NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3300 8.3044 120.3384 54.6190 33.5595 174.3022 2 E 3.8981 8.4300 122.9572 56.4712 30.6975 174.3208 3 Q 5.1428 8.7099 122.8249 54.5756 33.4763 173.7612 4 T 4.7861 8.9313 115.7030 60.4399 71.8172 171.9142 5 F 5.4458 8.6924 127.9385 56.6197 41.6621 174.3421 6 I 4.5545 7.7912 126.2969 59.4597 40.5412 174.1545 7 M 4.7578 8.5518 125.8605 53.5916 35.8405 174.1287 8 I 4.4654 8.6160 127.2886 59.7688 38.5339 175.7603 9 K 4.3352 8.4843 126.8849 55.9070 33.0804 176.6544 10 P 4.4778 0.0000 0.0000 65.2090 31.0705 178.6887 11 D 4.6272 8.0229 117.5766 56.0291 39.3919 178.9052 12 G 3.5777 8.0634 107.7373 47.3738 0.0000 176.1304 13 V 3.5211 7.6323 119.9951 65.9204 31.5409 177.6895 14 Q 3.9699 7.7440 116.2836 59.3936 28.5726 178.6965 15 R 4.0399 7.9517 112.5838 56.2964 30.1616 176.5533 16 G 3.8374 7.8552 106.0466 47.2968 0.0000 174.9937 17 L 4.3397 7.6623 116.9132 54.1292 42.6361 177.8536 18 I 3.7451 7.7743 120.9009 64.6410 37.0181 177.7990 19 G 3.7176 8.0420 105.3711 47.9502 0.0000 174.5075 20 E 3.9306 8.2023 121.5736 59.1712 29.4500 178.8556 21 V 3.6888 8.0295 118.1818 66.3219 31.4873 178.1015 22 I 4.1018 7.9366 119.4166 64.4648 36.8678 177.9764 23 C 4.1211 8.5912 118.1388 63.1943 27.9018 176.4441 24 R 3.8565 7.8702 118.7904 59.4306 29.2631 179.2195 25 F 3.7429 7.8349 116.0286 59.9961 38.6439 177.7694 26 E 4.3337 8.5186 118.5480 59.6714 29.1830 179.6327 27 K 4.0222 8.1877 117.2162 59.1884 32.1006 179.0726 28 K 3.8779 7.4936 119.2246 57.6575 32.0930 177.4087 29 G 3.9662 7.5251 105.0912 44.8587 0.0000 173.8822 30 F 5.1423 7.4774 118.0399 57.8546 40.1825 174.9769 31 T 4.6439 8.9602 118.5176 62.3016 70.2591 173.6527 32 L 3.7826 8.8878 128.6304 54.0877 42.6817 176.1261 33 K 4.7592 8.7011 124.7749 55.9805 34.3000 175.9158 34 G 3.8426 7.1982 104.8083 45.2358 0.0000 172.5574 35 L 5.7020 8.6959 123.6545 54.8901 45.2202 173.9492 36 K 4.4337 8.4619 122.3811 56.0593 35.5945 173.6721 37 L 4.9228 8.5787 124.8355 54.3055 42.7151 175.6287 38 I 4.7105 9.0220 127.5596 59.3803 41.3229 174.7834 39 S 5.0166 8.4616 120.6474 56.4353 64.0417 174.1430 40 V 3.5505 8.2860 125.2086 62.3603 32.2797 175.9180 41 E 4.2748 8.3080 125.8663 55.5368 31.5334 177.7846 42 R 3.9159 8.5911 123.0607 59.8825 30.0428 179.1679 43 S 4.1224 8.0532 113.3696 61.3116 63.0171 176.0284 44 F 3.7912 8.0650 123.6013 60.7321 39.1417 176.6381 45 A 3.9110 8.3986 120.8325 55.5028 18.0496 179.4340 46 E 4.0834 8.1680 115.4751 59.6199 29.6377 179.5374 47 K 4.1029 7.5793 118.4985 59.1699 31.9098 178.8454 48 H 4.0120 7.5975 117.9652 58.6814 30.0270 176.2128 49 Y 4.9917 7.9202 117.6668 57.5200 38.9730 177.5090 50 E 4.0559 7.8413 122.6414 59.8719 29.6579 178.6557 51 D 4.6145 8.2098 114.2184 55.8149 41.1243 176.6741 52 L 4.6855 8.1072 119.0058 54.2431 42.5240 177.8460 53 S 2.7900 7.8662 115.8470 61.0683 62.2519 175.8342 54 S 4.0763 7.7302 113.1818 60.7121 62.7620 174.6911 55 K 3.7599 7.5646 119.4426 55.9814 32.2698 177.9613 56 S 4.0365 8.2908 117.5739 61.5075 63.1050 175.3747 57 F 4.5900 7.2155 113.2292 56.8948 38.1541 176.4776 58 F 4.1130 8.1651 125.2263 62.0383 39.0299 177.4025 59 S 4.1441 8.3135 113.2122 61.0893 62.7117 176.5653 60 G 3.5720 8.0168 109.0653 47.8331 0.0000 175.6413 61 L 4.0160 7.8239 121.9328 57.1996 41.2268 179.9233 62 V 3.7922 7.3285 117.3380 66.0950 31.9447 177.5495 63 D 4.5291 8.4753 119.1023 57.3726 40.6052 178.2699 64 Y 4.1783 8.1328 120.0936 60.7711 38.7829 177.5642 65 I 3.7871 7.7654 116.8434 62.9535 38.1738 176.9672 66 V 3.9714 7.4173 117.7493 65.1738 31.4620 177.5616 67 S 4.1465 7.6598 113.6096 60.2842 62.7466 174.3243 68 G 4.1304 6.6687 108.6479 43.0893 0.0000 170.8294 69 P 4.6110 0.0000 0.0000 62.9842 32.7204 175.4899 70 V 4.5827 9.5502 114.9582 59.6224 36.4921 174.5433 71 V 4.8347 8.2744 121.0101 61.3349 33.5692 174.2080 72 A 4.6422 8.7732 130.3758 51.2820 21.0104 175.6761 73 M 5.8207 8.2682 118.8529 53.5195 37.5434 174.1358 74 I 4.8640 7.6934 120.4169 59.4029 40.8185 174.4579 75 W 5.1544 8.9559 126.6966 54.7142 32.6191 174.2487 76 E 5.0913 10.7753 124.5099 53.6672 32.3800 175.6526 77 G 4.7580 8.1222 114.4805 44.5999 0.0000 172.0416 78 K 4.1826 8.5076 119.5778 57.3065 32.3554 177.6857 79 N 4.4858 9.1952 120.3600 54.2969 36.3084 176.7400 80 V 3.1831 7.2889 121.9722 64.6323 31.0686 178.0626 81 V 3.5502 8.0879 118.9860 66.0273 31.5068 178.0855 82 L 4.0508 7.8390 118.2146 58.1032 41.4781 179.5566 83 T 4.0294 8.8629 116.3890 66.3181 68.3664 176.7533 84 G 3.9942 8.0950 108.1294 48.1233 0.0000 175.9329 85 R 4.0384 8.0821 119.0568 58.3829 29.2615 178.8116 86 K 3.8977 7.9075 119.8029 59.5507 32.5770 178.5533 87 I 3.7346 8.5248 121.1477 64.3231 36.7864 178.5993 88 I 3.8281 7.6858 120.9201 62.6152 36.9939 177.0970 89 G 4.1654 8.1212 103.7969 44.2835 0.0000 172.6711 90 A 3.9583 8.2690 120.9834 52.5690 18.7928 178.1148 91 T 3.8706 8.6997 118.5638 66.1850 68.8428 174.0025 92 N 4.6710 7.9265 120.8815 51.3479 38.8925 173.3334 93 P 4.0724 0.0000 0.0000 65.4659 31.5939 178.3524 94 A 4.0300 8.0482 119.1566 53.7949 18.5226 177.6125 95 A 4.5382 8.3510 118.1228 52.5527 21.0648 177.1694 96 S 4.1368 7.4420 111.4509 59.3258 63.7945 174.5061 97 E 4.2293 8.8165 124.1015 55.1426 30.7006 174.5673 98 P 4.4042 0.0000 0.0000 64.2226 31.4570 176.2285 99 G 4.0023 9.2781 112.1896 45.6702 0.0000 174.6195 100 T 4.5878 7.5959 110.2473 59.8796 72.2353 175.6048 101 I 3.9248 8.1198 123.3643 65.1568 37.2247 179.1830 102 R 4.1862 8.4694 118.9371 59.0926 29.6013 179.4155 103 G 3.5956 7.9545 105.0557 47.0782 0.0000 174.8456 104 D 4.3372 7.7952 119.1872 54.8558 41.1929 177.3345 105 F 4.8667 7.7936 114.7532 56.9972 41.5106 175.1599 106 A 4.6958 7.9890 122.7016 51.1649 20.1037 176.1965 107 I 4.3444 8.3199 119.1697 62.5568 39.8995 175.5478 108 D 4.8147 7.7367 119.2432 52.3022 42.3407 177.0800 109 I 3.6590 8.4399 127.0415 64.2188 37.2406 177.3615 110 G 3.6073 7.8654 107.1218 46.8345 0.0000 173.5450 111 R 4.6948 7.8081 118.4364 55.1124 30.5947 174.7275 112 N 4.7316 7.9479 111.2795 52.6533 38.6283 178.4521 113 V 3.4493 8.7732 125.8355 65.0520 32.2594 171.5689 114 I 5.0726 8.1934 116.3990 60.1361 41.4976 173.3471 115 H 5.0882 9.4085 125.1405 54.4011 33.1621 172.4003 116 G 4.3844 8.1060 109.7901 44.2075 0.0000 172.4167 117 S 4.7292 8.3642 119.1979 58.8566 62.8754 174.7211 118 D 4.5715 9.0004 123.1840 55.2027 40.0694 176.3993 119 S 4.6794 7.7638 114.3351 55.7421 67.5630 175.2337 120 V 3.5630 8.2539 120.5854 66.0641 31.1901 177.2266 121 E 3.9566 8.2314 118.8290 59.5168 29.4946 178.8361 122 S 4.2770 8.2801 113.3060 60.7026 62.9855 176.3072 123 A 4.0625 7.7776 125.0822 55.1644 18.2023 179.4113 124 R 3.9270 8.0129 116.6804 59.6464 30.2014 179.4148 125 K 4.0074 7.8709 117.7288 59.5059 31.9836 179.3384 126 E 4.0091 8.3794 119.2045 59.3700 29.3919 179.5106 127 I 3.9251 8.6725 113.5674 64.0842 37.4787 178.1624 128 A 4.1757 7.9691 121.6978 54.5235 18.2023 179.0650 129 L 4.0345 7.7611 118.2587 57.9437 42.3795 178.6454 130 W 4.3779 8.4066 117.4845 57.7320 30.5787 176.7131 131 F 4.9583 8.7743 116.8747 55.1595 38.7938 173.9998 132 P 4.3292 0.0000 0.0000 66.1409 31.7579 177.5818 133 D 4.6108 8.2090 114.9103 54.0403 40.5732 177.1468 134 G 3.9736 8.2483 109.0100 44.3728 0.0000 171.4571 135 P 4.7416 0.0000 0.0000 61.5501 33.3957 175.6785 136 V 4.1400 8.4314 121.7212 62.0369 31.7687 175.0713 137 N 5.0808 8.7021 125.9621 52.3063 39.8966 174.5932 138 W 4.6810 7.9912 116.7910 56.1562 30.4322 173.3982 139 Q 4.3972 8.6242 118.1285 53.7139 30.2135 175.8962 140 S 4.5144 8.1763 117.7172 58.2348 63.0961 174.8975 141 S 4.4441 8.8125 121.0189 60.3987 63.4359 175.2765 142 V 4.2557 7.8596 114.0103 62.4114 32.2541 177.6447 143 H 4.2901 8.1544 120.3707 58.8066 29.6717 174.6076 144 P 4.3074 0.0000 0.0000 63.7683 30.8520 176.2295 145 W 4.7839 8.9195 118.6540 56.6218 30.8805 176.3103 146 V 3.9378 7.7537 117.0693 63.5982 31.9442 175.2760 147 Y 4.8133 7.9841 115.9126 55.6923 40.9618 174.6493 148 E 4.2344 8.7188 120.8353 56.6334 31.1344 176.5532 149 T 3.6286 8.4326 117.8368 64.1307 68.2602 171.6767 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 4.33 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 E 8.43 3.90 0.00 2.19 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 0.00 2.41 2.43 0.00 3 Q 8.71 5.14 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 4 T 8.93 4.79 4.24 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 1.31 0.00 0.00 5 F 8.69 5.45 0.00 3.16 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.79 4.55 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.45 0.65 0.00 0.00 7 M 8.55 4.76 0.00 1.79 1.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.31 0.00 8 I 8.62 4.47 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.88 0.00 0.00 9 K 8.48 4.34 0.00 1.91 1.98 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.55 1.73 7.81 10 P 0.00 4.48 0.00 1.71 1.90 0.00 3.72 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 1.83 1.98 0.00 11 D 8.02 4.63 0.00 3.07 3.14 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 12 G 8.06 3.58 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 0.00 0.00 0.00 13 V 7.63 3.52 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 1.12 0.00 0.00 0.94 0.00 0.00 14 Q 7.74 3.97 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 15 R 7.95 4.04 0.00 1.89 1.95 0.00 3.33 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 16 G 7.86 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 L 7.66 4.34 0.00 1.66 1.33 0.59 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.77 3.75 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.51 0.92 0.00 0.00 19 G 8.04 3.72 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 0.00 0.00 0.00 20 E 8.20 3.93 0.00 2.01 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 2.36 2.51 0.00 21 V 8.03 3.69 2.24 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 1.06 0.00 0.00 0.97 0.00 0.00 22 I 7.94 4.10 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.73 1.29 0.00 0.00 23 C 8.59 4.12 0.00 3.21 3.04 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 0.00 0.00 0.00 24 R 7.87 3.86 0.00 1.93 1.80 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 25 F 7.83 3.74 0.00 1.68 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 26 E 8.52 4.33 0.00 2.40 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 0.00 2.76 3.01 0.00 27 K 8.19 4.02 0.00 1.65 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 28 K 7.49 3.88 0.00 1.50 1.59 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.92 0.51 7.81 29 G 7.53 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 30 F 7.48 5.14 0.00 3.40 3.36 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 31 T 8.96 4.64 4.14 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 0.28 0.00 0.00 32 L 8.89 3.78 0.00 0.60 1.40 -0.72 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.70 4.76 0.00 1.45 1.66 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.41 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.24 1.40 7.81 34 G 7.20 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 35 L 8.70 5.70 0.00 1.49 1.46 0.93 0.64 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 36 K 8.46 4.43 0.00 1.80 1.88 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.30 1.30 7.81 37 L 8.58 4.92 0.00 1.65 1.61 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.02 4.71 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.72 0.00 0.00 39 S 8.46 5.02 0.00 3.82 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 40 V 8.29 3.55 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 0.80 0.00 0.00 1.08 0.00 0.00 41 E 8.31 4.27 0.00 2.04 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 2.28 2.25 0.00 42 R 8.59 3.92 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 43 S 8.05 4.12 0.00 4.09 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 44 F 8.06 3.79 0.00 3.03 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 45 A 8.40 3.91 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 46 E 8.17 4.08 0.00 2.15 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 0.00 2.41 2.68 0.00 47 K 7.58 4.10 0.00 1.49 1.59 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.53 7.81 48 H 7.60 4.01 0.00 2.72 3.14 0.00 5.93 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 49 Y 7.92 4.99 0.00 3.16 2.99 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 0.00 0.00 0.00 50 E 7.84 4.06 0.00 2.18 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 2.30 2.30 0.00 51 D 8.21 4.61 0.00 2.78 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 52 L 8.11 4.69 0.00 2.19 1.82 1.10 0.64 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 53 S 7.87 2.79 0.00 3.54 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 54 S 7.73 4.08 0.00 3.76 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 55 K 7.56 3.76 0.00 1.40 0.74 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.36 7.81 56 S 8.29 4.04 0.00 3.97 3.96 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 57 F 7.22 4.59 0.00 3.23 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 58 F 8.17 4.11 0.00 3.34 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 59 S 8.31 4.14 0.00 4.12 4.20 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 0.00 0.00 0.00 60 G 8.02 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 61 L 7.82 4.02 0.00 1.50 0.68 1.03 0.49 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 62 V 7.33 3.79 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 0.81 0.00 0.00 0.36 0.00 0.00 63 D 8.48 4.53 0.00 2.78 2.76 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 64 Y 8.13 4.18 0.00 3.20 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 65 I 7.77 3.79 2.24 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 1.15 0.00 0.00 66 V 7.42 3.97 2.35 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 1.01 0.00 0.00 1.04 0.00 0.00 67 S 7.66 4.15 0.00 4.05 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 68 G 6.67 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 0.00 0.00 0.00 69 P 0.00 4.61 0.00 2.10 2.17 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 70 V 9.55 4.58 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 0.77 0.00 0.00 1.11 0.00 0.00 71 V 8.27 4.83 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 0.75 0.00 0.00 0.92 0.00 0.00 72 A 8.77 4.64 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 73 M 8.27 5.82 0.00 1.74 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 74 I 7.69 4.86 1.38 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.24 0.76 0.00 0.00 75 W 8.96 5.15 0.00 3.08 2.99 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 0.00 0.00 0.00 76 E 10.78 5.09 0.00 1.94 1.76 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 2.19 2.47 0.00 77 G 8.12 4.76 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 78 K 8.51 4.18 0.00 2.14 1.93 0.00 2.06 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.64 7.81 79 N 9.20 4.49 0.00 3.04 2.96 0.00 0.00 6.88 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 80 V 7.29 3.18 1.89 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 0.80 0.00 0.00 0.11 0.00 0.00 81 V 8.09 3.55 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 1.07 0.00 0.00 0.98 0.00 0.00 82 L 7.84 4.05 0.00 1.77 1.73 0.95 0.75 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 83 T 8.86 4.03 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 84 G 8.09 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.08 4.04 0.00 2.09 2.22 0.00 3.03 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 86 K 7.91 3.90 0.00 1.87 2.11 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.47 7.81 87 I 8.52 3.73 1.85 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.47 0.00 0.00 88 I 7.69 3.83 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.95 0.00 0.00 89 G 8.12 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 90 A 8.27 3.96 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 91 T 8.70 3.87 4.24 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 1.22 0.00 0.00 92 N 7.93 4.67 0.00 2.73 2.69 0.00 0.00 7.17 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 93 P 0.00 4.07 0.00 2.37 2.20 0.00 3.64 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 94 A 8.05 4.03 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 95 A 8.35 4.54 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 96 S 7.44 4.14 0.00 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.82 4.23 0.00 1.89 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 2.38 2.26 0.00 98 P 0.00 4.40 0.00 1.88 1.92 0.00 3.61 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 1.98 2.05 0.00 99 G 9.28 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 0.00 100 T 7.60 4.59 4.36 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 1.24 0.00 0.00 101 I 8.12 3.92 1.98 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 1.68 1.29 1.11 0.00 0.00 102 R 8.47 4.19 0.00 1.97 2.01 0.00 3.39 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 103 G 7.95 3.60 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 0.00 104 D 7.80 4.34 0.00 1.58 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 0.00 0.00 0.00 0.00 105 F 7.79 4.87 0.00 3.05 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 0.00 106 A 7.99 4.70 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.32 4.34 1.88 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 1.31 0.74 0.91 0.00 0.00 108 D 7.74 4.81 0.00 2.68 2.48 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 0.00 109 I 8.44 3.66 1.80 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 1.32 0.61 0.84 0.00 0.00 110 G 7.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.69 0.00 1.73 1.98 0.00 3.43 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 112 N 7.95 4.73 0.00 2.98 3.03 0.00 0.00 5.73 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 0.00 113 V 8.77 3.45 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 0.87 0.00 0.00 1.01 0.00 0.00 114 I 8.19 5.07 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.88 1.02 0.00 0.00 115 H 9.41 5.09 0.00 3.36 3.11 0.00 5.79 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 0.00 116 G 8.11 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 0.00 117 S 8.36 4.73 0.00 3.80 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 0.00 118 D 9.00 4.57 0.00 2.81 2.86 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 0.00 0.00 0.00 119 S 7.76 4.68 0.00 3.99 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 0.00 120 V 8.25 3.56 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 121 E 8.23 3.96 0.00 2.09 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 2.41 2.40 0.00 122 S 8.28 4.28 0.00 4.18 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 0.00 123 A 7.78 4.06 1.49 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 0.00 0.00 0.00 124 R 8.01 3.93 0.00 2.02 2.04 0.00 3.32 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 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2.74 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 0.00 134 G 8.25 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 0.00 135 P 0.00 4.74 0.00 2.01 1.93 0.00 3.77 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 1.92 1.92 0.00 136 V 8.43 4.14 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 0.78 0.00 0.00 0.94 0.00 0.00 137 N 8.70 5.08 0.00 2.69 2.73 0.00 0.00 7.01 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 0.00 138 W 7.99 4.68 0.00 3.51 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 0.00 139 Q 8.62 4.40 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.98 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 140 S 8.18 4.51 0.00 3.75 3.75 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 0.00 141 S 8.81 4.44 0.00 4.13 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 0.00 142 V 7.86 4.26 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 0.88 0.00 0.00 1.05 0.00 0.00 143 H 8.15 4.29 0.00 3.40 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.31 0.00 1.68 1.99 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 145 W 8.92 4.78 0.00 3.33 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 0.00 146 V 7.75 3.94 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 0.15 0.00 0.00 0.97 0.00 0.00 147 Y 7.98 4.81 0.00 2.68 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 0.00 148 E 8.72 4.23 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 149 T 8.43 3.63 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 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