NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3133 8.3044 120.3257 55.7070 32.6244 174.7942 2 H 4.1611 8.0344 117.8113 55.1533 29.2064 171.9610 3 L 4.6421 7.7836 126.2039 52.7720 44.6357 177.1738 4 T 4.1852 8.2180 113.7931 60.5482 71.1735 174.0545 5 P 4.1675 0.0000 0.0000 66.1905 31.4773 178.8963 6 E 4.0295 8.0812 116.5578 59.1300 29.3017 179.1746 7 E 3.9028 7.9107 118.4921 59.2548 29.5930 179.1656 8 K 3.7991 8.2153 119.8982 59.4004 32.0760 178.8501 9 S 4.0649 8.1562 113.3887 61.1849 62.3860 175.9356 10 A 3.9830 7.8857 123.3782 55.0278 18.1124 179.8354 11 V 3.3735 7.9279 116.8285 66.5008 31.7678 178.3453 12 T 3.9691 7.9567 115.2175 66.5954 68.0476 176.1868 13 A 4.0061 8.1125 121.8079 55.2840 18.6673 178.9297 14 L 3.8862 7.8931 117.8341 58.1961 42.2089 179.1603 15 W 4.2813 8.7149 128.2189 60.2850 30.4240 177.8992 16 G 3.8396 8.1481 104.3242 46.5650 0.0000 174.0543 17 K 4.4198 7.8945 118.8410 56.1940 32.9889 176.6980 18 V 3.6059 7.2755 120.0978 62.1631 32.0093 175.8513 19 N 4.5363 8.2676 125.3590 52.4441 38.7588 175.6868 20 V 3.5095 8.0769 122.5425 64.2343 31.7993 177.8892 21 D 4.3449 8.1191 118.1525 57.4945 40.7521 178.3851 22 E 3.8582 8.2343 119.2353 59.4037 29.6450 179.0983 23 V 3.5791 7.9635 118.5043 65.5138 31.4719 178.2821 24 G 3.6638 8.4468 106.2700 47.7647 0.0000 175.9078 25 G 3.6354 7.9534 108.5333 47.3740 0.0000 175.6795 26 E 3.9117 8.1790 120.6680 59.0333 29.5442 179.2661 27 A 3.9137 8.0624 120.8632 55.1161 18.6290 179.4522 28 L 3.9847 7.9008 118.9977 58.0670 42.1705 179.2918 29 G 3.5730 8.0380 105.6123 48.0896 0.0000 175.7397 30 R 3.8894 8.2530 121.6701 58.6134 30.0187 178.8592 31 L 4.0094 7.9976 120.0218 58.3615 41.9005 179.1837 32 L 4.0296 7.8155 118.2731 57.2529 41.2617 179.7119 33 V 3.5653 7.4530 117.7858 65.9035 31.6699 178.0252 34 V 3.4952 7.8494 116.9997 64.4050 32.8186 175.7082 35 Y 4.0148 7.3370 115.3843 54.7014 37.7570 175.6658 36 A 4.2496 8.0947 126.1573 54.1717 18.8779 179.2262 37 W 4.3449 8.0921 114.5984 59.3934 28.2957 177.8047 38 T 4.2916 7.7886 110.2138 63.3108 68.1763 175.7785 39 Q 4.3250 8.2507 121.7918 57.8662 28.5900 177.8069 40 R 3.7454 7.5432 116.7469 58.6800 29.2145 177.7729 41 F 4.3781 6.9662 115.6083 57.3373 39.6973 175.5831 42 F 4.5909 8.0029 118.8930 56.7627 39.7763 176.9184 43 E 4.1181 8.3362 120.2774 58.8174 29.7488 177.7033 44 S 4.4452 8.0056 112.5054 59.7164 63.4940 174.6094 45 F 4.6507 8.3222 119.4724 58.1873 39.8565 176.8568 46 G 3.9685 8.0802 106.9137 44.6443 0.0000 174.2538 47 D 4.4826 8.6168 125.3849 54.4966 41.1399 175.8279 48 L 4.9135 8.3434 127.1697 54.5453 43.0280 178.0300 49 S 4.3529 8.3474 116.2589 60.2321 63.6902 174.4251 50 T 4.7296 7.4305 109.9968 58.1422 72.9465 172.6774 51 P 4.1963 0.0000 0.0000 66.2145 31.3400 178.6492 52 D 4.3119 8.1209 116.5617 57.3084 40.5000 178.6105 53 A 3.9988 7.6240 120.1300 54.9661 18.5015 179.7218 54 V 3.6808 7.8567 116.6738 66.6005 31.5311 178.3556 55 M 4.1669 8.2278 117.3843 57.6395 31.8748 178.0695 56 G 4.0006 7.7556 103.1652 43.4295 0.0000 173.3160 57 N 4.3381 7.4903 121.4242 53.1585 39.4058 173.8795 58 P 4.2369 0.0000 0.0000 65.4445 31.4042 178.8277 59 K 3.6822 8.2433 117.6693 58.9460 31.7212 179.6151 60 V 3.6368 7.7038 118.2159 65.8586 31.5749 178.0539 61 K 3.9073 8.1504 118.0890 59.4917 31.7707 179.2495 62 A 3.9936 8.0972 121.0909 55.3308 18.1816 179.2253 63 H 4.3923 8.5000 117.0800 59.2422 29.9738 177.5784 64 G 3.6673 8.4787 108.0970 47.8716 0.0000 175.5265 65 K 4.0102 8.0735 121.9361 58.9695 32.2804 178.9514 66 K 4.0101 7.8372 120.0274 59.3222 32.1686 179.0170 67 V 3.6482 8.0440 118.8543 66.2288 31.4527 178.0774 68 L 4.3899 8.2982 118.6610 57.3048 41.4501 179.6844 69 G 3.7110 8.4239 105.9228 47.8602 0.0000 175.6442 70 A 4.1201 8.1202 123.3380 54.7169 18.1640 179.4642 71 F 4.2546 8.2443 118.4059 61.6681 39.7266 177.2063 72 S 4.1167 8.7133 114.9177 61.7777 62.8056 176.2917 73 D 4.4591 8.2622 121.6704 57.4955 40.5586 179.2564 74 G 3.5147 7.9330 106.0342 47.5660 0.0000 175.4102 75 L 3.8830 7.5261 119.4074 56.2070 41.6619 178.1618 76 A 4.3470 7.3870 119.1272 52.4365 19.7864 176.5161 77 H 4.8739 7.9862 115.1090 54.6731 29.8129 175.5315 78 L 3.8778 8.0104 120.0794 57.6593 41.8213 178.4858 79 D 4.5818 7.8889 115.7733 55.0212 42.0033 176.0286 80 N 5.0098 8.1052 118.1168 51.4767 39.4318 174.8455 81 L 4.0612 7.8010 122.7897 57.7605 42.1531 179.4105 82 K 4.0003 8.0001 117.1986 59.4311 32.4416 179.1776 83 G 3.7011 8.0661 105.5389 48.0813 0.0000 175.7348 84 T 3.6883 7.5340 117.2163 65.7725 68.6897 175.6834 85 F 4.7525 7.8726 116.7692 57.0610 39.2688 177.4455 86 A 4.0996 7.7453 122.9087 55.7197 18.2523 180.5023 87 T 3.8859 7.8862 107.6736 64.9306 68.7816 176.5338 88 L 4.0962 7.9563 121.4119 57.4091 41.7331 178.9944 89 S 4.3705 8.5318 114.8914 60.9312 62.2907 175.9026 90 E 3.8421 8.2009 121.0474 59.4165 29.2749 179.1446 91 L 3.8978 7.9794 119.9638 58.7383 42.1426 178.8434 92 H 4.1821 8.5634 116.1720 58.8458 28.6218 177.3107 93 C 3.4547 7.6770 120.6416 62.3161 31.1541 175.3240 94 D 4.3467 8.1387 119.9774 56.1056 40.6176 177.5807 95 K 4.2324 7.7424 117.3141 57.6411 33.2746 177.5202 96 L 4.2056 7.6573 115.8007 54.5987 42.5769 175.9398 97 H 4.1217 7.1347 114.1112 56.6227 26.5495 175.4495 98 V 3.7364 7.8639 118.6023 61.0349 32.1991 174.7762 99 D 4.3407 8.8111 127.3379 54.0302 41.4590 175.1261 100 P 3.3512 0.0000 0.0000 65.1431 31.1675 177.8766 101 E 3.8382 8.2087 118.2570 59.3173 29.3097 178.5665 102 N 4.2902 7.9890 116.5593 56.2012 38.4671 177.2720 103 F 4.4730 7.5956 119.3530 60.4275 38.9157 178.0209 104 R 4.0058 7.8212 117.5272 59.0238 30.0248 178.7443 105 L 3.8197 7.8150 118.8498 57.7338 41.5860 179.3104 106 L 4.1050 8.1874 120.4127 58.0063 41.9684 179.1698 107 G 3.6945 8.1570 105.7143 48.0919 0.0000 175.4786 108 N 4.4821 8.2145 119.1957 55.8404 38.4447 177.7996 109 V 3.6406 8.0033 119.8402 65.8463 31.5571 177.7862 110 L 3.8600 8.3683 120.6047 58.0609 41.8857 179.1341 111 V 3.5820 7.8666 118.1680 66.2953 31.4364 177.7649 112 C 4.1232 8.1291 116.4360 62.8499 27.9514 176.3359 113 V 3.5386 8.0151 120.0371 65.9201 30.9928 178.1241 114 L 3.7974 7.9415 118.7322 57.4869 41.3571 179.3290 115 A 3.6342 7.3854 120.6973 55.2368 18.0874 179.1724 116 H 4.1182 8.1572 115.9892 59.7520 30.0070 176.9765 117 H 3.9519 7.9369 116.9173 58.2429 28.6534 177.0603 118 F 4.6819 8.2222 117.3595 56.6582 39.9676 178.1419 119 G 3.7586 8.7182 108.3952 45.8412 0.0000 175.8220 120 K 3.8538 9.2214 121.0737 59.9136 31.9563 177.7425 121 E 4.0117 8.3882 118.5514 58.1672 29.7369 176.9816 122 F 4.6741 8.0687 122.6284 57.0663 37.8288 175.4607 123 T 4.2125 7.4467 115.9024 59.9474 71.3611 173.4984 124 P 4.1571 0.0000 0.0000 65.6518 31.2110 177.1359 125 P 4.2338 0.0000 0.0000 65.5242 31.2087 178.8947 126 V 3.5537 7.5075 117.0563 65.7905 31.3677 177.8756 127 Q 3.5393 7.9339 119.5346 58.9929 28.7268 178.0439 128 A 4.0302 8.0354 121.5364 55.0949 18.3586 179.5744 129 A 3.8842 7.7760 119.3514 55.5978 18.5200 179.4717 130 Y 3.8919 8.0137 115.2679 61.2508 37.9280 178.9769 131 Q 4.1721 8.7169 119.5165 58.9271 28.7488 178.9612 132 K 3.9838 7.8842 119.6530 59.3408 32.0028 179.6140 133 V 3.4956 7.7128 118.4173 66.1879 31.4259 178.5731 134 V 3.8112 8.5054 112.3499 64.3472 31.2571 178.5044 135 A 4.1082 8.1939 120.8407 54.9455 18.2126 179.8823 136 G 3.5144 8.3124 104.4958 48.0132 0.0000 176.1400 137 V 3.3697 8.0194 120.9115 65.4012 31.3658 177.9476 138 A 3.9010 8.1930 120.7376 55.2834 18.0115 179.4131 139 N 4.2944 8.2608 114.0411 56.3129 39.0095 177.2582 140 A 4.1471 8.0957 122.3008 55.1440 18.1437 179.6876 141 L 3.8793 7.9478 116.9847 56.9244 41.6588 178.5880 142 A 4.4301 7.6485 119.8773 53.0242 18.8736 178.6455 143 H 4.3953 8.0345 113.0965 57.7661 28.7147 176.2897 144 K 4.3810 7.8958 119.2234 56.2421 32.1387 176.3041 145 Y 4.2017 7.9344 117.5129 58.2781 38.4739 175.5276 146 H 4.4716 8.2674 117.5310 56.1530 28.3461 173.2558 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 8.30 4.31 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 2 H 8.03 4.16 0.00 3.17 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.78 4.64 0.00 1.55 1.47 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.22 4.19 4.21 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 1.20 0.00 0.00 5 P 0.00 4.17 0.00 2.15 2.12 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 6 E 8.08 4.03 0.00 1.95 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 0.00 2.38 2.33 0.00 7 E 7.91 3.90 0.00 2.14 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 2.28 2.27 0.00 8 K 8.22 3.80 0.00 1.73 1.90 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 S 8.16 4.06 0.00 4.03 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 10 A 7.89 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.93 3.37 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 0.64 0.00 0.00 0.35 0.00 0.00 12 T 7.96 3.97 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 1.26 0.00 0.00 13 A 8.11 4.01 1.40 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 0.00 0.00 14 L 7.89 3.89 0.00 1.84 2.11 -0.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.71 4.28 0.00 3.87 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 16 G 8.15 3.84 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 0.00 0.00 0.00 17 K 7.89 4.42 0.00 1.99 2.04 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.37 7.81 18 V 7.28 3.61 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 0.03 0.00 0.00 0.62 0.00 0.00 19 N 8.27 4.54 0.00 2.71 2.76 0.00 0.00 7.22 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 20 V 8.08 3.51 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 0.83 0.00 0.00 0.99 0.00 0.00 21 D 8.12 4.34 0.00 2.93 2.70 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 22 E 8.23 3.86 0.00 2.02 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 2.21 2.28 0.00 23 V 7.96 3.58 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 0.85 0.00 0.00 0.60 0.00 0.00 24 G 8.45 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 25 G 7.95 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.18 3.91 0.00 2.11 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 2.48 0.00 27 A 8.06 3.91 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 28 L 7.90 3.98 0.00 1.77 1.63 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.04 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.25 3.89 0.00 1.89 1.94 0.00 3.08 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 31 L 8.00 4.01 0.00 1.80 1.87 1.00 0.54 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 32 L 7.82 4.03 0.00 1.87 1.69 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.45 3.57 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 0.71 0.00 0.00 0.90 0.00 0.00 34 V 7.85 3.50 1.56 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 -0.17 0.00 0.00 0.78 0.00 0.00 35 Y 7.34 4.01 0.00 2.63 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 36 A 8.09 4.25 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 37 W 8.09 4.34 0.00 3.54 3.48 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 38 T 7.79 4.29 4.40 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 1.03 0.00 0.00 39 Q 8.25 4.32 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 40 R 7.54 3.75 0.00 1.63 1.87 0.00 2.87 0.00 0.00 2.58 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 41 F 6.97 4.38 0.00 2.07 2.32 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 42 F 8.00 4.59 0.00 2.84 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 0.00 0.00 0.00 43 E 8.34 4.12 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 44 S 8.01 4.45 0.00 4.15 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 0.00 45 F 8.32 4.65 0.00 3.17 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 0.00 46 G 8.08 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 0.00 0.00 0.00 47 D 8.62 4.48 0.00 2.65 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 48 L 8.34 4.91 0.00 1.66 1.63 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.35 4.35 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.43 4.73 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 51 P 0.00 4.20 0.00 2.15 2.12 0.00 3.58 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 2.09 2.16 0.00 52 D 8.12 4.31 0.00 2.67 2.70 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 53 A 7.62 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 54 V 7.86 3.68 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 1.02 0.00 0.00 0.99 0.00 0.00 55 M 8.23 4.17 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.82 0.00 56 G 7.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.49 4.34 0.00 2.97 2.84 0.00 0.00 7.11 7.89 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 58 P 0.00 4.24 0.00 2.12 2.03 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 59 K 8.24 3.68 0.00 1.50 0.74 0.00 1.53 0.00 0.00 1.28 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 1.23 7.81 60 V 7.70 3.64 2.29 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 1.12 0.00 0.00 1.01 0.00 0.00 61 K 8.15 3.91 0.00 1.95 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.58 7.81 62 A 8.10 3.99 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 63 H 8.50 4.39 0.00 3.53 3.47 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.48 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.07 4.01 0.00 1.86 1.99 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.60 7.81 66 K 7.84 4.01 0.00 1.98 2.02 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.52 7.81 67 V 8.04 3.65 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 1.02 0.00 0.00 0.89 0.00 0.00 68 L 8.30 4.39 0.00 2.02 1.86 1.02 0.76 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 69 G 8.42 3.71 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 0.00 0.00 0.00 70 A 8.12 4.12 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 71 F 8.24 4.25 0.00 3.11 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 72 S 8.71 4.12 0.00 4.12 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 0.00 73 D 8.26 4.46 0.00 2.93 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.93 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.88 0.00 1.40 1.41 -0.43 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.39 4.35 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 77 H 7.99 4.87 0.00 3.09 3.13 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.01 3.88 0.00 1.54 1.65 0.78 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 79 D 7.89 4.58 0.00 2.63 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 80 N 8.11 5.01 0.00 2.70 2.60 0.00 0.00 7.12 6.72 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 81 L 7.80 4.06 0.00 1.74 1.80 0.87 0.82 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 82 K 8.00 4.00 0.00 1.63 1.60 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.44 7.81 83 G 8.07 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 0.00 0.00 0.00 84 T 7.53 3.69 4.05 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 0.56 0.00 0.00 85 F 7.87 4.75 0.00 3.18 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 86 A 7.75 4.10 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 87 T 7.89 3.89 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 88 L 7.96 4.10 0.00 2.02 1.89 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.53 4.37 0.00 4.01 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 0.00 90 E 8.20 3.84 0.00 2.26 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 2.32 2.45 0.00 91 L 7.98 3.90 0.00 1.86 1.86 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.56 4.18 0.00 3.50 3.74 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.68 3.45 0.00 1.23 2.44 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 94 D 8.14 4.35 0.00 2.61 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 95 K 7.74 4.23 0.00 1.85 1.78 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 96 L 7.66 4.21 0.00 1.68 1.61 0.70 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.13 4.12 0.00 3.52 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.86 3.74 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 0.07 0.00 0.00 0.51 0.00 0.00 99 D 8.81 4.34 0.00 2.79 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 0.00 100 P 0.00 3.35 0.00 1.94 1.87 0.00 3.42 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.00 101 E 8.21 3.84 0.00 2.04 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 2.32 2.40 0.00 102 N 7.99 4.29 0.00 2.47 2.70 0.00 0.00 6.89 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 0.00 103 F 7.60 4.47 0.00 3.07 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 0.00 104 R 7.82 4.01 0.00 1.96 1.98 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 105 L 7.82 3.82 0.00 1.72 1.42 0.65 -0.06 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 0.00 106 L 8.19 4.10 0.00 1.81 1.73 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.16 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 0.00 108 N 8.21 4.48 0.00 2.82 2.95 0.00 0.00 6.71 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 0.00 109 V 8.00 3.64 2.25 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 1.14 0.00 0.00 1.12 0.00 0.00 110 L 8.37 3.86 0.00 1.73 1.79 0.86 0.35 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 0.00 111 V 7.87 3.58 2.34 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 1.35 0.00 0.00 1.19 0.00 0.00 112 C 8.13 4.12 0.00 3.14 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 0.00 113 V 8.02 3.54 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 0.88 0.00 0.00 0.93 0.00 0.00 114 L 7.94 3.80 0.00 1.11 1.13 0.56 0.97 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 0.00 115 A 7.39 3.63 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 0.00 116 H 8.16 4.12 0.00 3.17 3.46 0.00 5.77 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 0.00 117 H 7.94 3.95 0.00 2.60 2.53 0.00 5.70 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 0.00 118 F 8.22 4.68 0.00 3.17 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 0.00 119 G 8.72 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 0.00 0.00 0.00 120 K 9.22 3.85 0.00 1.92 2.04 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.45 7.81 121 E 8.39 4.01 0.00 2.15 2.16 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 2.30 2.35 0.00 122 F 8.07 4.67 0.00 3.03 3.16 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 0.00 123 T 7.45 4.21 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 1.31 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.15 0.00 3.58 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 2.12 2.20 0.00 125 P 0.00 4.23 0.00 2.11 2.07 0.00 3.49 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 2.09 2.12 0.00 126 V 7.51 3.55 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 1.06 0.00 0.00 0.91 0.00 0.00 127 Q 7.93 3.54 0.00 1.54 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 128 A 8.04 4.03 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 0.00 129 A 7.78 3.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 3.89 0.00 3.37 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 0.00 131 Q 8.72 4.17 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 132 K 7.88 3.98 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 133 V 7.71 3.50 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 0.96 0.00 0.00 0.72 0.00 0.00 134 V 8.51 3.81 2.21 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 1.07 0.00 0.00 1.16 0.00 0.00 135 A 8.19 4.11 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 0.00 136 G 8.31 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.37 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 0.65 0.00 0.00 0.68 0.00 0.00 138 A 8.19 3.90 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 0.00 139 N 8.26 4.29 0.00 2.87 2.89 0.00 0.00 7.04 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 0.00 140 A 8.10 4.15 1.40 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 0.00 0.00 141 L 7.95 3.88 0.00 1.05 0.65 0.01 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.65 4.43 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 0.00 143 H 8.03 4.40 0.00 3.37 3.66 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.90 4.38 0.00 1.75 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.01 1.60 7.81 145 Y 7.93 4.20 0.00 3.06 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 0.00 146 H 8.27 4.47 0.00 3.20 3.24 0.00 5.75 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