NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3462 0.0000 0.0000 62.5847 32.6280 174.9804 3 V 4.1481 8.1637 117.9451 60.6258 33.3472 173.1228 4 R 4.7196 9.3041 127.3312 54.4051 33.0664 175.0145 5 K 4.8599 8.2032 119.0541 55.0327 36.4547 174.8202 6 A 4.9121 8.3071 123.0712 51.3063 22.4421 174.9529 7 K 4.8277 8.7796 116.9600 55.8361 35.9399 175.8144 8 A 5.0914 8.5084 121.4524 50.4969 22.5513 175.5113 9 V 4.5380 9.1109 121.1766 60.7564 34.5375 174.0942 10 W 5.1564 8.9991 135.0000 55.5713 33.4135 173.9995 11 E 4.5469 8.5340 126.2796 55.7515 32.3258 177.2628 12 G 3.9751 8.9444 111.7340 44.4631 0.0000 172.1931 13 G 4.0107 8.1959 106.8996 44.7902 0.0000 173.8130 14 L 4.0807 8.4918 120.2758 58.3969 42.2637 179.0585 15 R 3.9540 7.8918 116.0300 58.1549 30.2629 177.3720 16 Q 4.4247 8.0686 113.9097 55.5589 29.7649 175.4868 17 G 4.2222 8.2273 105.6659 44.9463 0.0000 172.4799 18 K 3.4769 7.3622 117.6754 55.2932 36.5732 174.9711 19 G 4.0896 7.9990 107.4591 45.3760 0.0000 170.6105 20 V 5.5183 8.4704 117.2700 61.2778 35.4462 172.9964 *22 E 4.9187 8.5346 117.5880 56.6404 30.9204 175.4269 23 L 4.7483 8.6926 123.0501 54.0295 42.6634 176.7938 24 Q 4.2182 8.2856 124.1674 59.1047 28.9809 177.5011 25 S 4.4288 8.2245 112.1787 59.5911 63.8563 173.1074 26 Q 4.4996 7.6278 116.6105 54.7309 31.9293 174.1477 27 A 4.4470 8.3301 120.5742 51.5288 18.2131 177.1262 28 F 4.8820 7.9160 124.8555 56.8969 41.9620 175.0242 29 Q 4.3734 8.3104 124.7057 53.8711 31.0566 175.1506 30 G 3.7857 7.9490 111.9729 43.4139 0.0000 170.4836 31 P 5.1268 0.0000 0.0000 62.7486 33.0425 174.8959 32 Y 5.3007 8.8488 118.6349 56.5653 41.9672 173.3503 33 S 4.8632 8.9593 114.5876 56.7293 66.9227 174.6531 34 Y 4.3252 9.3387 119.8454 60.6551 38.4649 176.0401 35 P 4.5501 0.0000 0.0000 65.7135 31.3073 178.6328 36 S 4.7061 8.0601 112.9338 60.0586 63.1320 175.9294 37 R 3.8918 7.8213 121.7846 58.0775 30.1848 177.2893 38 F 4.6578 7.9937 114.5686 58.1735 40.6263 176.1827 39 E 4.8303 8.3807 119.0163 56.4077 30.3270 176.2889 40 E 4.7126 8.7457 123.9955 56.9651 31.1060 176.1810 41 G 3.8727 7.9652 107.9371 44.9729 0.0000 173.8594 42 E 4.1215 8.3731 119.8834 56.4457 29.9749 176.4760 43 G 4.0804 8.0771 107.9027 43.9644 0.0000 171.5839 44 T 4.9003 8.0336 115.3927 62.0903 69.1700 172.5195 45 N 4.5051 8.1227 114.1476 50.6220 39.5593 173.3006 46 P 4.1197 0.0000 0.0000 65.9471 31.2021 178.8478 47 E 3.9488 8.0545 116.8407 59.2121 29.4043 179.0340 48 E 3.9628 8.6587 118.9899 59.3980 29.5479 179.4006 49 L 3.9632 7.6080 118.5720 57.6897 41.5670 179.5757 50 I 3.6490 7.9379 119.6358 64.2155 37.0299 177.9741 51 A 3.9868 8.3571 121.8256 55.4129 18.1596 179.5490 52 A 3.9157 8.0842 118.6431 55.1950 18.2186 179.6843 53 A 3.9187 7.8264 118.1199 55.6567 18.5660 179.0960 54 H 4.3861 8.3896 115.6039 59.2775 30.2614 176.8988 55 A 4.3518 8.5903 123.2906 55.0059 17.9702 179.9229 56 G 3.6906 7.8148 102.0160 45.3118 0.0000 174.5389 *58 F 4.7226 8.0791 124.9895 58.0559 41.2794 177.2943 59 S 4.0799 8.1115 112.1714 59.5201 62.2869 175.6602 *61 A 4.1558 8.0603 125.7651 52.1568 20.3306 179.5979 62 L 3.6404 7.8757 117.2004 58.0665 41.9462 178.9541 63 A 3.9426 7.7837 120.4122 55.0989 18.3196 179.3469 64 A 3.8903 7.8806 118.6544 55.3690 18.3748 179.5824 65 S 4.0143 8.0951 111.4979 61.5551 62.4673 176.1771 66 L 4.0871 8.0994 121.8334 58.0112 41.4087 179.2122 67 E 4.0343 8.4616 119.1864 59.4225 29.3680 179.0585 68 R 3.9986 8.0089 116.8910 58.5827 30.1451 177.7830 69 E 4.5143 7.7647 116.4432 55.7668 29.8045 176.7922 70 G 3.6319 8.0309 107.2523 45.7592 0.0000 174.5918 71 F 4.9831 7.8910 115.2450 54.5350 39.0791 173.8619 72 P 4.3137 0.0000 0.0000 62.5116 31.9086 175.2651 73 P 4.5538 0.0000 0.0000 62.1292 32.4689 176.1653 74 K 4.1656 8.5404 122.7621 59.4218 32.6984 177.2796 75 R 4.6407 7.7544 119.0377 54.8890 33.7751 173.5157 76 V 4.5742 8.5112 125.6476 61.2694 33.9206 174.3248 77 S 4.7762 9.2212 124.0163 56.8403 64.6662 172.6770 78 T 5.1265 8.6354 123.4776 61.7459 71.3619 172.8766 79 E 4.6869 9.4303 127.3879 54.4611 31.7874 174.1949 80 A 5.2383 8.5976 127.9267 50.1943 21.8582 175.7422 81 R 4.4661 8.9452 120.5466 54.4370 33.3833 174.7673 82 V 4.6333 8.4448 124.7085 61.7111 33.1840 174.4771 83 H 4.7918 9.3621 126.3688 54.4041 30.3892 173.7723 84 L 5.2049 8.5356 125.4159 53.3490 44.0950 175.2212 85 E 4.6808 8.9712 124.6241 54.0890 33.5902 176.4400 86 V 3.9207 8.1848 124.7019 61.6568 30.0852 175.3857 87 V 4.5550 7.1092 113.3528 59.9091 36.0081 175.6286 88 D 4.6189 8.6965 123.3001 54.3691 40.1921 174.7062 89 G 4.3269 9.0469 113.9445 44.5969 0.0000 171.7766 90 K 4.8068 7.3901 116.9719 53.0020 34.9860 174.5826 91 P 4.7304 0.0000 0.0000 63.5786 32.0525 175.8024 92 T 4.6736 9.1328 120.3039 61.8093 73.3462 173.2824 93 L 4.8235 8.6639 126.3349 54.7360 40.8249 176.5792 94 T 4.2454 8.6925 116.0543 63.8485 70.6198 174.9847 95 R 4.8708 7.6555 120.4508 55.1429 33.8564 173.5665 96 I 5.0901 8.7155 126.5177 59.5906 40.6423 174.0747 97 E 5.0492 9.2700 126.6023 54.6445 31.9934 174.7761 98 L 4.9655 8.6818 124.4179 52.8574 44.6180 175.4159 99 L 5.1878 8.9992 123.7865 53.4507 44.6822 175.5246 100 T 5.2656 9.1902 121.3868 61.6918 72.0302 173.3583 101 E 5.3258 9.3018 123.9927 54.5827 33.3083 174.7281 102 A 5.0645 8.8630 125.3477 50.1517 23.1339 174.7427 103 E 4.5634 9.0704 121.7378 54.9772 31.2066 175.7836 104 V 4.4007 7.9111 125.1063 60.0240 34.4292 173.0587 105 P 4.1613 0.0000 0.0000 64.1252 31.5953 176.6727 106 G 4.1792 9.0776 111.8414 45.3431 0.0000 173.4543 107 I 3.4152 6.7154 117.6041 59.8932 38.9211 175.9070 108 S 4.4780 7.8904 120.2986 57.5103 65.5264 175.1929 109 S 4.1352 8.5121 117.7696 61.7036 62.2097 176.4426 110 E 3.9866 8.1171 119.8238 59.2235 29.3567 178.9275 111 K 3.8781 7.7955 120.2865 59.0745 32.2489 178.3153 112 F 4.0649 8.2453 121.0657 61.6574 39.2552 177.2474 113 L 3.7159 8.1469 118.3153 57.3454 41.3366 179.1273 114 E 3.8389 8.1311 119.3620 59.3273 29.6550 178.8264 115 I 3.5943 7.7523 119.6011 64.4226 36.9632 178.2161 116 A 3.8950 7.6036 120.4889 55.1894 17.9587 179.0229 117 E 3.9994 8.1896 117.5845 59.2538 29.4952 178.8730 118 A 4.5514 8.1255 121.1782 54.3280 18.4746 179.0749 119 A 4.1493 7.7744 118.7863 54.5344 18.5551 179.5580 120 K 4.4397 7.7883 116.7904 60.5434 33.0194 177.5590 121 E 4.0221 8.5110 119.0970 58.4800 30.7173 177.3530 122 G 4.2699 7.7254 111.4138 43.8659 0.0000 172.1546 123 C 4.7379 7.3367 116.6968 56.8432 34.1285 173.1132 124 P 4.2375 0.0000 0.0000 65.8975 30.9671 179.2883 125 V 3.5407 7.7006 116.2884 66.2452 31.3751 178.0048 126 S 4.0721 8.0495 112.9826 61.6947 62.7468 176.4149 127 R 4.1324 8.0219 119.6027 58.7395 30.0082 178.5072 128 A 4.1622 8.0844 120.1416 54.2351 18.7785 177.9906 129 L 4.4869 8.0261 117.2343 54.9188 42.9186 179.0602 130 A 4.0261 8.1645 124.0960 55.0168 18.6561 180.0286 131 G 3.7426 8.1394 103.8830 47.8249 0.0000 173.3523 132 V 4.0200 7.5541 120.5756 61.2063 32.1501 175.2529 133 K 4.0434 8.9772 127.6582 59.5045 32.4420 176.4345 134 E 4.7522 7.9222 116.6475 53.5576 33.1647 174.0984 135 V 4.7875 8.4242 121.4531 61.1866 34.0251 174.4736 136 V 4.3234 8.5777 128.0933 60.9616 33.9216 173.6895 137 L 4.9079 8.4401 129.8437 53.7919 43.8344 175.3214 138 T 4.7257 8.9797 122.6178 61.7381 71.3293 172.9367 139 A 5.5155 8.6305 127.2820 50.4319 22.6421 175.0192 140 R 4.7993 9.0376 115.4495 54.8217 33.4161 173.7292 141 L 4.0881 8.3481 123.6611 54.3863 42.9953 176.7570 142 V 4.0426 8.3474 119.3141 61.4355 31.5579 175.6104 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.35 0.00 2.19 2.14 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 V 8.16 4.15 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 0.84 0.00 0.00 0.93 0.00 0.00 4 R 9.30 4.72 0.00 1.81 1.81 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 5 K 8.20 4.86 0.00 1.67 1.66 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 6 A 8.31 4.91 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 7 K 8.78 4.83 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.44 7.81 8 A 8.51 5.09 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 9 V 9.11 4.54 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 0.97 0.00 0.00 0.99 0.00 0.00 10 W 9.00 5.16 0.00 3.47 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 11 E 8.53 4.55 0.00 1.62 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 2.16 2.13 0.00 12 G 8.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.20 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 14 L 8.49 4.08 0.00 1.60 1.69 1.03 0.86 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 15 R 7.89 3.95 0.00 1.70 1.75 0.00 3.00 0.00 0.00 2.94 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.23 0.00 16 Q 8.07 4.42 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 17 G 8.23 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 18 K 7.36 3.48 0.00 1.38 1.47 0.00 1.08 0.00 0.00 1.45 0.00 0.00 2.66 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.91 1.07 7.81 19 G 8.00 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 0.00 0.00 0.00 20 V 8.47 5.52 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 1.37 0.00 0.00 0.88 0.00 0.00 *22 E 8.53 4.92 0.00 2.05 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 2.30 2.22 0.00 23 L 8.69 4.75 0.00 1.79 1.62 0.71 0.91 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 24 Q 8.29 4.22 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 25 S 8.22 4.43 0.00 4.02 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 26 Q 7.63 4.50 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.66 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 27 A 8.33 4.45 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 28 F 7.92 4.88 0.00 3.12 2.88 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 29 Q 8.31 4.37 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.65 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 30 G 7.95 3.79 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 0.00 0.00 0.00 31 P 0.00 5.13 0.00 2.12 2.14 0.00 3.66 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 2.06 1.92 0.00 32 Y 8.85 5.30 0.00 3.17 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 33 S 8.96 4.86 0.00 3.97 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 34 Y 9.34 4.33 0.00 3.54 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 35 P 0.00 4.55 0.00 2.28 2.19 0.00 3.83 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 36 S 8.06 4.71 0.00 4.14 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 37 R 7.82 3.89 0.00 1.69 1.40 0.00 3.09 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 38 F 7.99 4.66 0.00 2.29 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 39 E 8.38 4.83 0.00 2.09 1.72 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 2.27 2.32 0.00 40 E 8.75 4.71 0.00 1.91 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 2.20 2.21 0.00 41 G 7.97 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 0.00 0.00 0.00 42 E 8.37 4.12 0.00 1.98 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 2.32 0.00 43 G 8.08 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 44 T 8.03 4.90 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 1.38 0.00 0.00 45 N 8.12 4.51 0.00 2.96 2.80 0.00 0.00 5.98 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 46 P 0.00 4.12 0.00 2.07 2.04 0.00 3.45 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 47 E 8.05 3.95 0.00 2.17 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 2.34 2.41 0.00 48 E 8.66 3.96 0.00 2.14 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 2.32 2.48 0.00 49 L 7.61 3.96 0.00 1.79 1.66 0.74 0.87 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 50 I 7.94 3.65 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 0.89 0.00 0.00 51 A 8.36 3.99 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 52 A 8.08 3.92 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 53 A 7.83 3.92 1.37 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 54 H 8.39 4.39 0.00 3.26 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.59 4.35 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 56 G 7.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 F 8.08 4.72 0.00 3.18 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 59 S 8.11 4.08 0.00 3.95 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 *61 A 8.06 4.16 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 62 L 7.88 3.64 0.00 0.79 1.29 0.73 1.05 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 63 A 7.78 3.94 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 64 A 7.88 3.89 1.34 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 0.00 0.00 65 S 8.10 4.01 0.00 3.98 3.82 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 0.00 0.00 0.00 66 L 8.10 4.09 0.00 1.94 2.12 1.09 1.21 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 67 E 8.46 4.03 0.00 2.12 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 0.00 2.30 2.35 0.00 68 R 8.01 4.00 0.00 2.01 1.99 0.00 3.20 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 69 E 7.76 4.51 0.00 2.26 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 2.48 2.54 0.00 70 G 8.03 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.89 4.98 0.00 2.99 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 72 P 0.00 4.31 0.00 2.18 2.09 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 73 P 0.00 4.55 0.00 2.22 2.13 0.00 3.79 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 2.00 1.97 0.00 74 K 8.54 4.17 0.00 1.81 2.01 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 75 R 7.75 4.64 0.00 1.88 1.68 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 76 V 8.51 4.57 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 0.88 0.00 0.00 0.96 0.00 0.00 77 S 9.22 4.78 0.00 3.90 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 78 T 8.64 5.13 4.35 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 1.31 0.00 0.00 79 E 9.43 4.69 0.00 1.99 1.79 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 2.21 2.24 0.00 80 A 8.60 5.24 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 81 R 8.95 4.47 0.00 1.74 1.81 0.00 3.18 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 82 V 8.44 4.63 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 0.94 0.00 0.00 83 H 9.36 4.79 0.00 3.17 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.54 5.20 0.00 1.59 1.52 1.00 0.81 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 85 E 8.97 4.68 0.00 1.94 1.79 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 2.25 2.25 0.00 86 V 8.18 3.92 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 0.79 0.00 0.00 0.91 0.00 0.00 87 V 7.11 4.55 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 88 D 8.70 4.62 0.00 2.63 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 89 G 9.05 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 90 K 7.39 4.81 0.00 1.62 1.70 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.39 7.81 91 P 0.00 4.73 0.00 2.22 2.24 0.00 3.73 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 2.04 2.00 0.00 92 T 9.13 4.67 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 93 L 8.66 4.82 0.00 1.53 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.69 4.25 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 1.27 0.00 0.00 95 R 7.66 4.87 0.00 1.79 1.62 0.00 2.98 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 96 I 8.72 5.09 1.89 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 1.26 0.74 0.98 0.00 0.00 97 E 9.27 5.05 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 2.21 2.26 0.00 98 L 8.68 4.97 0.00 1.17 1.18 0.25 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.00 5.19 0.00 1.57 1.56 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 T 9.19 5.27 4.45 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 1.47 0.00 0.00 101 E 9.30 5.33 0.00 1.88 1.79 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 2.23 2.25 0.00 102 A 8.86 5.06 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 0.00 103 E 9.07 4.56 0.00 1.88 1.87 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 2.20 2.20 0.00 104 V 7.91 4.40 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 1.12 0.00 0.00 0.86 0.00 0.00 105 P 0.00 4.16 0.00 2.14 2.02 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 106 G 9.08 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 0.00 0.00 0.00 107 I 6.72 3.42 1.17 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 0.83 0.00 0.00 108 S 7.89 4.48 0.00 4.08 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 0.00 109 S 8.51 4.14 0.00 3.90 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 0.00 110 E 8.12 3.99 0.00 2.20 2.20 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 2.36 2.31 0.00 111 K 7.80 3.88 0.00 1.84 1.87 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.42 7.81 112 F 8.25 4.06 0.00 3.11 3.27 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 0.00 113 L 8.15 3.72 0.00 1.87 1.67 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.13 3.84 0.00 2.10 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 0.00 2.28 2.33 0.00 115 I 7.75 3.59 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.86 0.00 0.00 116 A 7.60 3.89 0.97 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 0.00 117 E 8.19 4.00 0.00 2.17 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 2.28 2.34 0.00 118 A 8.13 4.55 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 0.00 119 A 7.77 4.15 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 0.00 120 K 7.79 4.44 0.00 1.81 1.99 0.00 1.51 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.75 1.45 7.81 121 E 8.51 4.02 0.00 2.15 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 2.57 2.26 0.00 122 G 7.73 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 0.00 0.00 0.00 0.00 123 C 7.34 4.74 0.00 2.97 2.80 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 0.00 124 P 0.00 4.24 0.00 2.15 2.10 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 125 V 7.70 3.54 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 1.00 0.00 0.00 0.93 0.00 0.00 126 S 8.05 4.07 0.00 4.17 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 0.00 127 R 8.02 4.13 0.00 1.88 1.98 0.00 3.17 0.00 0.00 3.43 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 128 A 8.08 4.16 1.37 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 0.00 129 L 8.03 4.49 0.00 1.62 1.62 0.76 0.53 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 0.00 130 A 8.16 4.03 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 0.00 131 G 8.14 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 0.00 0.00 0.00 132 V 7.55 4.02 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 0.90 0.00 0.00 0.95 0.00 0.00 133 K 8.98 4.04 0.00 1.88 1.94 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.52 7.81 134 E 7.92 4.75 0.00 2.01 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 2.14 2.17 0.00 135 V 8.42 4.79 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 0.81 0.00 0.00 0.93 0.00 0.00 136 V 8.58 4.32 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 0.93 0.00 0.00 0.89 0.00 0.00 137 L 8.44 4.91 0.00 1.42 1.41 0.62 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.98 4.73 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 1.22 0.00 0.00 139 A 8.63 5.52 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 0.00 140 R 9.04 4.80 0.00 1.88 2.04 0.00 2.78 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 141 L 8.35 4.09 0.00 1.09 1.39 0.23 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.35 4.04 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 0.66 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.