NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5054 8.1633 120.2922 55.1188 34.3833 173.6567 2 K 4.7211 8.8967 121.6656 54.7891 33.8605 175.0785 3 F 5.4948 10.1605 126.4548 55.8571 43.1383 174.7903 4 A 5.1133 9.1252 122.1015 50.6033 21.6313 174.7357 5 L 5.0245 8.6909 121.6867 54.4866 43.8418 175.8349 6 Q 5.0183 9.0325 125.0084 54.3481 31.8289 173.9981 7 I 4.9323 8.4803 127.3421 59.9708 39.4411 175.6459 8 N 5.2632 9.1997 124.2170 53.3802 39.3854 174.7450 9 E 4.8255 8.1091 118.2918 54.0281 32.5910 175.5580 10 G 4.2721 8.5663 108.6888 44.9063 0.0000 171.5194 11 P 4.4711 0.0000 0.0000 63.4705 32.0950 176.4165 12 Y 3.8737 8.1447 121.5020 60.0868 36.9282 171.4328 13 Q 4.1467 8.3905 117.9344 58.7846 29.1706 176.0699 14 H 5.0684 7.3611 110.8762 53.3519 32.3890 174.2508 15 Q 4.1441 9.0399 121.4345 59.1538 28.8494 178.4533 16 A 3.9349 7.7270 120.9070 54.9930 18.9020 178.9105 17 S 4.2555 8.2590 110.3116 61.6681 62.5781 176.2659 18 D 4.3579 8.1478 120.8065 57.5456 40.6654 178.7670 19 S 4.1273 8.1701 115.2339 61.6328 62.8660 176.6813 20 A 2.5800 7.6534 123.3295 54.6765 17.9206 178.8964 21 Y 3.0738 8.2402 118.2689 60.7954 38.7886 178.4137 22 Q 3.6247 8.3556 119.1899 58.7101 28.7858 178.7337 23 F 3.7585 8.5792 121.6301 61.0886 39.4593 176.8133 24 A 3.8687 8.4513 120.5781 55.2252 18.2077 179.3874 25 K 3.4004 7.5406 117.8123 59.5597 31.7210 178.8038 26 A 3.8080 7.6017 120.6520 54.6420 18.2990 179.5764 27 A 3.8216 7.4973 119.4339 55.0262 18.4468 179.8017 28 L 3.7617 8.0777 117.7423 58.0722 41.4172 179.7014 29 E 4.0849 7.8138 116.7130 59.2440 29.4748 178.2696 30 K 4.0896 7.3640 114.6587 56.8456 32.1888 177.8510 31 G 3.9347 8.3729 108.6502 45.1447 0.0000 173.4227 32 H 4.7189 7.5559 116.1388 55.5261 30.1936 174.0728 33 E 4.7316 9.6325 120.6183 54.6921 32.1280 174.7142 34 I 4.5399 8.4658 127.9220 60.0219 37.3246 175.1979 35 F 4.4195 9.5243 131.7754 61.1016 40.1474 175.5688 36 R 4.5221 7.8180 114.7953 55.4158 33.4830 173.5041 37 V 4.4719 8.2906 126.2076 61.3227 33.5449 173.8530 38 F 5.0177 8.9246 131.3419 56.3928 42.0111 173.9031 39 F 5.2468 8.6028 125.4051 56.2136 40.7478 174.3908 40 Y 5.2827 8.7181 124.2619 56.3954 42.7556 175.5055 41 H 3.7400 7.4668 117.3759 56.3570 27.7261 175.6592 42 D 4.4595 8.7866 119.1786 57.7033 41.2285 178.7307 43 G 4.3847 8.3525 106.6583 47.1122 0.0000 175.8652 44 V 3.5875 8.0560 114.1461 63.6605 31.3349 177.3118 45 N 4.5694 7.7595 114.4232 53.9495 38.6510 175.7434 46 N 4.4744 7.7050 117.8165 53.6129 39.1701 175.3745 47 S 2.7900 6.7858 115.1655 57.3392 63.8874 174.0955 48 T 4.3205 7.2325 116.3309 62.1321 67.6294 173.9516 49 R 4.4342 8.8851 123.4759 56.3815 29.9541 176.6684 50 L 4.4400 7.7429 118.4442 55.1128 41.7195 176.8272 51 T 4.3453 7.5631 109.1708 61.7576 70.1919 175.0930 52 T 4.6828 7.8310 117.9399 61.5888 69.3043 172.0881 53 P 4.2566 0.0000 0.0000 61.1662 32.8841 175.1208 54 P 4.2273 0.0000 0.0000 63.2255 31.6836 177.8380 55 Q 4.0440 8.7324 122.0898 58.9793 28.7977 177.1077 56 D 4.5603 8.0109 114.2795 53.9360 39.6636 174.6064 57 D 4.9955 7.6548 118.8096 51.7867 44.5154 175.0345 58 R 4.0600 8.4195 118.0047 56.4869 30.0363 176.6154 59 H 4.6980 8.4101 120.7881 54.2548 29.0999 174.8891 60 I 3.5042 8.5142 126.3424 64.1045 37.2111 177.5459 61 V 3.7375 7.8503 117.8788 66.3538 31.5061 177.6100 62 N 4.3851 8.4199 115.6308 56.2246 38.3213 177.1882 63 R 3.9257 8.1924 119.7243 59.3622 30.1026 178.9450 64 W 4.3613 8.0528 118.0748 59.9377 28.9923 178.5149 65 A 3.9975 8.1678 120.5981 55.0897 17.7861 179.5985 66 E 3.9368 8.7955 117.5204 59.5672 29.6249 179.3394 67 L 4.2007 8.3762 120.3253 58.1873 42.1518 178.8739 68 A 4.1402 8.4846 120.9979 54.9498 18.0559 179.2669 69 E 3.8488 8.2420 117.3512 59.6012 29.8823 178.5672 70 Q 4.0448 8.4552 118.6204 58.4333 29.0961 176.2919 71 Y 4.5207 7.9136 114.5120 56.7458 38.9978 175.8126 72 E 3.8574 8.1770 117.3627 57.4319 26.9032 174.6611 73 L 4.3575 7.9121 117.4891 54.3930 43.8122 178.7081 74 D 4.5818 8.5827 122.3998 53.3883 42.0103 174.3194 75 M 4.7731 8.2580 126.0590 53.8260 33.7793 175.2153 76 V 4.7444 8.7480 124.6104 60.9914 34.7144 174.5249 77 V 4.3542 8.6561 127.2606 60.7335 33.9951 174.1828 78 C 4.2701 8.1625 128.7780 60.4876 32.0088 175.0904 79 V 3.6048 8.9601 126.6464 65.0264 31.0327 178.5612 80 A 3.9963 8.0958 121.1816 54.6404 18.1612 179.2842 81 A 3.9269 8.1389 118.6543 55.1649 18.5255 179.6036 82 A 3.9101 7.9408 119.3271 55.4477 18.2570 179.8848 83 Q 4.0669 8.0706 115.6279 59.0449 28.7887 178.8112 84 R 4.0305 7.6118 119.0910 59.0243 30.2530 178.0233 85 R 4.3842 7.4820 116.0141 56.0444 30.6429 177.0918 86 G 4.1758 8.0799 108.3203 45.3739 0.0000 173.0852 87 I 4.3961 7.6750 120.5083 59.6525 38.3870 175.4821 88 V 4.5254 9.5829 127.2958 61.0772 34.9811 174.0871 89 D 5.3715 8.3974 126.0174 51.0995 42.9688 175.9034 90 E 3.9657 9.1642 117.9228 59.9777 29.2046 178.7212 91 G 3.6602 8.1233 104.6233 48.0517 0.0000 174.8143 92 E 3.9634 8.7595 121.2700 58.8088 29.6081 179.5277 93 A 3.9671 8.3628 120.8620 55.3616 18.2522 179.6826 94 S 4.0468 7.8013 110.0980 61.6461 62.5586 176.2209 95 R 4.1329 8.3077 120.0662 58.4196 30.0418 177.7298 96 N 4.6959 8.4837 114.3228 51.9910 40.1035 174.5310 97 G 3.7340 8.0072 107.4274 46.3675 0.0000 173.6290 98 K 4.5792 7.9325 118.0012 54.5988 34.4935 177.4485 99 D 4.6892 8.6204 120.6406 53.0199 39.3949 175.2140 100 A 4.3139 6.8204 120.2674 52.6370 22.4506 175.7831 101 T 4.7865 8.2906 108.8331 60.3096 71.9094 173.8454 102 N 4.9135 8.8819 116.2459 52.6281 39.2201 174.1361 103 I 4.1982 7.5091 118.8022 60.9337 39.0423 174.5035 104 H 4.5158 9.0587 126.8692 54.6643 30.3514 174.5411 105 P 4.3237 0.0000 0.0000 65.3717 30.9502 177.0832 106 K 4.2656 8.5430 116.4504 57.2595 32.5705 176.2396 107 F 5.0728 8.4383 118.0713 55.4669 41.4309 175.2705 108 R 4.8018 8.8891 117.9475 54.5315 32.6269 174.4869 109 I 4.6765 8.1732 121.2632 61.0463 39.0893 175.2004 110 S 4.5070 8.4061 118.4542 58.2548 66.4204 174.3195 111 G 4.2873 8.5793 107.7101 44.5852 0.0000 174.6219 112 L 4.1658 8.5792 121.4567 57.7462 41.9637 179.4755 113 G 3.6278 8.1582 105.4242 47.8751 0.0000 175.4012 114 Q 4.3861 8.3415 119.9705 58.2095 28.6022 178.5536 115 L 3.2485 7.5704 122.3102 57.7608 42.1567 178.7604 116 V 3.4237 7.4075 117.5960 65.9155 31.3845 177.1085 117 E 3.8940 8.6564 119.0179 59.5925 29.4504 178.8929 118 A 4.2487 7.9198 120.3028 55.1434 18.2400 179.2448 119 A 4.0312 7.6688 118.4706 55.4097 18.3956 179.6855 120 I 3.8243 7.3237 116.8392 64.5615 37.4479 178.3597 121 Q 3.7699 7.7242 117.3824 57.2828 28.6371 176.7562 122 A 4.3204 7.3553 121.8784 51.2409 19.9159 176.8994 123 D 4.5210 8.4966 120.5096 56.4435 41.8527 177.5811 124 R 4.5971 7.6596 116.3562 54.1372 34.4701 174.3133 125 L 4.9448 8.7216 125.6243 53.6387 43.4482 175.2931 126 V 4.0108 8.4511 127.8480 61.2381 33.0435 174.4808 127 V 4.7176 8.0323 128.3948 61.4355 33.0054 174.6197 128 F 4.6999 9.6720 127.5130 55.8415 40.9346 174.3269 129 G 4.0071 8.3536 114.1846 45.3681 0.0000 172.1404 130 D 4.4411 8.6912 121.1303 54.4767 41.2598 176.8827 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.51 0.00 1.45 1.63 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 K 8.90 4.72 0.00 1.71 1.68 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.45 7.81 3 F 10.16 5.49 0.00 3.17 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 4 A 9.13 5.11 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 5 L 8.69 5.02 0.00 1.67 1.67 1.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 9.03 5.02 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 7 I 8.48 4.93 1.52 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 1.03 0.00 0.00 8 N 9.20 5.26 0.00 2.67 2.98 0.00 0.00 6.86 7.27 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 9 E 8.11 4.83 0.00 1.91 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 2.29 2.13 0.00 10 G 8.57 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 11 P 0.00 4.47 0.00 1.83 2.10 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 12 Y 8.14 3.87 0.00 3.18 3.11 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 13 Q 8.39 4.15 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 14 H 7.36 5.07 0.00 3.17 3.20 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 9.04 4.14 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 16 A 7.73 3.93 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 17 S 8.26 4.26 0.00 4.08 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 18 D 8.15 4.36 0.00 2.94 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 19 S 8.17 4.13 0.00 4.15 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 0.00 20 A 7.65 2.58 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.24 3.07 0.00 1.99 2.85 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 22 Q 8.36 3.62 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 23 F 8.58 3.76 0.00 3.22 3.08 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 24 A 8.45 3.87 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 25 K 7.54 3.40 0.00 0.97 1.29 0.00 1.59 0.00 0.00 1.40 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.27 7.81 26 A 7.60 3.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.50 3.82 0.98 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 28 L 8.08 3.76 0.00 0.91 0.47 0.36 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.81 4.08 0.00 2.00 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 2.39 2.35 0.00 30 K 7.36 4.09 0.00 1.98 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 31 G 8.37 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 0.00 0.00 0.00 32 H 7.56 4.72 0.00 3.43 3.63 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.63 4.73 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 2.34 2.36 0.00 34 I 8.47 4.54 1.96 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 1.40 0.79 1.04 0.00 0.00 35 F 9.52 4.42 0.00 3.01 3.34 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 36 R 7.82 4.52 0.00 1.56 1.77 0.00 3.44 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 37 V 8.29 4.47 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 0.18 0.00 0.00 0.96 0.00 0.00 38 F 8.92 5.02 0.00 3.10 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 39 F 8.60 5.25 0.00 2.89 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 40 Y 8.72 5.28 0.00 3.35 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.47 3.74 0.00 3.53 3.08 0.00 5.69 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.79 4.46 0.00 2.72 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.35 4.38 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 0.00 44 V 8.06 3.59 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 0.97 0.00 0.00 0.91 0.00 0.00 45 N 7.76 4.57 0.00 2.81 2.79 0.00 0.00 7.00 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 46 N 7.70 4.47 0.00 2.03 2.53 0.00 0.00 6.83 7.08 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 47 S 6.79 2.79 0.00 2.93 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 48 T 7.23 4.32 4.12 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 1.13 0.00 0.00 49 R 8.89 4.43 0.00 1.91 2.01 0.00 3.08 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 50 L 7.74 4.44 0.00 1.65 1.71 0.90 0.90 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 51 T 7.56 4.35 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 1.23 0.00 0.00 52 T 7.83 4.68 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 1.21 0.00 0.00 53 P 0.00 4.26 0.00 1.98 1.78 0.00 3.69 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 1.60 2.00 0.00 54 P 0.00 4.23 0.00 2.11 1.95 0.00 3.37 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 55 Q 8.73 4.04 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.12 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 56 D 8.01 4.56 0.00 2.78 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 57 D 7.65 5.00 0.00 2.64 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 58 R 8.42 4.06 0.00 1.90 1.91 0.00 3.28 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 59 H 8.41 4.70 0.00 3.21 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.51 3.50 1.58 0.00 0.00 -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 1.11 0.12 0.93 0.00 0.00 61 V 7.85 3.74 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 1.14 0.00 0.00 0.97 0.00 0.00 62 N 8.42 4.39 0.00 2.69 2.82 0.00 0.00 7.03 7.66 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 63 R 8.19 3.93 0.00 1.74 1.04 0.00 2.21 0.00 0.00 2.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 64 W 8.05 4.36 0.00 3.82 3.33 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 65 A 8.17 4.00 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 66 E 8.80 3.94 0.00 2.15 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 2.57 0.00 67 L 8.38 4.20 0.00 2.00 2.04 0.89 0.80 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 68 A 8.48 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.24 3.85 0.00 2.09 2.26 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 2.34 2.37 0.00 70 Q 8.46 4.04 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 1.74 2.19 0.00 71 Y 7.91 4.52 0.00 2.97 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 72 E 8.18 3.86 0.00 2.09 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 2.32 0.00 73 L 7.91 4.36 0.00 1.62 1.64 1.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.58 4.58 0.00 2.68 2.40 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 75 M 8.26 4.77 0.00 1.85 1.55 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 76 V 8.75 4.74 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 0.97 0.00 0.00 0.99 0.00 0.00 77 V 8.66 4.35 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 0.78 0.00 0.00 0.85 0.00 0.00 78 C 8.16 4.27 0.00 3.39 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.96 3.60 2.18 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 0.81 0.00 0.00 0.95 0.00 0.00 80 A 8.10 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.14 3.93 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 82 A 7.94 3.91 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 0.00 0.00 0.00 0.00 0.00 83 Q 8.07 4.07 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 84 R 7.61 4.03 0.00 1.95 1.93 0.00 3.23 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 85 R 7.48 4.38 0.00 1.74 1.93 0.00 3.15 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 86 G 8.08 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 87 I 7.67 4.40 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.94 0.79 0.00 0.00 88 V 9.58 4.53 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 1.12 0.00 0.00 0.91 0.00 0.00 89 D 8.40 5.37 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 90 E 9.16 3.97 0.00 2.09 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 2.39 2.48 0.00 91 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.76 3.96 0.00 2.28 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 2.48 2.49 0.00 93 A 8.36 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 94 S 7.80 4.05 0.00 3.97 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 95 R 8.31 4.13 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 96 N 8.48 4.70 0.00 2.75 2.85 0.00 0.00 7.02 7.36 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 97 G 8.01 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 98 K 7.93 4.58 0.00 1.79 1.70 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.48 7.81 99 D 8.62 4.69 0.00 2.76 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 0.00 100 A 6.82 4.31 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 0.00 101 T 8.29 4.79 4.42 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 1.20 0.00 0.00 102 N 8.88 4.91 0.00 2.78 2.96 0.00 0.00 6.97 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.51 4.20 1.91 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 1.28 0.67 0.91 0.00 0.00 104 H 9.06 4.52 0.00 3.18 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.32 0.00 2.23 2.19 0.00 3.43 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 106 K 8.54 4.27 0.00 1.87 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.43 7.81 107 F 8.44 5.07 0.00 2.76 2.87 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 0.00 108 R 8.89 4.80 0.00 1.84 2.00 0.00 2.76 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 109 I 8.17 4.68 1.87 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 1.20 0.58 0.95 0.00 0.00 110 S 8.41 4.51 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.58 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.58 4.17 0.00 1.79 1.64 0.26 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.16 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 0.00 114 Q 8.34 4.39 0.00 2.54 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 115 L 7.57 3.25 0.00 0.27 1.07 0.54 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.41 3.42 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 0.91 0.00 0.00 0.79 0.00 0.00 117 E 8.66 3.89 0.00 2.31 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 2.35 2.56 0.00 118 A 7.92 4.25 1.57 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 0.00 119 A 7.67 4.03 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 I 7.32 3.82 1.94 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 1.46 0.74 0.84 0.00 0.00 121 Q 7.72 3.77 0.00 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.16 0.00 122 A 7.36 4.32 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 0.00 123 D 8.50 4.52 0.00 2.36 2.58 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 0.00 0.00 0.00 0.00 124 R 7.66 4.60 0.00 1.72 1.95 0.00 3.29 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 125 L 8.72 4.94 0.00 1.60 1.56 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.45 4.01 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 0.04 0.00 0.00 0.77 0.00 0.00 127 V 8.03 4.72 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 0.86 0.00 0.00 0.94 0.00 0.00 128 F 9.67 4.70 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.35 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 0.00 130 D 8.69 4.44 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00