NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4168 8.3349 115.2890 57.9422 64.2339 174.9183 22 L 4.6900 7.4851 118.3746 53.9318 42.4019 176.8378 23 A 3.9823 8.9091 125.2613 55.4336 19.1573 179.9074 24 D 4.2739 8.2118 116.8167 57.5312 40.9963 178.7538 25 S 4.1757 8.9816 115.9770 61.7814 62.8780 176.9919 26 K 3.9499 8.3085 120.8232 59.5368 31.7227 179.3107 27 A 4.0546 7.9539 121.2053 54.9768 18.2810 180.0963 28 V 3.6734 8.0061 117.8877 64.8781 31.6079 178.6399 29 L 4.2728 8.2679 119.7386 57.7207 41.4692 179.0189 30 N 4.3481 8.3015 117.0506 56.2552 38.7305 176.6711 31 Q 4.2302 8.5302 121.1644 59.4284 29.1929 178.2410 32 A 4.2314 8.7313 122.0353 55.2937 18.4065 179.7535 33 V 3.5476 8.0025 116.3568 66.1076 31.6920 177.9524 34 A 4.2302 8.4838 120.3610 55.5737 18.3286 179.2354 35 D 4.4242 8.5829 117.4594 57.7284 40.9391 179.2371 36 L 4.2176 8.6254 119.7557 57.8031 41.5384 179.7294 37 S 3.8902 7.9652 115.1932 61.5430 62.6404 176.9957 38 V 3.6143 7.8530 120.6843 65.7949 31.2455 177.8171 39 A 4.0347 8.5443 121.0571 55.4522 18.2204 179.0111 40 H 3.9980 8.6835 117.1002 59.4398 29.8388 177.4328 41 S 4.1020 7.8549 114.4638 61.4377 62.1982 176.1176 42 I 3.6552 7.8392 122.4458 64.5163 36.8522 178.4660 43 L 3.9424 8.0510 119.7962 57.9827 41.4488 179.1256 44 H 3.7960 8.1103 118.3182 58.7877 29.5878 177.0263 45 Q 4.1726 8.2048 121.8155 59.1973 29.0153 178.4960 46 V 3.6250 7.9854 119.2424 66.3350 31.3645 177.0573 47 H 4.0591 7.9792 116.6287 59.5210 29.6292 176.5240 48 W 4.7955 8.0182 118.5432 59.4976 29.0652 177.5736 49 Y 4.4375 8.6364 114.8567 57.2231 37.7300 175.2635 50 M 4.4753 7.6916 120.4909 56.1308 32.8453 175.6406 51 R 4.6203 8.9216 123.6294 55.1544 34.6100 173.7412 52 G 4.1738 8.8425 106.5896 42.9840 0.0000 173.1267 53 R 4.2444 8.2035 119.4366 57.5244 30.5621 177.5984 54 G 4.2332 9.3794 110.3517 45.4210 0.0000 175.0074 55 F 4.1198 8.4600 121.9816 62.0735 39.0134 176.9691 56 M 4.2215 8.2800 115.1400 58.0526 32.0928 177.5459 57 I 3.7865 7.5158 119.4956 63.5456 37.8134 177.7976 58 W 4.2050 8.1612 119.5524 59.2902 28.7493 177.8947 59 H 3.9054 8.0817 118.6167 58.8155 29.3835 175.2534 60 P 4.2429 0.0000 0.0000 65.5168 31.1118 178.1448 61 K 3.5648 7.5228 119.5088 59.5209 31.8854 178.5437 62 M 4.0699 8.0846 118.9378 58.4412 31.7155 178.4953 63 D 4.1437 7.6381 118.8486 57.1375 40.9266 178.5328 64 E 3.8770 7.8679 118.5718 59.5681 29.4700 178.7889 65 Y 4.4730 7.8310 116.6339 61.6275 37.9477 178.6078 66 M 4.1340 8.5005 122.2138 59.0903 32.0333 179.2957 67 E 3.9462 8.3655 118.4778 61.0509 29.8746 180.7293 68 E 3.8585 8.1325 120.5273 59.0709 29.6607 178.9069 69 I 3.7793 8.0764 120.2006 64.6836 37.1895 178.2012 70 D 4.4258 8.5655 120.1470 57.1266 40.5584 179.1429 71 G 3.4311 7.8477 106.3734 47.9071 0.0000 175.4405 72 Y 4.2523 7.3338 119.3517 60.5932 37.8129 178.0976 73 L 3.9657 8.1744 121.5207 58.5522 42.1629 178.7222 74 D 4.2984 8.0972 117.7178 57.0947 41.1124 177.8050 75 E 3.9020 8.1622 119.9934 59.5419 29.6673 178.7803 76 M 3.9027 8.3609 119.1830 58.2126 32.0224 178.6320 77 S 4.0923 8.3568 113.6648 61.5754 62.5184 176.1392 78 E 4.0566 8.3123 121.0885 58.9322 29.1754 179.1990 79 R 3.8133 8.1058 119.2482 59.2512 30.0325 178.2788 80 L 3.9438 7.8897 120.1721 58.1385 42.0722 179.0071 81 I 3.8297 7.7376 119.7669 64.8328 36.8441 178.5511 82 T 3.9339 7.8901 115.4325 66.2768 68.2775 175.6955 83 L 4.4462 7.5770 118.4330 54.5462 41.7040 177.5388 84 G 3.8233 8.0974 107.2352 45.5088 0.0000 174.1727 85 G 3.8236 7.8779 109.2264 43.8712 0.0000 173.7852 86 A 4.4415 7.9638 121.2835 49.2610 19.9242 174.0587 87 P 4.4994 0.0000 0.0000 62.8718 32.2855 176.9014 88 F 4.6687 8.3660 120.2748 59.0516 39.3232 176.5217 89 S 4.7748 8.6626 117.3274 57.1844 63.7748 174.9479 90 T 4.4989 6.7753 110.0265 59.7576 72.8859 173.7851 91 L 4.0908 8.2480 122.3607 57.8026 41.6729 179.7288 92 K 3.8528 7.8478 119.0900 59.5723 32.2589 178.4650 93 E 3.6697 7.6563 118.3938 59.2819 29.3022 179.4881 94 F 4.3839 7.6595 117.6754 60.6914 38.8119 177.7527 95 S 4.1268 8.1459 111.6529 61.5530 62.3142 175.7636 96 E 4.0683 8.1196 120.2050 59.0495 29.2696 178.4162 97 N 4.4662 7.6892 115.1287 53.9564 39.2535 175.8958 98 S 4.5020 7.3976 114.7298 58.2914 62.9705 174.0235 99 Q 4.1755 8.6648 124.6928 57.1249 29.0300 176.7310 100 L 3.9146 7.3919 118.4973 54.1344 42.2481 176.2925 101 K 4.5092 8.2343 121.4585 54.6880 34.0537 175.8141 102 E 4.5838 8.4620 122.5023 55.0436 31.2318 175.7939 103 V 4.5093 7.7182 113.5372 58.9498 35.3543 175.8476 104 L 4.0053 8.3469 121.9856 54.6595 42.0726 177.7175 105 G 2.5219 7.9876 110.8680 45.2350 0.0000 172.9566 106 D 4.3917 7.3276 121.7544 52.8286 43.5334 175.4736 107 Y 4.8853 8.6432 123.8780 59.7132 38.1838 176.1746 108 N 4.7672 8.6600 116.5749 53.1039 39.0160 175.5302 109 V 3.8802 7.2183 118.5238 62.7424 32.2699 176.5059 110 T 4.3339 8.6765 117.5369 60.9440 70.9557 175.8622 111 I 3.6385 8.2898 122.1696 64.8699 37.0976 178.0809 112 E 3.8163 8.2381 118.5074 59.9589 29.3106 179.5506 113 E 3.9247 8.2235 118.1008 59.3311 29.5567 179.4927 114 Q 3.9419 8.1670 118.3893 58.9438 28.7601 178.7508 115 L 3.7066 8.0568 120.1290 57.4462 41.5654 179.3019 116 A 3.8966 8.0642 120.9529 55.1296 18.2545 179.9418 117 R 3.7888 7.9117 116.6288 59.3082 30.1121 179.4339 118 V 3.2098 7.4474 117.8290 65.6089 31.4516 177.9861 119 V 3.4474 7.5602 118.0280 66.2029 31.3070 177.6206 120 E 3.9468 8.0864 117.9972 59.6515 29.2630 179.7655 121 V 3.6693 7.8042 117.9526 66.0594 31.6145 178.1378 122 F 4.3589 8.7356 118.0797 60.6109 38.7270 177.8596 123 R 3.9338 8.7056 118.1613 59.3495 29.7946 178.4266 124 Y 3.9897 8.0508 119.2576 60.6930 38.7241 178.1996 125 L 3.3054 8.1524 119.7703 57.4739 41.6479 179.3081 126 A 3.7482 8.2803 120.7442 55.0641 18.2471 179.6001 127 A 3.8185 7.7996 119.2609 54.9278 18.3824 179.6018 128 L 3.6250 7.5279 119.2998 58.3033 42.0544 179.3368 129 F 4.5801 7.9793 117.9422 60.3344 38.6896 177.5620 130 Q 3.9892 8.1924 122.0104 59.5675 28.8309 178.8793 131 K 3.9748 7.9223 124.8835 59.9001 31.7316 181.0522 132 G 2.5974 7.9468 107.6757 46.8510 0.0000 175.4742 133 F 4.0420 8.1959 123.3439 61.2024 39.3508 177.0478 134 D 4.3464 8.4192 118.7568 57.4855 40.6843 178.9769 135 V 3.5527 8.0869 119.4283 65.9268 31.4697 178.2291 136 S 4.3915 7.9977 115.5039 60.6762 62.9387 175.9731 137 D 4.1008 7.7607 121.5460 57.2230 40.7742 178.0006 138 E 3.9638 8.0489 117.7420 59.1410 29.5574 178.3875 139 E 4.4037 8.0162 115.6540 55.6303 29.9164 176.8290 140 G 3.7970 7.6816 107.1712 46.9009 0.0000 175.0574 141 D 4.6225 8.0773 122.1645 52.7167 39.2767 176.3315 142 S 4.0963 8.0236 119.9158 60.3468 63.6560 176.6874 143 V 3.4761 7.6237 121.7490 66.3242 31.5056 177.8809 144 T 3.7458 7.7650 115.6086 66.4799 68.2592 175.8873 145 N 4.4932 8.1788 120.3351 56.1888 38.8725 176.2296 146 D 4.3865 8.0352 119.1291 57.4409 41.3342 178.1515 147 I 3.5403 7.5232 119.8492 64.5622 36.9882 178.4774 148 F 3.9365 7.9801 118.3383 60.1981 38.6468 177.3737 149 N 4.3101 8.4432 116.9012 56.6550 38.5939 177.0920 150 V 3.5250 7.9236 119.3862 65.9146 31.5832 177.8439 151 A 3.3595 7.4092 119.9133 54.7147 18.0301 179.3479 152 K 3.9204 8.2214 118.2321 59.7310 32.3786 178.4381 153 A 3.9809 8.1202 121.0916 55.4953 18.2079 179.6183 154 S 4.0843 7.8208 111.0570 61.3928 62.6049 176.2700 155 I 3.4866 7.9164 122.6360 64.4937 36.8286 178.2784 156 E 4.0368 8.3045 119.3188 59.2439 29.3941 179.2159 157 K 4.2437 8.0718 119.3756 60.0584 32.2330 178.5922 158 H 4.4830 8.2602 116.4997 58.8453 28.5642 177.7778 159 I 3.8173 8.1209 121.7323 64.1078 36.8872 178.0002 160 W 4.4389 8.2896 129.1316 61.1227 30.5443 177.9757 161 M 3.2818 7.7387 117.8723 57.9550 31.3159 178.7891 162 L 4.0118 8.4564 119.5567 57.9810 41.7490 179.6428 163 Q 3.9765 8.5353 118.1601 58.7611 28.5428 178.5278 164 A 4.0408 8.2995 122.1977 55.3009 18.1967 179.2361 165 E 3.9704 8.0357 116.4651 59.3381 29.7930 178.2391 166 L 4.3487 7.6359 115.8654 54.3892 41.6558 177.2574 167 G 3.9423 8.1728 107.0718 46.3829 0.0000 173.6204 168 Q 4.6615 8.1998 116.9584 53.1357 32.2087 175.4140 169 A 4.3974 8.2966 122.2077 51.2999 19.2082 176.2902 170 P 4.3965 0.0000 0.0000 63.9388 31.7622 177.2720 171 K 3.8484 8.0957 115.3391 57.1735 29.5929 174.9578 172 L 4.1785 7.9549 121.8877 55.2162 41.4960 177.6342 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 21 S 8.33 4.42 0.00 3.84 3.95 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 22 L 7.49 4.69 0.00 1.79 1.60 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.91 3.98 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 24 D 8.21 4.27 0.00 2.95 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 25 S 8.98 4.18 0.00 3.99 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 26 K 8.31 3.95 0.00 2.00 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 27 A 7.95 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.01 3.67 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 1.02 0.00 0.00 0.83 0.00 0.00 29 L 8.27 4.27 0.00 1.95 1.79 0.92 0.22 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 30 N 8.30 4.35 0.00 2.84 2.57 0.00 0.00 6.82 7.25 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 31 Q 8.53 4.23 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 32 A 8.73 4.23 1.70 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 33 V 8.00 3.55 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 1.31 0.00 0.00 1.03 0.00 0.00 34 A 8.48 4.23 1.63 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 35 D 8.58 4.42 0.00 2.97 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 36 L 8.63 4.22 0.00 1.79 1.81 1.20 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.97 3.89 0.00 3.46 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.85 3.61 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 0.99 0.00 0.00 1.00 0.00 0.00 39 A 8.54 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.68 4.00 0.00 3.30 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.85 4.10 0.00 3.96 4.07 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 42 I 7.84 3.66 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.86 0.00 0.00 43 L 8.05 3.94 0.00 1.77 1.68 1.11 0.84 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 44 H 8.11 3.80 0.00 2.99 2.73 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.20 4.17 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 46 V 7.99 3.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.03 0.00 0.00 47 H 7.98 4.06 0.00 3.10 3.30 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.02 4.80 0.00 3.70 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 49 Y 8.64 4.44 0.00 3.15 2.92 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 50 M 7.69 4.48 0.00 2.40 2.38 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.03 0.00 51 R 8.92 4.62 0.00 1.89 1.78 0.00 3.30 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 52 G 8.84 4.17 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 0.00 53 R 8.20 4.24 0.00 1.87 1.94 0.00 3.37 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 54 G 9.38 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 0.00 0.00 0.00 55 F 8.46 4.12 0.00 3.38 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 56 M 8.28 4.22 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 57 I 7.52 3.79 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 -0.27 0.00 0.00 58 W 8.16 4.20 0.00 3.39 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.08 3.91 0.00 1.70 2.73 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.24 0.00 2.17 2.22 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 61 K 7.52 3.56 0.00 1.52 1.83 0.00 1.08 0.00 0.00 1.14 0.00 0.00 2.62 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.11 0.56 7.81 62 M 8.08 4.07 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.01 0.00 63 D 7.64 4.14 0.00 2.75 2.60 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 64 E 7.87 3.88 0.00 1.89 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 2.30 2.38 0.00 65 Y 7.83 4.47 0.00 3.19 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 66 M 8.50 4.13 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.29 0.00 67 E 8.37 3.95 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 68 E 8.13 3.86 0.00 2.04 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 1.96 1.99 0.00 69 I 8.08 3.78 2.12 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 1.86 0.89 1.01 0.00 0.00 70 D 8.57 4.43 0.00 2.78 2.68 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 71 G 7.85 3.43 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 0.00 72 Y 7.33 4.25 0.00 3.18 2.82 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 73 L 8.17 3.97 0.00 1.76 1.84 0.88 1.23 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 74 D 8.10 4.30 0.00 2.93 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.16 3.90 0.00 2.23 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 2.23 2.31 0.00 76 M 8.36 3.90 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.99 0.00 77 S 8.36 4.09 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.31 4.06 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 79 R 8.11 3.81 0.00 1.93 1.98 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 80 L 7.89 3.94 0.00 1.79 1.85 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.74 3.83 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.90 0.00 0.00 82 T 7.89 3.93 4.43 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 1.19 0.00 0.00 83 L 7.58 4.45 0.00 1.76 1.67 0.95 0.99 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 84 G 8.10 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 0.00 0.00 0.00 85 G 7.88 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 0.00 0.00 0.00 86 A 7.96 4.44 1.18 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 87 P 0.00 4.50 0.00 2.26 2.06 0.00 3.78 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 2.01 2.00 0.00 88 F 8.37 4.67 0.00 3.35 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 89 S 8.66 4.77 0.00 4.02 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 90 T 6.78 4.50 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 91 L 8.25 4.09 0.00 1.72 1.83 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.85 3.85 0.00 1.76 1.71 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 93 E 7.66 3.67 0.00 1.83 1.60 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 2.26 2.25 0.00 94 F 7.66 4.38 0.00 3.24 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 95 S 8.15 4.13 0.00 3.96 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 96 E 8.12 4.07 0.00 1.93 1.91 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 2.30 2.42 0.00 97 N 7.69 4.47 0.00 2.27 2.69 0.00 0.00 6.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.40 4.50 0.00 4.10 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 99 Q 8.66 4.18 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 100 L 7.39 3.91 0.00 1.52 1.45 0.99 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.23 4.51 0.00 1.65 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.33 7.81 102 E 8.46 4.58 0.00 1.93 1.84 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 2.23 2.29 0.00 103 V 7.72 4.51 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 0.70 0.00 0.00 0.85 0.00 0.00 104 L 8.35 4.01 0.00 1.55 1.51 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.99 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.33 4.39 0.00 2.48 2.37 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 0.00 107 Y 8.64 4.89 0.00 3.15 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 0.00 108 N 8.66 4.77 0.00 2.83 2.89 0.00 0.00 6.91 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.22 3.88 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 0.81 0.00 0.00 0.95 0.00 0.00 110 T 8.68 4.33 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 0.00 111 I 8.29 3.64 1.88 0.00 0.00 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 1.81 1.28 0.82 0.00 0.00 112 E 8.24 3.82 0.00 2.01 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 2.38 2.44 0.00 113 E 8.22 3.92 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 114 Q 8.17 3.94 0.00 2.15 2.09 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 2.60 2.59 0.00 115 L 8.06 3.71 0.00 1.35 1.27 -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.06 3.90 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 0.00 117 R 7.91 3.79 0.00 1.98 1.90 0.00 3.22 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 118 V 7.45 3.21 1.84 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 -0.12 0.00 0.00 0.80 0.00 0.00 119 V 7.56 3.45 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 0.84 0.00 0.00 0.90 0.00 0.00 120 E 8.09 3.95 0.00 2.18 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 2.31 2.46 0.00 121 V 7.80 3.67 2.17 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 1.25 0.00 0.00 0.93 0.00 0.00 122 F 8.74 4.36 0.00 3.19 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 0.00 123 R 8.71 3.93 0.00 2.00 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 124 Y 8.05 3.99 0.00 3.10 3.17 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 0.00 125 L 8.15 3.31 0.00 1.61 0.90 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.28 3.75 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 0.00 127 A 7.80 3.82 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 0.00 128 L 7.53 3.62 0.00 1.00 1.24 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.98 4.58 0.00 3.10 3.18 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 0.00 130 Q 8.19 3.99 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 131 K 7.92 3.97 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.34 7.81 132 G 7.95 2.60 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 0.00 0.00 0.00 133 F 8.20 4.04 0.00 3.25 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 0.00 134 D 8.42 4.35 0.00 2.87 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 0.00 135 V 8.09 3.55 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 1.06 0.00 0.00 0.92 0.00 0.00 136 S 8.00 4.39 0.00 4.29 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 0.00 137 D 7.76 4.10 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.05 3.96 0.00 2.09 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 2.33 2.45 0.00 139 E 8.02 4.40 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 140 G 7.68 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 0.00 141 D 8.08 4.62 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.02 4.10 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.62 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.76 3.75 4.43 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 1.32 0.00 0.00 145 N 8.18 4.49 0.00 2.64 2.87 0.00 0.00 6.41 8.05 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 0.00 146 D 8.04 4.39 0.00 2.85 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 0.00 147 I 7.52 3.54 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.45 0.00 0.00 148 F 7.98 3.94 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.44 4.31 0.00 3.35 3.02 0.00 0.00 6.82 7.87 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 0.00 150 V 7.92 3.52 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 0.99 0.00 0.00 0.93 0.00 0.00 151 A 7.41 3.36 -0.03 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 0.00 152 K 8.22 3.92 0.00 2.08 1.98 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.50 7.81 153 A 8.12 3.98 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 0.00 154 S 7.82 4.08 0.00 3.98 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 0.00 155 I 7.92 3.49 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.91 0.61 0.00 0.00 156 E 8.30 4.04 0.00 2.12 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 2.33 2.40 0.00 157 K 8.07 4.24 0.00 2.07 2.03 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.66 1.99 7.81 158 H 8.26 4.48 0.00 3.48 3.50 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.12 3.82 2.14 0.00 0.00 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 1.57 1.04 0.99 0.00 0.00 160 W 8.29 4.44 0.00 3.44 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.74 3.28 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.13 0.00 162 L 8.46 4.01 0.00 1.84 1.61 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.54 3.98 0.00 2.34 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.74 0.00 164 A 8.30 4.04 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 0.00 165 E 8.04 3.97 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 166 L 7.64 4.35 0.00 1.82 1.65 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.17 3.94 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 0.00 0.00 0.00 168 Q 8.20 4.66 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 169 A 8.30 4.40 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 0.00 170 P 0.00 4.40 0.00 2.12 2.28 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.38 0.00 171 K 8.10 3.85 0.00 1.89 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.46 7.81 172 L 7.95 4.18 0.00 1.63 1.58 0.93 0.94 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