NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5909 8.3149 120.0855 56.4108 33.4910 174.6816 6 I 4.4509 9.0446 126.1652 58.5312 41.0626 169.2491 7 V 4.7587 9.0901 126.1126 61.4869 34.1782 173.8961 8 L 5.0146 8.6854 128.0409 53.0604 44.1051 175.7225 9 K 4.5535 8.7787 124.8036 54.8298 32.8664 176.5672 10 S 4.4895 8.7345 120.7943 57.4635 64.0372 173.8158 11 S 4.4969 8.6241 114.6816 58.2438 62.9043 175.2907 12 D 4.2428 8.5408 118.1001 53.6642 39.5332 175.6726 13 G 3.9232 8.4689 106.8957 47.3671 0.0000 171.9989 14 E 4.5335 7.7604 120.2681 55.2537 32.8384 174.2681 15 S 4.7117 8.6014 120.6432 58.5236 64.2400 174.0368 16 F 4.5956 8.8682 121.2059 55.5039 42.1837 173.9595 17 E 4.3609 8.9390 126.0857 56.0260 29.9802 176.1292 18 V 4.6845 8.6203 119.9215 59.3412 36.4291 175.6376 19 E 4.3113 8.7192 122.3968 55.8618 29.2745 176.3963 20 E 3.8120 8.3254 118.5637 60.6178 29.1217 178.4550 21 A 4.1595 7.6868 122.9705 53.9553 19.1909 179.4113 22 V 3.6476 7.6311 116.8804 65.9550 31.8707 177.7379 23 A 4.1525 7.8091 119.4769 54.1632 17.9862 178.6499 24 L 4.1551 7.3239 114.8535 55.9190 42.0462 178.3125 25 E 4.2771 7.8334 118.2880 57.9908 29.6053 176.8010 26 S 4.4029 7.4679 113.9888 57.1244 62.1717 174.6066 27 Q 4.1281 8.5796 127.8742 58.4168 28.8392 178.9785 28 T 4.0102 7.7782 114.3041 66.1954 68.9736 176.4162 29 I 3.9485 7.5714 121.2653 63.2517 37.1559 178.3341 30 A 4.0715 8.1047 122.2044 55.3958 18.1399 178.9843 31 H 4.4166 7.8615 110.0941 57.0447 28.3399 175.5827 32 M 4.8279 7.6002 118.7105 55.3436 32.4749 176.6595 33 V 4.3918 7.7345 108.0675 60.9651 31.8894 176.7988 34 E 4.1731 7.4461 120.3968 58.8470 29.9075 177.4297 35 D 4.5269 8.3683 118.7014 56.3412 39.4107 178.1346 36 D 4.5201 6.8984 118.8748 57.3428 37.1087 175.4160 37 C 4.3468 8.3427 122.2499 60.7963 28.8445 175.8722 38 V 3.6866 7.8004 120.2797 65.2657 31.2871 177.1540 39 D 4.3911 8.2544 118.5188 57.3174 40.6441 177.1542 40 N 4.8509 8.1736 113.4296 52.4457 39.1562 173.5894 41 G 4.1085 8.1595 108.5273 45.0699 0.0000 174.5032 42 V 3.8129 8.3867 115.6397 60.4595 32.5368 174.0604 43 P 4.8793 0.0000 0.0000 62.1713 31.1081 175.5836 44 L 4.8901 8.7661 127.6295 52.0279 41.0203 174.3939 45 P 5.3300 0.0000 0.0000 63.7538 31.7263 177.0734 46 N 4.7140 8.3240 113.9669 53.3262 40.3191 174.2433 47 V 4.2865 7.3538 119.5201 60.8252 33.0974 175.0309 48 T 4.2654 8.3346 122.5096 61.7770 69.1670 174.5343 49 S 4.2761 8.7353 121.3525 60.7209 62.4405 176.2509 50 K 3.9646 8.1614 122.0074 59.6431 31.8249 178.7076 51 I 3.7741 7.6361 119.3265 64.3551 37.2135 177.6728 52 L 3.7853 8.2046 121.3732 58.1534 41.6435 178.6964 53 A 3.9837 7.8438 120.3904 55.4587 18.5010 179.7490 54 K 4.1124 7.7988 116.7426 59.6412 32.1172 179.8268 55 V 3.7480 8.0466 118.6432 66.1588 31.4981 178.1925 56 I 3.7480 8.0057 119.7647 64.2582 37.0204 177.8162 57 E 3.9652 8.5140 120.3598 59.5931 29.5509 178.3845 58 Y 3.9493 7.9566 118.9340 60.9083 38.8935 177.8103 59 C 4.0529 8.3191 117.6444 62.4970 28.0134 175.5575 60 K 3.6928 8.2905 120.4967 59.9450 31.5205 178.2800 61 R 3.6161 7.5072 117.9266 59.5511 29.9789 178.2154 62 H 3.9652 7.7700 115.7614 58.5090 28.1183 177.9165 63 V 3.6431 7.7228 120.1476 65.4853 31.0721 176.6070 64 E 3.9706 7.5191 116.1073 56.8680 29.1167 176.6853 65 A 4.5696 7.4915 118.9041 52.1043 18.8938 179.6033 66 A 3.8756 7.2426 121.2462 56.2012 18.6914 178.8003 67 A 3.9585 7.6939 122.0602 52.3705 18.4935 177.5916 68 S 4.4038 8.2771 118.7460 59.0296 64.2139 174.3773 *80 D 4.6730 8.5334 122.4289 54.5316 41.3568 177.5678 81 D 4.3586 8.0718 117.9585 57.4191 41.5389 177.5277 82 D 4.3627 8.0044 117.2191 56.0908 41.6326 178.4846 83 L 4.0248 7.9347 119.9512 57.8028 41.7406 179.3250 84 K 3.9855 8.2014 117.3242 58.9650 31.8758 179.1041 85 A 3.9813 7.5692 120.0431 54.9044 18.3963 179.3185 86 W 4.1775 8.2638 126.5652 60.6588 30.8356 177.6852 87 D 4.5323 9.1764 119.0208 57.6795 40.1749 178.6285 88 A 4.0273 7.7992 119.6637 55.4882 18.2888 178.9052 89 D 4.3304 8.2850 116.2518 57.0696 41.0399 178.2199 90 F 4.0114 7.8893 120.9461 60.8065 39.3964 176.1855 91 M 4.0406 7.5035 115.4179 55.2138 33.3499 177.1683 92 K 4.2551 7.3380 120.3023 56.3121 30.1743 174.5033 93 I 4.4804 6.8332 112.3110 58.3411 41.2557 175.6540 94 D 4.6007 7.9803 119.6754 52.4750 41.8026 176.6684 95 Q 3.3455 8.3553 118.5304 59.2630 28.5530 179.1532 96 A 3.8876 7.7665 120.8231 55.5828 18.3343 179.4000 97 T 3.9441 7.3760 113.1907 65.7297 68.9827 176.6849 98 L 3.8033 7.8299 122.7012 58.3629 42.0970 179.1386 99 F 4.5351 7.9549 117.8391 60.8565 38.9843 177.6072 100 E 4.0992 8.1090 118.1204 59.0235 29.1375 179.5021 101 L 4.0251 7.7269 119.0775 57.6403 41.6524 179.1951 102 I 3.6684 7.7506 119.7113 64.6315 37.1371 178.2184 103 L 3.9286 8.0778 119.3301 58.0831 41.3678 179.7630 104 A 4.1311 7.9423 119.8281 55.0690 18.5908 179.5473 105 A 3.9394 8.6739 119.6823 55.2711 18.1763 179.4084 106 N 4.3476 8.2844 115.1496 56.6370 38.8203 176.4403 107 Y 4.4497 7.9915 121.1027 62.0973 39.2632 175.5907 108 L 4.5877 8.0941 125.0191 54.5098 41.8351 178.9099 109 N 4.9757 8.3183 114.7337 53.8135 39.2846 176.2202 110 I 4.2653 7.8436 121.4047 59.3199 37.3347 176.9710 111 K 3.9695 8.4712 127.6642 59.3104 32.3615 178.8216 112 N 4.3441 8.4358 116.0011 56.5015 38.5454 176.7731 113 L 3.7769 7.6110 114.3630 55.4590 41.8773 176.3268 114 L 4.6337 9.2449 118.6849 55.0726 42.4821 178.2936 115 D 4.5482 8.1671 117.4340 56.0564 40.5302 177.7590 116 L 4.5232 7.7194 120.6691 56.9269 43.1060 178.1873 117 T 3.8300 7.6403 109.1526 65.1529 68.9535 176.0730 118 C 4.1573 7.9588 120.4617 62.4619 28.1130 176.1014 119 Q 4.0365 7.6327 119.5696 59.4187 28.3331 178.5206 120 T 3.9055 7.4837 115.9178 66.5096 68.9137 176.6285 121 V 3.8862 8.1419 120.1429 65.9549 31.6026 177.9814 122 A 4.0933 8.5176 121.0347 55.2343 17.9954 179.2757 123 D 4.4324 8.3150 116.6293 57.3247 40.8658 178.4163 124 M 4.2598 7.7191 118.5505 57.9646 32.2090 178.4489 125 I 4.1170 7.6940 119.6836 63.0075 37.3762 176.3807 126 K 3.9455 7.4842 118.8817 58.5617 32.1714 176.3532 127 G 4.0843 9.0466 112.4248 45.3746 0.0000 173.8496 128 K 4.3744 7.7790 118.4239 56.1458 32.8102 177.3589 129 T 4.3742 8.0856 112.1283 60.4265 71.2185 174.1339 130 P 4.2555 0.0000 0.0000 65.5490 31.1031 178.6821 131 E 3.9387 8.0933 117.6801 59.4853 29.7684 178.2100 132 E 3.9515 7.9756 118.2695 59.7157 29.2754 179.6862 133 I 3.8271 7.8489 119.0972 64.5420 37.5953 178.5174 134 R 4.2404 7.9311 116.3943 59.0911 29.3838 178.4024 135 T 3.9340 8.3160 117.9766 66.7196 68.2221 176.2186 136 T 4.4813 7.9844 110.3310 61.7332 69.9875 175.5113 137 F 4.7492 8.4207 116.3337 58.0687 44.7728 173.7661 138 N 4.1890 8.1277 118.2047 54.4544 36.4633 172.4737 139 I 4.4783 8.3823 118.9845 58.7752 40.3042 175.9667 140 K 4.0686 8.5861 125.0457 55.8541 32.6449 176.0433 141 N 4.2931 8.7366 123.7379 54.2591 37.5503 172.9286 142 D 4.7781 8.0324 123.3818 52.7890 39.9671 176.8137 143 F 4.6599 8.2036 119.2803 57.6407 39.6713 176.4477 144 T 4.1383 8.7842 116.1036 61.3308 70.5706 173.9738 145 P 4.2843 0.0000 0.0000 65.4062 31.3614 179.0338 146 E 3.8876 8.1004 117.3307 59.3616 29.4144 178.6925 147 E 3.8652 7.8131 118.6271 59.6262 29.5459 179.0426 148 E 3.1804 8.0826 119.0128 59.0459 29.5682 178.6051 149 E 3.7000 7.9051 119.2088 59.0332 29.7634 178.2004 150 E 3.7193 8.3820 119.7354 59.4158 29.6269 178.8944 151 V 3.5274 7.7890 118.4213 65.9664 31.5899 177.9640 152 R 3.6809 7.8448 118.5123 59.2564 29.8712 178.7241 153 R 2.7809 7.9968 118.0808 58.8971 29.9366 178.6819 154 E 3.6919 8.2753 118.6216 59.7208 29.2949 179.4385 155 N 4.3939 8.1544 114.9994 55.5632 38.5987 176.5183 156 Q 4.4962 7.5042 117.2106 56.1959 30.4231 177.1543 157 W 4.7516 8.3712 118.9001 57.5780 29.7934 175.9777 158 A 4.2869 7.8003 117.6931 52.5720 20.5524 175.8401 159 F 4.9564 7.9856 116.0503 57.9177 40.2606 175.9680 160 E 4.3074 9.1478 125.7008 56.3191 29.9621 174.4926 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 5 K 8.31 4.59 0.00 1.66 1.98 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.04 4.45 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 1.12 0.81 0.92 0.00 0.00 7 V 9.09 4.76 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 1.12 0.00 0.00 0.95 0.00 0.00 8 L 8.69 5.01 0.00 1.70 1.55 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.78 4.55 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.42 7.81 10 S 8.73 4.49 0.00 4.00 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 0.00 11 S 8.62 4.50 0.00 4.19 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 12 D 8.54 4.24 0.00 2.81 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 13 G 8.47 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 14 E 7.76 4.53 0.00 2.13 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 2.33 2.50 0.00 15 S 8.60 4.71 0.00 3.73 3.81 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 16 F 8.87 4.60 0.00 3.18 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.94 4.36 0.00 1.97 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 0.00 2.30 2.42 0.00 18 V 8.62 4.68 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 0.78 0.00 0.00 1.03 0.00 0.00 19 E 8.72 4.31 0.00 2.06 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 2.39 2.36 0.00 20 E 8.33 3.81 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 21 A 7.69 4.16 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 22 V 7.63 3.65 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 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.81 4.15 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 24 L 7.32 4.16 0.00 1.66 1.71 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.83 4.28 0.00 2.07 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 2.43 2.47 0.00 26 S 7.47 4.40 0.00 3.96 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 27 Q 8.58 4.13 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 28 T 7.78 4.01 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 1.09 0.00 0.00 29 I 7.57 3.95 2.04 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 1.36 1.07 0.88 0.00 0.00 30 A 8.10 4.07 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 31 H 7.86 4.42 0.00 3.23 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.60 4.83 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.73 4.39 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 0.75 0.00 0.00 0.97 0.00 0.00 34 E 7.45 4.17 0.00 1.97 1.90 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 2.32 2.26 0.00 35 D 8.37 4.53 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 6.90 4.52 0.00 2.85 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 37 C 8.34 4.35 0.00 3.02 3.01 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 38 V 7.80 3.69 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 1.08 0.00 0.00 0.93 0.00 0.00 39 D 8.25 4.39 0.00 2.69 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 40 N 8.17 4.85 0.00 2.70 2.79 0.00 0.00 7.09 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 41 G 8.16 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 0.00 0.00 0.00 42 V 8.39 3.81 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 0.87 0.00 0.00 0.91 0.00 0.00 43 P 0.00 4.88 0.00 2.11 2.14 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 L 8.77 4.89 0.00 1.85 1.79 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 5.33 0.00 2.20 2.21 0.00 3.60 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 2.01 2.15 0.00 46 N 8.32 4.71 0.00 1.66 1.98 0.00 0.00 6.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.35 4.29 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 1.01 0.00 0.00 1.21 0.00 0.00 48 T 8.33 4.27 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 1.28 0.00 0.00 49 S 8.74 4.28 0.00 4.45 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 50 K 8.16 3.96 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 I 7.64 3.77 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.93 0.00 0.00 52 L 8.20 3.79 0.00 1.63 1.36 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.84 3.98 1.62 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 0.00 0.00 54 K 7.80 4.11 0.00 2.02 2.10 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.55 7.81 55 V 8.05 3.75 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 1.08 0.00 0.00 1.04 0.00 0.00 56 I 8.01 3.75 2.03 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.96 0.00 0.00 57 E 8.51 3.97 0.00 2.19 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 2.70 2.57 0.00 58 Y 7.96 3.95 0.00 2.84 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 59 C 8.32 4.05 0.00 3.18 2.96 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 0.00 0.00 0.00 60 K 8.29 3.69 0.00 1.81 1.93 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 61 R 7.51 3.62 0.00 1.05 1.43 0.00 2.41 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 62 H 7.77 3.97 0.00 3.03 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.72 3.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 64 E 7.52 3.97 0.00 2.01 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 2.24 2.25 0.00 65 A 7.49 4.57 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 66 A 7.24 3.88 1.24 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 0.00 0.00 67 A 7.69 3.96 1.22 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 68 S 8.28 4.40 0.00 3.86 3.78 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 *80 D 8.53 4.67 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.07 4.36 0.00 2.76 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 82 D 8.00 4.36 0.00 2.74 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 83 L 7.93 4.02 0.00 1.94 1.74 0.78 0.42 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 84 K 8.20 3.99 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.57 3.98 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 86 W 8.26 4.18 0.00 3.50 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 87 D 9.18 4.53 0.00 3.00 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 88 A 7.80 4.03 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 89 D 8.29 4.33 0.00 2.93 2.51 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 0.00 0.00 0.00 0.00 90 F 7.89 4.01 0.00 2.11 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 91 M 7.50 4.04 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 92 K 7.34 4.26 0.00 1.80 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 93 I 6.83 4.48 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 0.70 0.00 0.00 94 D 7.98 4.60 0.00 2.77 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 95 Q 8.36 3.35 0.00 1.88 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 96 A 7.77 3.89 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 97 T 7.38 3.94 4.40 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 1.08 0.00 0.00 98 L 7.83 3.80 0.00 1.60 1.45 0.84 0.90 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 99 F 7.95 4.54 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.11 4.10 0.00 2.07 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 0.00 2.54 2.50 0.00 101 L 7.73 4.03 0.00 1.92 1.66 0.65 0.56 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 0.00 102 I 7.75 3.67 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.91 0.00 0.00 103 L 8.08 3.93 0.00 1.87 1.74 0.93 0.74 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 0.00 104 A 7.94 4.13 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.67 3.94 1.35 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 0.00 0.00 106 N 8.28 4.35 0.00 2.85 2.90 0.00 0.00 7.18 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 0.00 107 Y 7.99 4.45 0.00 3.11 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 0.00 108 L 8.09 4.59 0.00 1.63 1.38 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.32 4.98 0.00 2.62 2.76 0.00 0.00 6.74 7.94 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 0.00 110 I 7.84 4.27 1.90 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 1.21 0.70 1.04 0.00 0.00 111 K 8.47 3.97 0.00 1.81 1.83 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.49 7.81 112 N 8.44 4.34 0.00 3.06 2.95 0.00 0.00 6.78 6.74 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 0.00 113 L 7.61 3.78 0.00 1.38 1.72 0.20 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.24 4.63 0.00 1.90 1.75 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.17 4.55 0.00 2.88 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 0.00 116 L 7.72 4.52 0.00 1.87 1.72 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.64 3.83 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 1.18 0.00 0.00 118 C 7.96 4.16 0.00 3.24 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 0.00 119 Q 7.63 4.04 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 7.48 3.91 4.46 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 1.21 0.00 0.00 121 V 8.14 3.89 2.28 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 1.18 0.00 0.00 1.14 0.00 0.00 122 A 8.52 4.09 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 0.00 123 D 8.31 4.43 0.00 2.89 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 0.00 124 M 7.72 4.26 0.00 2.00 2.49 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 125 I 7.69 4.12 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.04 0.97 0.00 0.00 126 K 7.48 3.95 0.00 1.78 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.59 7.81 127 G 9.05 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 K 7.78 4.37 0.00 1.87 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.64 7.81 129 T 8.09 4.37 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 1.22 0.00 0.00 130 P 0.00 4.26 0.00 2.21 2.20 0.00 3.61 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 2.12 2.16 0.00 131 E 8.09 3.94 0.00 2.09 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 0.00 2.39 2.47 0.00 132 E 7.98 3.95 0.00 2.16 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 2.34 2.39 0.00 133 I 7.85 3.83 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.76 1.08 0.00 0.00 134 R 7.93 4.24 0.00 2.18 2.24 0.00 2.95 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 135 T 8.32 3.93 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 136 T 7.98 4.48 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 1.23 0.00 0.00 137 F 8.42 4.75 0.00 3.23 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 0.00 138 N 8.13 4.19 0.00 2.83 2.86 0.00 0.00 6.84 7.94 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 0.00 139 I 8.38 4.48 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.86 0.00 0.00 140 K 8.59 4.07 0.00 1.84 1.83 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.74 4.29 0.00 2.75 2.86 0.00 0.00 7.20 8.47 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 0.00 142 D 8.03 4.78 0.00 2.73 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 0.00 143 F 8.20 4.66 0.00 3.26 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 0.00 144 T 8.78 4.14 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 145 P 0.00 4.28 0.00 2.17 2.14 0.00 3.61 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 2.12 2.19 0.00 146 E 8.10 3.89 0.00 2.05 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 2.40 2.45 0.00 147 E 7.81 3.87 0.00 2.21 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 2.39 2.38 0.00 148 E 8.08 3.18 0.00 1.88 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 0.00 2.14 2.00 0.00 149 E 7.91 3.70 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 2.14 2.17 0.00 150 E 8.38 3.72 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 151 V 7.79 3.53 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.81 0.00 0.00 152 R 7.84 3.68 0.00 1.85 1.81 0.00 3.01 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 153 R 8.00 2.78 0.00 1.64 1.38 0.00 3.02 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 154 E 8.28 3.69 0.00 2.15 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 0.00 2.30 2.32 0.00 155 N 8.15 4.39 0.00 2.80 2.85 0.00 0.00 6.97 8.36 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 0.00 156 Q 7.50 4.50 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 157 W 8.37 4.75 0.00 3.35 3.01 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 0.00 158 A 7.80 4.29 0.27 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 0.00 0.00 159 F 7.99 4.96 0.00 3.08 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 0.00 160 E 9.15 4.31 0.00 2.05 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 2.17 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.