NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8455 8.1676 115.8995 57.2411 40.3174 176.6641 11 H 3.2644 6.3223 117.3677 56.9508 28.4628 173.6541 12 E 4.2825 8.2721 121.3493 58.5783 30.4648 178.6041 13 M 4.5597 7.5233 115.9521 55.5054 32.0239 177.0141 14 R 4.6106 7.5764 115.0418 55.2757 33.4698 175.2677 15 E 4.1706 7.7131 117.1673 54.7041 30.4986 174.3851 16 P 4.3258 0.0000 0.0000 63.3409 32.1457 175.3630 17 R 4.4414 7.9515 117.1257 55.0645 33.5100 173.7508 18 I 4.5161 8.1917 121.0143 60.6473 37.4416 175.5267 19 E 4.2423 9.3459 130.1030 58.5509 30.0473 176.5195 20 K 5.2205 7.4268 115.3956 57.0223 36.0898 174.4523 21 V 4.5560 8.0260 120.3076 61.2845 34.6142 174.6025 22 V 4.3619 8.3969 130.0574 61.7923 32.5371 175.0085 23 V 4.4412 8.1058 123.1121 60.3834 32.9825 175.0625 24 H 5.2806 8.8562 124.5597 54.6898 33.6557 172.1311 25 M 4.4480 8.4238 123.0972 53.3508 34.4291 175.3195 26 G 3.5922 8.3020 112.2223 47.0096 0.0000 171.4429 27 I 3.8518 8.9324 130.2469 60.2479 36.3545 177.2529 28 G 4.8826 5.3800 127.0700 47.3180 0.0000 172.8937 29 H 4.5234 7.3949 112.1999 56.5522 32.8805 173.7170 *35 A 4.3794 7.7948 124.2777 52.0961 19.0207 178.3399 36 N 4.5199 9.4519 118.0387 55.3898 37.3588 174.8977 37 A 4.4194 7.6869 122.7607 53.0196 19.4793 178.7471 38 E 3.8946 8.1198 117.9518 59.6713 29.2572 178.7795 39 D 4.4302 8.2386 118.4327 57.6893 40.7282 179.1414 40 I 3.8941 7.5239 112.6578 63.6656 37.7275 178.1368 41 L 4.1143 7.9921 120.1914 57.1543 41.2973 179.3758 42 G 3.7293 7.8763 105.9439 47.3093 0.0000 175.4796 43 E 4.1082 7.6235 118.7913 57.9512 29.6131 178.1306 44 I 4.1604 7.4749 118.3783 62.2017 38.4310 176.5149 45 T 4.4879 7.9324 109.1010 64.8974 69.9043 174.6765 46 G 3.5740 7.3097 111.2569 44.2456 0.0000 173.0316 47 Q 4.6877 7.0568 116.9532 53.6719 31.4349 175.0510 48 M 4.1238 8.3488 117.6766 55.0371 32.3530 174.6875 49 P 4.9496 0.0000 0.0000 61.8150 34.1967 174.5626 50 V 4.5151 8.0180 118.1258 61.1234 35.0080 175.1543 51 R 4.6527 8.6127 125.5877 56.5866 31.5877 176.0709 52 T 4.4613 8.4231 115.6594 62.4616 72.1117 173.7317 53 K 5.3328 8.7022 128.6852 55.4717 35.0660 174.8053 54 A 4.6474 7.6108 122.4801 52.1911 22.7933 176.2339 55 K 4.5757 8.0252 116.8551 55.9573 36.0799 176.1199 56 R 4.2562 8.8394 122.3034 56.3510 29.5582 176.5676 57 T 4.3471 8.1750 116.9531 63.5092 69.6345 174.3895 58 V 4.5252 8.3478 123.3436 60.7860 34.7244 176.9837 59 G 3.6658 8.8069 115.0754 48.5175 0.0000 174.6435 60 E 4.2032 8.0449 118.8130 57.6438 29.1433 177.1873 61 F 4.1997 8.0955 117.3904 60.3799 38.5440 175.2373 62 D 4.7964 8.3185 122.8732 52.8263 41.6376 175.4882 63 I 3.9518 7.6111 113.6343 62.3924 39.0682 176.8013 64 R 4.0122 7.8141 121.4215 55.3507 29.0060 174.8911 65 E 3.7281 8.4476 127.7348 59.0149 30.0775 176.2766 66 G 4.2175 7.6686 116.9298 45.8453 0.0000 171.4200 67 D 4.7320 8.3311 123.8353 50.9277 42.4301 173.3247 68 P 4.5687 0.0000 0.0000 64.2192 31.5017 175.3958 69 I 4.5902 8.9792 121.8088 62.7153 42.9484 174.8156 70 G 4.3327 7.7745 105.9975 45.3477 0.0000 170.7117 71 A 5.9400 8.4586 119.2490 50.5396 23.1704 175.5154 72 K 5.5457 8.2653 116.6996 56.3028 36.8306 175.1823 73 V 4.3954 8.0169 120.0672 61.8580 34.7353 173.0970 74 T 4.6344 8.5263 119.0809 60.4950 70.0579 173.9131 75 L 4.6281 8.4316 127.2962 53.1291 43.6602 176.0004 76 R 4.8753 8.1309 121.6793 54.3698 33.5841 175.2320 77 D 4.5585 8.9767 121.9638 55.6306 38.9262 176.1350 78 E 3.9723 9.0399 125.8875 60.9865 29.0419 178.1388 79 M 3.9987 8.2427 117.7905 58.4808 31.8710 178.7085 80 A 4.0541 7.8547 120.4804 55.2692 18.6702 179.5730 81 E 3.9327 8.1322 116.5474 59.6579 29.4351 179.1503 82 E 3.9502 8.2056 117.5417 59.4652 29.8183 179.0680 83 F 4.2475 8.0671 120.5910 61.3755 39.5356 177.2609 84 L 4.0877 8.3406 118.5837 57.6382 41.0518 179.2269 85 Q 4.2644 7.6621 114.3412 56.5957 28.2382 176.4377 86 T 4.4781 7.6985 109.1062 61.9923 73.7513 175.8651 87 A 3.9417 7.7197 124.0211 54.8452 18.3940 179.1925 88 L 3.7978 7.9495 116.8423 57.8951 41.5362 178.0938 89 P 4.2731 0.0000 0.0000 65.3985 31.3164 177.9670 90 L 4.2390 7.8271 115.5912 55.0575 41.8609 175.8801 91 A 4.6729 7.4856 120.6738 49.9896 21.9580 175.0802 92 E 4.5078 8.2693 117.8804 54.4244 31.1012 176.5627 93 L 4.1680 8.3254 124.0009 54.4538 42.4009 176.1882 94 A 5.6057 8.0695 122.8502 49.5436 21.6014 176.6084 95 T 4.1254 8.4779 114.9556 67.0179 68.8364 177.8999 96 S 4.4428 8.1256 115.4657 61.4131 63.0197 176.2930 97 Q 4.4774 7.9381 117.0991 56.4114 27.8398 175.2632 98 F 5.1641 8.1780 116.9112 55.4313 41.7232 175.0586 99 D 4.7069 9.6387 124.7661 54.0075 41.7602 177.0381 100 D 4.4665 8.5913 122.2811 57.1622 41.0179 177.7395 101 T 4.2407 8.1491 113.8093 63.7190 68.9366 174.9243 102 G 4.0221 8.1208 109.8174 46.5132 0.0000 172.4014 103 N 5.4138 7.9348 115.1015 51.3481 42.7428 173.1758 104 F 4.8000 7.7756 111.1662 56.2743 41.0719 173.2222 105 S 4.8059 8.1168 112.3698 56.6965 65.7582 173.0077 106 F 4.8257 8.2526 118.9861 56.7647 41.0641 172.5129 107 G 4.2507 8.8945 104.4850 44.4118 0.0000 172.6213 *128 L 4.0512 8.5147 122.3033 55.0913 43.7655 176.4590 129 D 5.0812 8.6551 125.2619 52.4731 44.6850 175.3896 130 V 4.4456 7.7497 120.0092 61.5577 34.6933 174.2068 131 T 4.5493 8.2842 124.3390 61.5515 71.6309 173.5699 132 V 4.6950 7.6473 124.5356 61.1505 34.6646 173.5427 133 N 5.0441 9.1275 127.8305 52.3028 40.2063 173.6975 134 L 5.3136 8.0590 125.5479 53.0925 45.2147 175.7070 135 V 4.1088 7.7048 119.5776 61.3090 33.5579 171.3875 136 R 4.3434 8.0334 117.6784 55.3029 31.0586 176.3936 137 P 4.0756 0.0000 0.0000 65.8492 31.7290 178.6067 138 G 4.0008 7.8889 105.7792 45.7495 0.0000 173.8703 139 Y 4.3111 7.6773 122.0289 59.6488 39.7385 176.9108 140 R 3.8667 8.2371 119.3554 59.4739 29.7301 178.1500 141 V 3.5280 7.8743 117.2836 65.4889 31.2241 176.8733 142 A 4.5771 7.5757 119.3813 51.6132 19.3015 177.5990 143 K 4.2073 7.4594 114.6829 56.0561 33.3120 176.5530 144 R 4.3172 7.5339 116.0203 55.4661 30.8844 176.2842 145 D 4.5272 8.4846 116.7224 56.5214 41.4375 177.7165 146 K 4.0964 7.9066 116.8551 57.1545 32.9222 176.6790 147 A 3.8048 8.6041 124.9436 52.9029 16.2635 177.1973 148 S 4.5885 7.8067 113.3138 59.8253 64.3251 173.8952 149 R 4.6675 8.7032 120.5930 54.9179 33.8961 173.8245 150 S 4.5027 8.5464 119.2999 57.6502 63.3473 173.9065 151 I 3.8387 8.3169 127.9569 60.6297 37.5427 174.3686 152 P 4.4366 0.0000 0.0000 62.5877 31.7404 177.4263 153 T 4.0217 8.6399 111.4302 64.8959 68.8988 176.7414 154 K 3.9807 8.1353 120.4947 59.8482 32.1353 177.3968 155 H 4.5466 7.7574 113.1754 56.6410 29.6880 174.9578 156 R 4.4462 7.2609 115.9688 55.0910 31.1594 176.2711 157 L 4.1257 8.2353 122.5183 55.2041 43.0090 176.2753 158 N 5.1535 7.8285 117.2313 50.2986 43.0366 174.1404 159 P 4.2676 0.0000 0.0000 65.8995 31.3992 178.9841 160 A 3.8208 7.8044 118.7596 55.3640 18.4011 179.2276 161 D 4.3528 8.1529 116.6143 57.2895 40.6875 178.9870 162 A 4.0041 8.0019 121.4149 55.1273 18.4602 179.4458 163 V 3.1314 7.1018 115.9311 66.7126 31.3480 177.3569 164 A 3.9652 7.9571 119.8218 55.0398 17.8313 178.8774 165 F 4.0393 8.1659 118.6581 61.5257 39.9226 177.9588 166 I 3.5979 8.1414 119.1749 64.3051 36.7747 178.0162 167 E 4.1987 8.4447 120.7836 58.4611 29.3336 178.0175 168 S 4.5788 7.9128 111.3283 57.9026 63.7977 175.0598 169 T 4.7351 7.4837 116.7155 62.4815 69.7365 172.9857 170 Y 3.5504 8.7556 119.9065 58.2908 35.5803 169.2049 171 D 4.3890 7.0858 118.2159 53.5294 42.2421 174.4774 172 V 4.6320 8.1663 117.5983 61.1269 35.3453 177.7965 173 E 4.6344 8.7400 128.8824 56.6902 28.8034 177.0317 174 V 3.6937 7.7708 117.5317 61.8632 31.9240 174.9657 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 F 8.17 4.85 0.00 3.36 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 11 H 6.32 3.26 0.00 3.00 2.43 0.00 5.46 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.27 4.28 0.00 1.76 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 2.31 2.22 0.00 13 M 7.52 4.56 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 14 R 7.58 4.61 0.00 1.82 1.86 0.00 3.37 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 15 E 7.71 4.17 0.00 2.24 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 2.47 2.23 0.00 16 P 0.00 4.33 0.00 0.74 1.45 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 17 R 7.95 4.44 0.00 1.74 1.85 0.00 2.73 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 18 I 8.19 4.52 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.97 0.00 0.00 19 E 9.35 4.24 0.00 1.78 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 2.30 2.26 0.00 20 K 7.43 5.22 0.00 1.77 1.81 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.18 7.81 21 V 8.03 4.56 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 0.97 0.00 0.00 0.98 0.00 0.00 22 V 8.40 4.36 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 0.81 0.00 0.00 0.85 0.00 0.00 23 V 8.11 4.44 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 -0.01 0.00 0.00 0.75 0.00 0.00 24 H 8.86 5.28 0.00 3.10 2.98 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.42 4.45 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 26 G 8.30 3.59 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 0.00 0.00 0.00 27 I 8.93 3.85 2.03 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 1.25 0.76 0.90 0.00 0.00 28 G 5.38 4.88 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 29 H 7.39 4.52 0.00 3.13 3.32 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.79 4.38 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 0.00 0.00 0.00 0.00 0.00 36 N 9.45 4.52 0.00 2.88 2.94 0.00 0.00 5.81 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.69 4.42 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 38 E 8.12 3.89 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 39 D 8.24 4.43 0.00 2.68 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 I 7.52 3.89 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 1.73 1.06 0.91 0.00 0.00 41 L 7.99 4.11 0.00 1.69 1.74 0.93 1.14 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 42 G 7.88 3.73 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 0.00 0.00 0.00 43 E 7.62 4.11 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 44 I 7.47 4.16 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.90 1.03 0.00 0.00 45 T 7.93 4.49 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 46 G 7.31 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 47 Q 7.06 4.69 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 48 M 8.35 4.12 0.00 2.01 2.03 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 2.59 2.52 0.00 49 P 0.00 4.95 0.00 2.04 2.05 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 50 V 8.02 4.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 51 R 8.61 4.65 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 T 8.42 4.46 4.37 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 1.19 0.00 0.00 53 K 8.70 5.33 0.00 1.62 1.75 0.00 1.81 0.00 0.00 2.35 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.26 7.81 54 A 7.61 4.65 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 55 K 8.03 4.58 0.00 1.58 1.65 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.44 7.81 56 R 8.84 4.26 0.00 1.99 2.02 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 57 T 8.18 4.35 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 58 V 8.35 4.53 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 1.00 0.00 0.00 0.99 0.00 0.00 59 G 8.81 3.67 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 0.00 0.00 0.00 60 E 8.04 4.20 0.00 2.14 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 2.31 2.33 0.00 61 F 8.10 4.20 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 62 D 8.32 4.80 0.00 2.80 2.49 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 0.00 63 I 7.61 3.95 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 1.03 0.00 0.00 64 R 7.81 4.01 0.00 1.75 2.08 0.00 3.21 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 65 E 8.45 3.73 0.00 2.04 1.83 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 2.37 2.32 0.00 66 G 7.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.33 4.73 0.00 2.64 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 68 P 0.00 4.57 0.00 1.94 2.04 0.00 3.61 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 2.02 2.13 0.00 69 I 8.98 4.59 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.92 0.00 0.00 70 G 7.77 4.33 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 0.00 71 A 8.46 5.94 1.15 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 0.00 0.00 72 K 8.27 5.55 0.00 1.75 1.86 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.23 7.81 73 V 8.02 4.40 1.94 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 0.86 0.00 0.00 0.93 0.00 0.00 74 T 8.53 4.63 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 1.16 0.00 0.00 75 L 8.43 4.63 0.00 1.50 1.64 0.61 0.44 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 76 R 8.13 4.88 0.00 1.63 1.78 0.00 3.30 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 77 D 8.98 4.56 0.00 2.89 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 0.00 0.00 0.00 78 E 9.04 3.97 0.00 2.02 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 2.42 2.43 0.00 79 M 8.24 4.00 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 80 A 7.85 4.05 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 81 E 8.13 3.93 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 82 E 8.21 3.95 0.00 2.02 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 2.36 2.50 0.00 83 F 8.07 4.25 0.00 3.17 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 84 L 8.34 4.09 0.00 1.93 1.74 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.66 4.26 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.03 2.42 0.00 86 T 7.70 4.48 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 87 A 7.72 3.94 1.01 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 88 L 7.95 3.80 0.00 1.75 1.73 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.27 0.00 1.98 2.11 0.00 3.71 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 1.99 2.17 0.00 90 L 7.83 4.24 0.00 1.79 1.75 0.91 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 91 A 7.49 4.67 0.73 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 0.00 0.00 92 E 8.27 4.51 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 2.17 2.26 0.00 93 L 8.33 4.17 0.00 1.80 1.67 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.07 5.61 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 95 T 8.48 4.13 4.28 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 1.22 0.00 0.00 96 S 8.13 4.44 0.00 4.06 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 97 Q 7.94 4.48 0.00 2.57 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 98 F 8.18 5.16 0.00 3.15 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 99 D 9.64 4.71 0.00 2.70 2.81 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 0.00 100 D 8.59 4.47 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.15 4.24 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 1.25 0.00 0.00 102 G 8.12 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 0.00 0.00 0.00 103 N 7.93 5.41 0.00 2.96 2.86 0.00 0.00 6.55 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.78 4.80 0.00 2.61 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.12 4.81 0.00 3.77 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 0.00 106 F 8.25 4.83 0.00 3.04 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 0.00 107 G 8.89 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 *128 L 8.51 4.05 0.00 1.75 1.59 0.94 1.13 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 0.00 129 D 8.66 5.08 0.00 2.54 2.38 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 0.00 130 V 7.75 4.45 1.01 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 0.91 0.00 0.00 0.95 0.00 0.00 131 T 8.28 4.55 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 132 V 7.65 4.70 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 1.10 0.00 0.00 0.81 0.00 0.00 133 N 9.13 5.04 0.00 2.78 2.62 0.00 0.00 6.55 7.07 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 0.00 134 L 8.06 5.31 0.00 1.53 1.52 1.21 1.16 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 0.00 135 V 7.70 4.11 1.58 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 -0.09 0.00 0.00 0.71 0.00 0.00 136 R 8.03 4.34 0.00 1.82 1.97 0.00 2.92 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 137 P 0.00 4.08 0.00 2.10 2.14 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 138 G 7.89 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 0.00 139 Y 7.68 4.31 0.00 3.28 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 0.00 140 R 8.24 3.87 0.00 1.93 1.95 0.00 3.25 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.87 3.53 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 1.03 0.00 0.00 0.98 0.00 0.00 142 A 7.58 4.58 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 0.00 143 K 7.46 4.21 0.00 1.63 1.80 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.97 1.35 7.81 144 R 7.53 4.32 0.00 1.92 1.98 0.00 3.03 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 145 D 8.48 4.53 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.91 4.10 0.00 1.73 1.72 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 147 A 8.60 3.80 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 0.00 148 S 7.81 4.59 0.00 3.83 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 0.00 149 R 8.70 4.67 0.00 1.83 1.71 0.00 3.07 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 150 S 8.55 4.50 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.32 3.84 1.97 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 1.38 1.12 1.04 0.00 0.00 152 P 0.00 4.44 0.00 2.22 2.00 0.00 3.66 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 2.12 2.09 0.00 153 T 8.64 4.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 154 K 8.14 3.98 0.00 1.79 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.51 7.81 155 H 7.76 4.55 0.00 3.15 3.36 0.00 5.94 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 0.00 156 R 7.26 4.45 0.00 2.12 1.86 0.00 3.27 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 157 L 8.24 4.13 0.00 1.51 1.73 0.86 0.95 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 0.00 158 N 7.83 5.15 0.00 3.01 2.66 0.00 0.00 7.19 7.91 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 0.00 159 P 0.00 4.27 0.00 2.13 2.14 0.00 3.60 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 2.14 2.49 0.00 160 A 7.80 3.82 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 0.00 161 D 8.15 4.35 0.00 2.91 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 0.00 162 A 8.00 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.10 3.13 1.93 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 0.78 0.00 0.00 0.06 0.00 0.00 164 A 7.96 3.97 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 0.00 165 F 8.17 4.04 0.00 2.98 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 0.00 166 I 8.14 3.60 1.91 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 1.61 0.93 0.87 0.00 0.00 167 E 8.44 4.20 0.00 1.92 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 2.27 2.22 0.00 168 S 7.91 4.58 0.00 3.87 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 0.00 169 T 7.48 4.74 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 170 Y 8.76 3.55 0.00 2.98 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 0.00 171 D 7.09 4.39 0.00 2.82 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 0.00 172 V 8.17 4.63 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 0.86 0.00 0.00 0.91 0.00 0.00 173 E 8.74 4.63 0.00 2.03 1.46 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 2.39 2.26 0.00 174 V 7.77 3.69 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 0.94 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.