NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7181 8.0232 122.9902 52.5370 20.8915 179.1647 3 S 3.9847 7.9380 111.6628 61.3006 62.5855 175.1941 4 M 4.0492 8.1349 121.2831 58.3438 32.2747 178.2528 5 R 3.9230 7.9385 118.3816 59.4193 30.3260 178.5858 6 V 3.4045 7.8487 118.0356 65.8436 31.4042 178.0016 7 V 3.6366 7.7592 118.0341 66.1543 31.3150 178.1629 8 K 3.9932 7.8503 118.0162 59.4366 31.8904 179.2495 9 E 4.0426 8.4573 118.8958 59.2507 29.3694 178.9133 10 L 3.1921 8.6979 120.6935 58.0315 42.0516 178.5295 11 E 3.8233 8.2167 119.0560 59.5459 29.5221 178.5750 12 D 4.3483 8.0564 118.7361 57.4158 40.7033 178.8463 13 L 4.0041 7.9790 119.4933 57.8023 41.3902 179.5159 14 Q 3.9336 8.0409 117.2819 58.3378 28.6387 178.4274 15 K 4.2325 7.7133 119.3265 57.8564 33.5625 177.6149 16 K 4.5748 7.6599 117.0537 53.7650 32.4235 174.0704 17 P 4.5726 0.0000 0.0000 60.7477 32.8831 175.6641 18 P 4.3213 0.0000 0.0000 61.5119 32.0063 175.6328 19 P 4.2120 0.0000 0.0000 65.7387 31.4800 176.7011 20 Y 4.4726 7.3256 115.3133 56.9803 38.4555 174.0725 21 L 5.1544 7.6898 123.0023 53.5082 44.3065 175.5669 22 R 4.6659 8.6936 124.7334 55.1699 33.3093 174.9563 23 N 4.2812 8.7668 114.0768 53.9768 36.1536 174.5550 24 L 4.3569 7.9601 119.9864 55.5712 42.6747 176.0195 25 S 4.6559 9.2744 120.3754 56.9242 67.2454 172.6133 26 S 5.3148 8.0699 115.1307 56.7960 64.8647 172.3425 27 D 4.5957 8.6935 126.6925 52.2383 42.3220 175.6966 28 D 4.3006 8.3972 122.5177 56.8307 41.7436 177.1003 29 A 4.7468 7.4441 120.7179 50.1757 19.0373 177.6992 30 N 4.7334 7.4123 120.5223 52.3720 40.1035 174.8787 31 V 4.2003 8.1760 117.3898 62.4175 32.0905 177.0828 32 L 4.5022 8.0467 120.0779 54.3347 41.7981 175.5937 33 V 4.7989 7.8736 119.8615 61.0592 34.4815 174.4678 34 W 5.5466 9.3186 127.7669 55.4720 32.3346 174.6070 35 H 5.7083 9.4732 118.3501 53.5135 32.4954 172.5525 36 A 4.8084 8.2954 119.6067 51.2115 22.6671 174.9988 37 L 4.9871 9.0073 120.9879 53.5219 43.7835 175.5853 38 L 4.9422 9.2701 126.5108 54.1723 43.8899 175.3459 39 L 5.1549 9.0415 127.2114 52.2462 42.0755 174.5934 40 P 4.5904 0.0000 0.0000 62.5739 32.2420 177.0833 41 D 4.7541 8.5075 119.3672 55.0167 42.4126 176.8859 42 Q 4.1398 8.1148 121.2302 55.1241 29.2895 173.5442 43 P 4.7754 0.0000 0.0000 62.3062 32.1212 174.4685 44 P 4.7423 0.0000 0.0000 63.1364 31.5947 177.3095 45 Y 4.6165 7.7725 118.7130 61.1421 37.9053 177.8070 46 H 5.2375 8.3771 113.7443 57.4312 28.8696 176.5952 47 L 4.0052 7.6928 119.8239 56.7626 41.5607 176.2729 48 K 4.5185 7.7458 115.6516 54.8107 36.3524 174.3890 49 A 5.0962 8.3852 120.8200 50.4578 22.7810 175.6070 50 F 5.0232 8.8828 116.8890 55.7465 43.1723 174.2088 51 N 5.0277 9.7247 124.0461 53.6212 40.0724 173.6869 52 L 5.0710 9.2052 125.5425 52.8389 45.7038 175.1607 53 R 4.8722 9.0569 122.4473 54.6803 32.7244 174.3696 54 I 4.6090 8.7418 127.8656 59.6148 39.5793 174.6836 55 S 4.9158 8.7240 123.6127 56.5214 65.7055 173.0358 56 F 4.6932 8.5401 123.9191 54.7334 40.3005 174.4318 57 P 4.4692 0.0000 0.0000 61.7095 32.0518 175.5389 58 P 4.2538 0.0000 0.0000 65.7762 31.4616 177.6044 59 E 4.2871 8.1989 116.1454 57.5363 29.9404 175.9793 60 Y 4.4383 8.1018 121.6618 57.7635 39.4775 174.4244 61 P 3.3815 0.0000 0.0000 62.5827 31.3814 177.0304 62 F 4.8639 7.9240 116.7596 58.2461 39.3811 175.9300 63 K 4.6443 7.6046 119.3687 53.4014 35.8066 174.3555 64 P 2.9700 0.0000 0.0000 60.9627 31.8076 174.2692 65 P 4.1276 0.0000 0.0000 63.1593 32.3665 174.9658 66 M 4.5809 8.6487 119.9893 53.5031 34.7696 175.1423 67 I 4.9802 8.1461 123.0681 59.2753 40.4620 174.9045 68 K 4.8785 8.7288 124.9093 54.8924 36.6871 175.5546 69 F 4.7827 9.3708 121.1552 57.9815 39.5396 176.2024 70 T 4.5427 8.9955 112.4757 62.4455 70.5880 174.8557 71 T 4.4915 8.1586 119.1656 62.4834 69.4645 175.1187 72 K 4.2266 8.8288 125.9303 56.6204 32.8069 176.1810 73 I 4.9565 8.1009 121.5773 59.4861 41.1038 174.1113 74 Y 4.1757 8.5785 126.1676 56.3342 38.8212 174.1961 75 H 4.9154 7.8412 125.5886 54.0158 33.0368 172.7502 76 P 4.2256 0.0000 0.0000 65.1183 31.2354 177.1946 77 N 4.9384 8.2678 114.4762 52.5324 38.9165 174.0553 78 V 4.4203 7.3260 117.8052 60.8112 34.1432 175.3120 79 D 4.6557 8.6847 126.9411 52.2910 40.4247 177.0904 80 E 3.9021 8.5275 118.1989 58.8356 29.4202 177.8042 81 N 4.6287 8.5641 115.2534 52.8411 38.8116 175.8919 82 G 4.3535 8.4284 106.8485 46.6845 0.0000 173.8149 83 Q 4.4745 8.0004 118.8498 55.3161 29.5344 175.1131 84 I 4.8609 7.9971 113.3636 59.3899 40.6575 175.2397 85 C 4.4752 8.4332 119.7098 57.7698 28.0619 171.9154 86 L 4.4994 7.8648 125.0840 52.3094 42.4496 174.8677 87 P 4.2656 0.0000 0.0000 65.7538 31.4389 178.7598 88 I 3.7754 7.9461 116.6351 63.1999 37.8841 176.0732 89 I 4.7033 7.7382 111.6084 60.3500 37.8860 176.3894 90 S 4.4060 8.0644 117.2948 58.3877 64.6671 175.1165 91 S 4.2079 8.5671 118.4680 61.7948 62.7367 175.9715 92 E 4.0948 8.2467 121.5893 58.5368 29.5907 177.4523 93 N 4.7667 7.7496 113.9093 52.0324 39.6901 175.2500 94 W 4.3778 7.8054 131.5853 57.1868 31.5464 175.2532 95 K 4.3241 6.8413 123.4981 53.5482 35.1011 175.6429 96 P 4.5373 0.0000 0.0000 64.7636 31.3398 177.3839 97 C 4.1651 7.5275 111.0970 59.6175 30.0006 173.8204 98 T 3.9040 7.0999 118.9071 63.2729 68.6237 174.1200 99 K 4.7861 8.3361 125.2562 55.1221 34.2399 177.7406 100 T 4.1669 9.2807 119.1331 66.8689 68.2838 176.8378 101 C 4.2818 8.3379 116.2731 61.6573 29.7160 175.9541 102 Q 4.0996 8.2138 120.5620 58.4165 28.1579 178.9128 103 V 3.6726 7.7573 119.0024 66.1085 31.6978 178.0091 104 L 4.0792 8.3575 119.0274 57.6434 41.4231 179.0213 105 E 4.2332 8.8102 120.5482 58.8032 29.5885 178.8600 106 A 4.0053 7.9509 120.5871 54.8512 18.4291 179.3718 107 L 3.8684 8.2276 119.4029 58.2136 42.1232 178.5650 108 N 4.0934 8.3005 117.3988 56.6239 38.7344 176.8468 109 V 3.4713 7.5464 119.3978 65.8602 31.4110 177.3999 110 L 3.8596 7.6304 118.5683 58.3917 41.9393 178.9352 111 V 3.4331 7.4745 116.2837 66.0995 31.5682 177.5200 112 N 4.7440 8.2173 115.0630 54.5646 39.2574 175.3253 113 R 4.4979 8.1314 119.5041 52.5258 30.3742 172.7467 114 P 4.1067 0.0000 0.0000 62.8796 32.0408 176.0202 115 N 4.7327 8.3941 120.4865 51.6343 38.9399 174.5302 116 I 4.0832 8.0414 116.7227 61.6450 38.0293 177.4403 117 R 4.1567 8.1154 121.2012 58.3380 30.7306 176.7841 118 E 4.6909 7.5657 114.1982 53.9296 29.5778 173.7296 119 P 4.6542 0.0000 0.0000 62.3932 32.8589 177.4626 120 L 4.1690 8.5033 120.3043 56.2105 42.2762 177.7445 121 R 4.4095 7.4742 116.6435 53.5653 32.1756 175.3707 122 M 4.0442 8.4241 124.8213 58.2943 32.1182 178.2051 123 D 4.4742 7.9977 118.7711 56.4401 39.4998 178.5543 124 L 4.0664 7.7919 119.7205 57.3383 41.8490 178.9840 125 A 3.8069 7.9510 120.7757 55.2213 18.2310 179.3921 126 D 4.2840 8.5778 117.7185 57.3709 40.8846 178.8677 127 L 3.9804 7.9762 120.8147 58.1171 41.9547 178.5477 128 L 3.7874 7.8364 119.2836 58.4552 41.8493 179.0154 129 T 3.9769 7.4313 114.0386 66.6452 68.5847 176.3907 130 Q 4.2786 8.0349 120.2812 58.1705 30.4335 176.3936 131 N 5.0105 8.7904 119.6251 50.1514 40.1349 172.2195 132 P 4.3951 0.0000 0.0000 65.3690 31.4771 178.1435 133 E 3.9128 8.1362 118.4303 59.0679 29.7442 178.2994 134 L 3.9379 8.4582 120.5289 58.0211 42.0397 178.4058 135 F 4.0474 8.6271 121.0294 61.5228 39.3145 176.9235 136 R 3.8903 8.3921 118.1498 59.5221 29.8187 178.5386 137 K 3.8875 7.9625 117.9735 59.4351 32.0657 178.9693 138 N 3.9797 7.9238 116.4024 56.2675 38.3558 177.3456 139 A 3.6874 7.5551 122.2322 54.7568 18.2977 179.2350 140 E 3.7609 8.4371 118.1907 59.4060 29.7553 178.5974 141 E 3.8366 7.9886 119.2454 59.4172 29.6902 178.6459 142 F 4.0913 8.1813 120.5686 61.3138 39.3426 177.4021 143 T 4.1975 8.5074 115.9771 66.8288 68.1367 176.7126 144 L 3.9535 8.0191 119.8737 57.6817 41.6301 179.3456 145 R 3.7091 7.7012 117.9546 58.3634 30.1110 176.9941 146 F 4.7515 7.6563 113.9539 56.9723 40.7914 175.9945 147 G 3.6214 8.1629 108.4291 46.0732 0.0000 173.5583 148 V 4.1044 8.1510 121.5490 61.6211 33.0574 175.1392 149 D 4.5865 8.7301 126.2366 55.1116 41.3814 176.2858 150 R 4.1908 8.4450 123.1458 54.7747 30.8265 174.3418 151 P 4.4381 0.0000 0.0000 62.8812 31.3276 176.1828 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 A 8.02 4.72 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.94 3.98 0.00 3.98 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 4 M 8.13 4.05 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 5 R 7.94 3.92 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 6 V 7.85 3.40 1.88 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 0.58 0.00 0.00 -0.35 0.00 0.00 7 V 7.76 3.64 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 1.06 0.00 0.00 1.02 0.00 0.00 8 K 7.85 3.99 0.00 2.02 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.77 7.81 9 E 8.46 4.04 0.00 2.48 2.39 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 2.48 2.62 0.00 10 L 8.70 3.19 0.00 1.51 1.74 -0.34 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.22 3.82 0.00 2.03 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 2.28 2.32 0.00 12 D 8.06 4.35 0.00 2.92 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 13 L 7.98 4.00 0.00 1.66 1.58 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.04 3.93 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 15 K 7.71 4.23 0.00 1.94 1.84 0.00 1.62 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 16 K 7.66 4.57 0.00 1.66 1.67 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 17 P 0.00 4.57 0.00 2.07 2.03 0.00 3.32 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 18 P 0.00 4.32 0.00 0.72 1.84 0.00 3.52 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 1.37 1.59 0.00 19 P 0.00 4.21 0.00 2.25 2.24 0.00 3.60 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 2.08 1.98 0.00 20 Y 7.33 4.47 0.00 3.28 3.31 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 21 L 7.69 5.15 0.00 1.40 1.43 1.06 0.72 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 22 R 8.69 4.67 0.00 1.83 1.76 0.00 3.49 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 23 N 8.77 4.28 0.00 2.86 2.88 0.00 0.00 6.90 7.85 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 24 L 7.96 4.36 0.00 1.54 1.45 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.27 4.66 0.00 3.84 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 26 S 8.07 5.31 0.00 3.89 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 27 D 8.69 4.60 0.00 3.03 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 28 D 8.40 4.30 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.44 4.75 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 30 N 7.41 4.73 0.00 2.79 2.84 0.00 0.00 7.07 7.71 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 31 V 8.18 4.20 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 1.17 0.00 0.00 0.95 0.00 0.00 32 L 8.05 4.50 0.00 1.85 1.86 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.87 4.80 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 0.90 0.00 0.00 0.92 0.00 0.00 34 W 9.32 5.55 0.00 3.24 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 35 H 9.47 5.71 0.00 3.10 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.30 4.81 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 37 L 9.01 4.99 0.00 1.71 1.66 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.27 4.94 0.00 1.80 1.88 1.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.04 5.15 0.00 1.76 1.73 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.59 0.00 2.46 2.06 0.00 4.23 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 41 D 8.51 4.75 0.00 2.73 2.78 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 42 Q 8.11 4.14 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.08 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 43 P 0.00 4.78 0.00 2.07 1.90 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 44 P 0.00 4.74 0.00 2.11 2.19 0.00 3.00 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.99 0.00 45 Y 7.77 4.62 0.00 3.38 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 46 H 8.38 5.24 0.00 3.36 3.62 0.00 5.15 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.69 4.01 0.00 1.72 1.72 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.75 4.52 0.00 1.38 1.50 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.66 7.81 49 A 8.39 5.10 1.21 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 0.00 0.00 50 F 8.88 5.02 0.00 3.31 3.38 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 51 N 9.72 5.03 0.00 2.83 2.78 0.00 0.00 6.56 6.64 0.00 0.00 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 L 9.21 5.07 0.00 1.47 1.28 0.84 -0.30 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 53 R 9.06 4.87 0.00 1.82 1.71 0.00 3.06 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 54 I 8.74 4.61 1.65 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.19 -0.05 0.00 0.00 55 S 8.72 4.92 0.00 3.46 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 56 F 8.54 4.69 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.47 0.00 2.41 2.12 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 58 P 0.00 4.25 0.00 2.09 2.20 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 59 E 8.20 4.29 0.00 2.16 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 0.00 2.46 2.42 0.00 60 Y 8.10 4.44 0.00 3.08 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 61 P 0.00 3.38 0.00 1.65 1.31 0.00 3.11 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.47 0.00 62 F 7.92 4.86 0.00 3.26 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 63 K 7.60 4.64 0.00 1.67 1.56 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.49 7.81 64 P 0.00 2.97 0.00 1.73 1.37 0.00 3.53 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 65 P 0.00 4.13 0.00 1.35 0.99 0.00 2.61 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 66 M 8.65 4.58 0.00 1.76 1.76 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 67 I 8.15 4.98 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.40 0.71 0.00 0.00 68 K 8.73 4.88 0.00 1.89 1.83 0.00 1.31 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.40 7.81 69 F 9.37 4.78 0.00 2.97 3.29 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 70 T 9.00 4.54 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 1.26 0.00 0.00 71 T 8.16 4.49 4.69 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 1.42 0.00 0.00 72 K 8.83 4.23 0.00 1.60 1.93 0.00 1.26 0.00 0.00 0.72 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.39 7.81 73 I 8.10 4.96 1.44 0.00 0.00 -0.41 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 0.65 0.27 0.00 0.00 74 Y 8.58 4.18 0.00 2.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.84 4.92 0.00 2.95 2.77 0.00 5.93 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 76 P 0.00 4.23 0.00 2.13 2.21 0.00 3.37 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 1.85 1.65 0.00 77 N 8.27 4.94 0.00 2.68 2.79 0.00 0.00 6.61 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.33 4.42 1.74 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 0.56 0.00 0.00 0.35 0.00 0.00 79 D 8.68 4.66 0.00 2.89 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 80 E 8.53 3.90 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 81 N 8.56 4.63 0.00 2.82 2.84 0.00 0.00 7.06 8.27 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 82 G 8.43 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 0.00 0.00 0.00 0.00 83 Q 8.00 4.47 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.74 0.00 0.00 0.00 0.00 0.00 2.56 2.34 0.00 84 I 8.00 4.86 1.90 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 1.43 0.66 1.08 0.00 0.00 85 C 8.43 4.48 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.86 4.50 0.00 1.70 1.55 0.95 0.96 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 87 P 0.00 4.27 0.00 2.23 2.12 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 88 I 7.95 3.78 1.92 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 1.60 0.79 1.00 0.00 0.00 89 I 7.74 4.70 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 1.02 0.00 0.00 90 S 8.06 4.41 0.00 4.11 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 91 S 8.57 4.21 0.00 4.08 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 92 E 8.25 4.09 0.00 2.01 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 0.00 2.32 2.43 0.00 93 N 7.75 4.77 0.00 2.94 2.88 0.00 0.00 6.99 7.56 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 94 W 7.81 4.38 0.00 3.50 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 6.84 4.32 0.00 1.40 1.36 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 96 P 0.00 4.54 0.00 1.87 1.68 0.00 3.58 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 97 C 7.53 4.17 0.00 2.97 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 98 T 7.10 3.90 3.13 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 1.25 0.00 0.00 99 K 8.34 4.79 0.00 1.86 1.84 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.43 7.81 100 T 9.28 4.17 4.66 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 1.36 0.00 0.00 101 C 8.34 4.28 0.00 3.25 3.31 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 0.00 102 Q 8.21 4.10 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 103 V 7.76 3.67 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 1.18 0.00 0.00 1.20 0.00 0.00 104 L 8.36 4.08 0.00 1.92 1.94 1.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.81 4.23 0.00 2.30 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 2.33 2.25 0.00 106 A 7.95 4.01 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 0.00 107 L 8.23 3.87 0.00 1.73 1.87 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.30 4.09 0.00 2.16 2.41 0.00 0.00 6.88 7.30 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 0.00 109 V 7.55 3.47 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 0.91 0.00 0.00 0.92 0.00 0.00 110 L 7.63 3.86 0.00 1.74 1.87 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.47 3.43 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 0.55 0.00 0.00 0.97 0.00 0.00 112 N 8.22 4.74 0.00 2.79 2.88 0.00 0.00 6.88 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 0.00 113 R 8.13 4.50 0.00 1.80 1.83 0.00 3.37 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 114 P 0.00 4.11 0.00 1.89 1.81 0.00 3.61 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 1.96 1.90 0.00 115 N 8.39 4.73 0.00 2.73 2.65 0.00 0.00 6.93 7.82 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 0.00 116 I 8.04 4.08 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.77 0.00 0.00 117 R 8.12 4.16 0.00 2.14 2.00 0.00 3.08 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 118 E 7.57 4.69 0.00 1.92 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 2.21 2.18 0.00 119 P 0.00 4.65 0.00 2.10 1.97 0.00 3.46 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 1.94 2.13 0.00 120 L 8.50 4.17 0.00 1.67 1.71 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.47 4.41 0.00 1.66 1.87 0.00 3.08 0.00 0.00 3.30 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 122 M 8.42 4.04 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 123 D 8.00 4.47 0.00 2.87 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 0.00 124 L 7.79 4.07 0.00 1.81 1.75 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.95 3.81 1.29 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 0.00 126 D 8.58 4.28 0.00 2.84 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 0.00 127 L 7.98 3.98 0.00 1.98 2.05 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.84 3.79 0.00 0.39 1.41 0.55 0.86 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 0.00 129 T 7.43 3.98 4.34 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 1.18 0.00 0.00 130 Q 8.03 4.28 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 131 N 8.79 5.01 0.00 2.69 2.67 0.00 0.00 6.99 7.69 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 0.00 132 P 0.00 4.40 0.00 2.33 2.39 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 133 E 8.14 3.91 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 134 L 8.46 3.94 0.00 1.90 1.86 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.63 4.05 0.00 3.26 3.31 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 0.00 136 R 8.39 3.89 0.00 2.17 2.10 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 137 K 7.96 3.89 0.00 1.94 1.78 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.68 7.81 138 N 7.92 3.98 0.00 2.53 1.96 0.00 0.00 6.95 7.17 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 0.00 139 A 7.56 3.69 1.05 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 0.00 0.00 140 E 8.44 3.76 0.00 1.97 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 2.26 2.28 0.00 141 E 7.99 3.84 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 2.25 2.25 0.00 142 F 8.18 4.09 0.00 3.14 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 0.00 143 T 8.51 4.20 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 144 L 8.02 3.95 0.00 1.51 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.70 3.71 0.00 1.55 1.17 0.00 2.78 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.18 0.00 146 F 7.66 4.75 0.00 2.93 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 0.00 147 G 8.16 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.15 4.10 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 0.93 0.00 0.00 149 D 8.73 4.59 0.00 2.57 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 0.00 150 R 8.45 4.19 0.00 1.84 1.83 0.00 3.34 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 151 P 0.00 4.44 0.00 2.09 1.95 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00