 3.9297 8.1942 117.0615 59.4051 32.0600 179.3492 146 F 4.1162 8.5558 121.2827 61.2796 39.3239 177.3805 147 K 4.2761 8.6309 119.7019 58.8825 31.6943 179.0638 148 E 4.0627 8.1932 115.9745 58.3803 29.7076 177.9271 149 A 4.2708 7.3373 119.8627 52.2636 18.7826 177.8259 150 G 3.7983 7.9014 106.4379 44.9352 0.0000 174.4477 151 G 3.0266 7.4303 109.2236 44.5838 0.0000 173.0156 152 T 4.6178 9.1196 111.8503 59.5382 70.5248 174.2571 153 V 4.4336 8.3418 125.2112 61.3744 33.3720 175.3779 154 R 4.1971 8.4467 124.3645 56.4941 29.8405 175.9813 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 4.44 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 V 8.09 3.62 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 0.70 0.00 0.00 0.97 0.00 0.00 3 E 9.37 4.17 0.00 1.96 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 2.29 2.33 0.00 4 I 8.08 4.39 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.93 0.00 0.00 5 N 8.17 5.09 0.00 2.92 2.88 0.00 0.00 5.87 6.96 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 6 N 8.67 4.23 0.00 2.84 2.86 0.00 0.00 6.90 6.94 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 7 Q 8.15 4.09 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 8 R 8.63 4.05 0.00 1.99 2.00 0.00 3.23 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 9 K 8.48 3.98 0.00 1.94 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 10 A 8.07 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.50 4.31 0.00 3.51 3.29 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 12 L 8.33 3.99 0.00 1.99 1.84 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.17 4.34 0.00 2.78 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 14 M 7.90 4.11 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.39 0.00 15 L 8.00 4.01 0.00 1.66 1.87 0.89 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.12 4.21 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 *18 S 8.01 4.24 0.00 3.92 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 19 E 8.50 3.94 0.00 1.97 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 2.50 2.48 0.00 20 G 7.63 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 21 T 7.66 4.17 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 22 D 7.82 4.93 0.00 2.57 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 0.00 0.00 0.00 0.00 23 N 7.79 4.87 0.00 2.76 2.77 0.00 0.00 6.34 7.00 0.00 0.00 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 8.43 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 0.00 0.00 0.00 25 R 8.37 4.37 0.00 1.91 1.93 0.00 3.17 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 1.54 1.50 0.00 26 Q 8.18 3.99 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 27 K 8.44 4.11 0.00 1.74 1.67 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.40 7.81 28 T 7.85 4.31 4.18 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 1.16 0.00 0.00 29 R 8.85 4.43 0.00 1.90 1.92 0.00 3.22 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 30 N 7.75 4.87 0.00 2.76 2.75 0.00 0.00 7.28 7.89 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 31 H 8.91 4.07 0.00 3.34 3.42 0.00 5.78 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 32 G 8.45 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 0.00 0.00 0.00 33 Y 7.98 4.48 0.00 3.17 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 34 D 7.89 3.64 0.00 2.22 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 35 V 7.72 4.53 2.15 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 0.97 0.00 0.00 0.91 0.00 0.00 36 I 8.84 4.96 2.05 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 1.40 0.93 0.95 0.00 0.00 37 V 7.88 3.94 2.29 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 0.94 0.00 0.00 0.96 0.00 0.00 38 G 8.86 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.95 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 0.00 0.00 0.00 40 E 8.17 4.35 0.00 2.09 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 2.41 2.36 0.00 41 L 8.42 5.43 0.00 1.49 1.42 0.88 0.80 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 42 F 8.31 5.20 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.61 4.25 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 1.18 0.00 0.00 44 D 8.20 4.72 0.00 2.67 2.65 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 45 Y 8.68 4.92 0.00 3.15 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 46 S 8.32 4.54 0.00 4.02 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 0.00 47 D 7.54 4.41 0.00 2.58 2.46 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 0.00 0.00 0.00 0.00 48 H 8.04 2.80 0.00 2.43 2.73 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.09 0.00 2.03 1.72 0.00 2.91 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.39 0.00 50 R 7.25 3.88 0.00 2.08 1.97 0.00 3.07 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 51 K 7.30 4.12 0.00 1.86 1.70 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.36 7.81 52 L 8.45 4.30 0.00 1.67 1.56 0.92 0.94 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 53 V 8.54 4.33 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 0.92 0.00 0.00 0.97 0.00 0.00 54 T 8.45 4.48 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 55 L 9.11 4.13 0.00 1.72 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.73 4.28 0.00 2.90 2.87 0.00 0.00 6.25 7.76 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 57 P 0.00 4.23 0.00 2.06 2.19 0.00 3.62 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 2.04 2.14 0.00 58 K 8.84 4.63 0.00 1.64 1.75 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.33 7.81 59 L 8.47 4.69 0.00 1.71 1.56 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.50 5.59 0.00 1.63 1.65 0.00 1.89 0.00 0.00 2.29 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.24 7.81 61 S 8.33 4.68 0.00 3.89 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 62 T 8.47 4.61 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 63 G 8.12 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 9.22 5.16 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 65 G 9.77 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 66 R 8.68 3.55 0.00 0.70 0.66 0.00 2.21 0.00 0.00 2.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.02 0.00 67 Y 7.38 4.64 0.00 3.10 2.97 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 68 Q 7.94 3.58 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 69 L 8.23 4.47 0.00 2.00 1.89 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.47 4.52 0.00 1.74 1.61 0.97 0.99 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 71 S 8.60 3.84 0.00 3.74 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 72 R 7.59 4.15 0.00 1.99 2.13 0.00 2.99 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 *75 D 8.10 4.47 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.78 3.86 1.05 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 0.00 0.00 77 Y 7.80 4.13 0.00 3.15 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 78 R 8.13 3.99 0.00 1.98 1.99 0.00 3.21 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 1.75 1.96 0.00 79 K 7.87 3.91 0.00 1.82 1.94 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 80 Q 7.96 3.99 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 81 L 8.34 4.54 0.00 1.80 1.75 1.00 0.90 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 82 G 7.74 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 83 L 7.90 4.39 0.00 1.77 1.70 1.03 0.87 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 84 K 8.57 4.36 0.00 1.75 1.89 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.50 7.81 85 D 7.63 5.00 0.00 3.08 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 86 F 9.00 5.12 0.00 2.85 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 87 S 8.39 4.36 0.00 3.89 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 88 P 0.00 3.44 0.00 1.49 0.49 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.00 89 K 7.69 3.85 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.51 7.81 90 S 7.69 4.18 0.00 4.21 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 91 Q 8.22 4.05 0.00 2.39 2.31 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 1.52 2.07 0.00 92 D 8.55 4.51 0.00 2.94 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 93 A 8.12 3.96 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 94 V 7.85 3.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.11 0.00 0.00 95 A 7.82 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.01 3.87 0.00 1.78 1.68 0.91 1.03 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 97 Q 8.18 3.92 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 98 Q 7.97 3.98 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 99 I 7.83 3.68 1.93 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 1.41 1.16 0.69 0.00 0.00 100 K 8.34 3.85 0.00 1.85 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 E 8.11 4.03 0.00 2.18 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 0.00 2.40 2.56 0.00 102 R 7.47 4.40 0.00 1.84 1.95 0.00 3.47 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 103 G 8.02 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 0.00 0.00 0.00 104 A 7.69 4.24 1.20 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 0.00 0.00 105 L 7.77 3.78 0.00 1.64 1.68 0.88 1.01 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 0.00 106 P 0.00 4.30 0.00 2.11 2.07 0.00 3.70 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 2.08 2.14 0.00 107 M 7.85 4.02 0.00 2.13 2.14 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 2.63 2.58 0.00 108 I 7.69 3.52 1.80 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 0.71 0.62 0.91 0.00 0.00 109 D 8.24 4.43 0.00 2.71 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 0.00 110 R 7.99 4.30 0.00 1.97 2.03 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 111 G 8.06 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 0.00 0.00 0.00 112 D 8.07 5.08 0.00 2.76 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 0.00 113 I 7.32 3.60 1.63 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 -0.36 0.57 0.00 0.00 114 R 7.96 3.99 0.00 1.91 2.18 0.00 3.18 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 115 Q 8.06 4.00 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 116 A 7.92 3.90 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 0.00 117 I 8.08 3.83 2.16 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.98 0.00 0.00 118 D 8.16 4.48 0.00 2.72 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 0.00 119 R 8.06 3.94 0.00 1.96 1.96 0.00 3.35 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 120 C 8.26 4.51 0.00 3.15 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 0.00 121 S 7.64 4.23 0.00 3.97 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 0.00 122 N 8.13 4.59 0.00 2.88 3.02 0.00 0.00 5.98 7.81 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 0.00 123 I 7.67 4.19 2.03 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 1.29 0.65 0.97 0.00 0.00 *125 A 7.86 4.44 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 0.00 126 S 8.12 4.38 0.00 4.09 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 0.00 127 L 7.73 4.31 0.00 1.69 1.67 1.03 0.96 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 0.00 128 P 0.00 4.57 0.00 2.33 2.13 0.00 3.73 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 2.06 1.86 0.00 129 G 6.01 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 0.00 0.00 0.00 130 A 8.85 2.58 0.66 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 0.00 131 G 7.73 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 0.00 132 Y 7.81 4.50 0.00 3.08 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 0.00 133 G 8.95 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 0.00 0.00 0.00 134 Q 8.19 4.42 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 135 F 8.09 4.09 0.00 3.25 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 0.00 136 E 8.50 3.90 0.00 2.10 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 2.60 2.42 0.00 137 H 8.11 4.17 0.00 3.24 3.45 0.00 5.87 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 0.00 138 K 8.27 3.78 0.00 1.87 1.75 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 139 A 8.05 3.75 0.66 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 0.00 140 D 7.57 4.19 0.00 2.77 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 0.00 141 S 7.40 4.05 0.00 3.99 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 0.00 142 L 7.80 3.94 0.00 1.72 1.60 0.80 0.49 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 0.00 143 I 8.26 3.72 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.94 0.00 0.00 144 A 8.21 4.01 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 0.00 145 K 8.19 3.93 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.56 7.81 146 F 8.56 4.12 0.00 3.15 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.63 4.28 0.00 2.03 1.85 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.56 7.81 148 E 8.19 4.06 0.00 2.10 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 0.00 2.52 2.29 0.00 149 A 7.34 4.27 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 0.00 150 G 7.90 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 0.00 151 G 7.43 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 0.00 0.00 0.00 152 T 9.12 4.62 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 1.22 0.00 0.00 153 V 8.34 4.43 2.15 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 0.81 0.00 0.00 1.10 0.00 0.00 154 R 8.45 4.20 0.00 1.97 1.78 0.00 3.35 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.