NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4866 8.3049 120.3227 55.0842 33.4701 175.8653 2 L 4.0416 9.9532 123.5475 53.7786 40.6009 175.6714 3 K 4.4104 8.6687 128.8981 54.4225 31.3667 178.2073 4 Q 4.0436 8.4519 115.7647 56.7750 27.3504 173.4256 5 V 3.3639 7.3527 121.4963 59.8547 33.7668 174.1744 6 E 4.8444 8.8360 126.5661 54.5435 32.3537 174.7948 7 I 4.7468 8.3161 124.6774 59.4450 40.0072 174.6585 8 F 5.2682 9.2219 123.3206 55.3238 42.7137 174.0145 9 T 4.8557 8.3688 114.2836 61.8603 70.5822 171.4594 10 D 4.5480 8.1159 124.3412 54.0699 45.7994 174.1530 11 G 4.5572 9.0152 105.8956 45.7651 0.0000 173.2845 12 S 4.9761 8.2365 119.5500 57.0664 66.9845 173.3816 13 C 4.6404 8.3852 119.4483 58.7250 32.9449 174.0662 14 L 3.9878 8.4789 127.5294 56.5339 41.8545 178.1663 15 G 4.0352 7.6336 106.1052 46.0230 0.0000 173.9334 16 N 4.9847 8.4418 112.8063 51.7193 37.9048 172.1495 17 P 4.7281 0.0000 0.0000 63.0712 33.6669 175.4816 18 G 4.1911 8.3319 106.8708 44.6640 0.0000 169.8155 19 P 4.9055 0.0000 0.0000 62.2400 32.5757 176.3574 20 G 4.4475 8.7745 110.1024 44.7071 0.0000 171.6728 21 G 4.9664 9.5388 106.1556 44.8210 0.0000 171.7912 22 Y 5.3304 8.3973 121.2276 54.8766 41.0142 174.4929 23 G 5.1390 8.9287 109.1347 43.4936 0.0000 172.0451 24 A 5.1511 7.6376 123.5731 51.7238 23.3661 175.3644 25 I 5.1186 8.0525 120.2881 59.4918 42.2072 174.2412 26 L 4.8140 9.0833 126.4464 53.1875 44.7532 176.7796 27 R 4.4644 8.1149 128.6613 54.5407 27.9018 175.8421 28 Y 3.9818 7.9554 120.1603 58.6874 39.0812 176.9344 29 R 5.0575 8.0806 131.1092 54.8520 29.3983 176.6086 30 G 4.6721 8.9367 115.4743 43.8679 0.0000 170.6567 31 R 4.7599 8.5946 129.1776 51.9757 26.6511 174.0705 32 E 4.4874 8.3853 118.3883 55.2610 30.9981 174.7375 33 K 4.7139 9.3144 124.8343 54.6972 35.6768 175.3755 34 T 5.1386 8.1805 113.4565 60.0167 72.1143 173.3099 35 F 5.1158 10.6897 120.0055 56.3746 43.3245 174.0660 36 S 5.4432 8.6075 117.2075 57.5075 67.0760 173.3679 37 A 4.2035 7.5020 122.1106 51.6555 21.8657 175.6070 38 G 4.1923 7.8972 107.4422 45.1533 0.0000 172.1858 39 Y 5.0153 8.5720 119.7292 56.0054 40.5642 176.1413 40 T 3.8927 9.6140 121.0177 65.2590 68.5220 173.8955 41 R 4.8611 7.8184 119.6358 55.7807 32.9433 173.5209 42 T 4.2004 10.3671 123.4972 61.7134 71.9017 171.6956 43 T 4.8423 7.9788 109.6502 59.7308 72.7003 173.6679 44 N 4.3500 8.5926 119.2612 56.9295 39.2962 176.2195 45 N 3.8970 7.9926 115.1343 56.6007 38.5264 177.0710 46 R 4.1274 7.7294 114.8809 57.8553 30.5299 178.1594 47 M 4.1483 7.6921 117.6018 56.5406 32.7867 178.1346 48 E 4.0643 7.9657 118.5526 59.1454 29.8065 178.8740 49 L 3.7994 7.7386 118.6050 57.9242 41.8648 178.8819 50 M 3.7537 7.3333 117.4861 58.8263 31.7689 178.0492 51 A 3.6166 7.6853 119.5910 55.1084 18.4262 179.1524 52 A 4.0441 8.1574 118.2737 53.7715 18.7756 180.0009 53 I 3.5816 9.3105 118.6201 63.2774 36.5715 181.5577 54 V 2.3669 5.4500 125.3660 63.8633 34.4130 175.5328 55 A 3.4662 6.7582 120.3180 55.7568 18.5934 179.2075 56 L 3.8598 8.7710 115.8754 57.8722 41.8315 179.5430 57 E 3.9138 8.0393 116.8195 58.2183 29.4878 176.8677 58 A 4.7662 7.8235 121.3409 52.0708 19.9822 177.1484 59 L 4.6431 7.6226 121.9609 52.9739 41.6753 177.4382 60 K 3.9507 8.3232 122.0991 58.9958 32.7728 176.5709 61 E 4.9598 7.4756 116.8452 55.2550 32.7484 174.7599 62 H 4.5097 8.5400 113.8766 55.6165 28.6177 175.0227 63 C 4.1534 7.9637 117.4431 60.5598 29.9839 174.5975 64 E 4.6758 8.6865 122.1985 55.0561 30.0564 174.9950 65 V 4.4591 8.7234 121.2458 59.5513 34.9292 175.4359 66 I 4.4277 8.3885 126.7168 59.6225 37.8298 173.7383 67 L 4.2951 7.6696 130.0502 53.9545 40.7136 174.5166 68 S 4.6444 8.5567 119.3250 58.0956 64.0784 172.5285 69 T 4.7805 8.5539 121.2029 63.3137 73.0972 174.4418 70 D 5.1138 9.6550 122.3939 56.7261 40.3236 176.7637 71 S 3.7536 6.6783 113.0255 54.6509 64.7301 172.5745 72 Q 4.3048 8.4950 125.2616 55.7470 30.0476 174.5550 73 Y 4.4515 7.8214 117.3013 58.5231 40.6230 177.5188 74 V 3.8203 8.6633 117.5014 64.8439 31.8765 176.9001 75 R 2.0000 7.1047 118.3444 57.4481 29.8901 177.2932 76 Q 3.3924 7.1512 119.1721 59.0679 28.8897 179.6134 77 G 3.0968 7.2802 106.2566 47.5439 0.0000 174.6525 78 I 3.9151 7.7188 123.2649 62.9725 36.7326 177.3009 79 T 4.1137 7.1626 108.7346 62.9218 68.1709 174.6228 80 Q 4.4467 7.0247 120.4413 55.9767 36.8576 176.2025 81 W 3.7871 7.3179 119.7446 59.5686 29.3222 178.6169 82 I 2.3939 6.9026 118.5264 64.1373 37.0283 177.3204 83 H 3.7052 7.7464 118.5160 59.5626 29.5092 176.2919 84 N 4.1904 7.2922 117.7036 56.3162 38.2417 176.7376 85 W 4.2410 7.7797 120.4495 59.3551 28.7188 178.2068 86 K 3.4295 7.1618 119.2002 59.7848 31.8205 178.6657 87 K 3.9958 7.2391 117.8810 58.9076 32.1572 178.1017 88 R 4.5097 7.7114 116.3660 55.4160 31.2024 176.9053 89 G 4.1885 10.0742 106.3492 45.0169 0.0000 173.5244 90 W 3.3714 8.0130 116.5753 57.7071 25.5621 174.2545 91 K 4.6643 7.7899 115.1456 54.3718 35.3400 178.0426 92 T 4.1168 8.2081 111.4907 61.7653 69.4253 174.0648 93 A 4.4088 8.3372 122.0863 53.5764 19.4962 178.2986 94 D 4.3531 8.2759 115.3551 54.8369 41.6791 176.2152 95 K 3.8080 7.5213 116.8598 56.7354 29.3964 176.4745 96 K 4.3362 7.3277 119.0487 54.4474 34.6129 173.0511 97 P 4.4993 0.0000 0.0000 61.7311 32.7442 175.7607 98 V 4.1285 7.7862 119.1126 60.6472 33.1270 175.1973 99 K 4.0310 8.3523 125.4785 58.0807 32.5130 176.7638 100 N 4.9274 9.1749 120.8902 53.6786 36.7045 176.1194 101 V 3.7942 7.5255 120.1293 65.0167 30.4210 177.9563 102 D 4.2461 8.1255 119.2299 56.4252 39.1944 178.2034 103 L 4.2134 8.3579 120.1472 55.7264 42.0129 179.2410 104 W 4.2947 7.8564 118.7607 60.0879 28.9772 178.2749 105 Q 3.2653 8.0800 116.6220 58.6161 28.1080 178.9863 106 R 3.9726 7.6982 119.5151 59.2927 30.3671 177.8910 107 L 3.5880 7.9896 120.0151 58.3435 41.8512 178.2677 108 D 4.7933 8.2801 115.9968 56.8913 41.4750 176.8910 109 A 4.1758 9.3127 123.5797 53.5312 18.0404 178.7621 110 A 3.9103 7.9439 122.6393 54.7174 18.9703 178.2699 111 L 4.6863 7.9715 114.3371 54.9129 41.6410 177.5705 112 G 4.3598 8.4043 105.4085 45.4419 0.0000 174.3476 113 Q 4.5419 8.0305 114.9989 55.5534 28.9669 173.3415 114 H 4.7781 7.8988 113.2356 55.7878 33.4578 173.0119 115 Q 4.5187 8.7955 119.6046 54.7638 30.0521 174.8835 116 I 4.7522 8.2820 124.8676 59.1639 39.8967 175.2819 117 K 4.5181 8.3594 125.2868 54.3092 34.9097 174.9696 118 W 4.3019 8.5801 124.4998 54.4157 30.3920 176.4778 119 E 4.3994 7.5298 126.8197 53.9898 27.9209 175.4686 120 W 5.5858 7.7897 122.0118 57.6243 27.6310 176.2658 121 V 3.9550 9.3719 117.1879 61.0928 32.2469 177.5465 122 K 3.8411 9.2095 125.2372 59.8036 32.7559 179.9703 123 G 3.5462 9.2402 102.1767 47.8412 0.0000 175.0848 124 H 3.9980 7.3892 112.1851 55.4917 29.9717 174.0282 125 A 4.8781 7.2105 122.5215 50.5164 19.8648 177.3495 126 G 3.9230 7.4110 106.2552 46.4199 0.0000 173.5604 127 H 3.7320 9.1866 112.7623 57.2211 26.0308 175.3128 128 P 3.9287 0.0000 0.0000 64.6886 32.1156 178.3797 129 E 3.8858 8.0006 117.2104 59.6501 28.8041 178.8153 130 N 4.1994 8.3389 116.5852 56.5752 38.3211 177.0862 131 E 3.9502 8.0232 118.9110 58.8477 29.9209 178.3846 132 R 3.9651 8.4785 118.9633 59.8648 30.1996 178.3408 133 C 3.9288 8.8275 116.4379 63.2949 28.2228 175.8479 134 D 4.3161 7.6133 118.7084 57.4522 40.7394 177.7644 135 E 3.9164 8.2866 118.8685 59.9505 29.6368 179.6069 136 L 3.5734 8.2742 118.3825 57.8685 41.6326 179.5555 137 A 4.0249 8.4522 120.9868 54.9705 18.1735 179.4834 138 R 3.8533 8.0974 115.4418 59.5502 29.9363 178.7694 139 A 3.9728 8.6130 119.7822 55.3125 18.5860 179.5056 140 A 4.0139 7.8516 117.0852 55.1399 18.5952 178.7205 141 A 3.9315 8.1393 119.8724 55.4695 18.1698 179.2093 142 M 4.1783 7.6753 117.1155 56.7850 33.5439 177.4334 143 N 4.7830 7.7174 116.9841 51.6847 40.0217 169.5357 144 P 4.5977 0.0000 0.0000 61.2576 32.0467 176.4220 145 T 4.0689 8.3559 120.6920 64.7063 69.1400 175.1691 146 L 4.3293 7.4445 120.3607 52.8214 43.8705 174.8077 147 E 4.7789 8.1106 120.2657 54.4221 29.7516 175.6841 148 D 4.9790 8.6935 127.7798 54.7792 38.8078 176.4671 149 T 3.9530 8.2774 112.7585 62.7168 69.5378 176.6097 150 G 3.7286 7.7366 110.5472 47.1920 0.0000 173.0920 151 Y 4.3504 8.1489 120.8297 58.3256 37.6987 174.6900 152 Q 4.1372 8.1043 126.9723 56.3634 29.1664 176.7057 153 V 3.1522 5.8287 107.0044 60.9283 29.5852 172.9899 154 E 4.7181 8.1677 119.3930 56.2276 32.1032 177.0726 155 V 3.5942 8.3867 117.6671 63.4639 32.5867 172.6175 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 4.49 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 L 9.95 4.04 0.00 1.63 1.59 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.67 4.41 0.00 1.71 1.74 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.49 7.81 4 Q 8.45 4.04 0.00 2.07 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 5 V 7.35 3.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 6 E 8.84 4.84 0.00 1.64 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 2.19 2.24 0.00 7 I 8.32 4.75 1.68 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.74 0.00 0.00 8 F 9.22 5.27 0.00 3.03 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 9 T 8.37 4.86 4.32 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 1.25 0.00 0.00 10 D 8.12 4.55 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.02 4.56 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 0.00 0.00 0.00 12 S 8.24 4.98 0.00 3.90 3.98 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 13 C 8.39 4.64 0.00 3.02 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 14 L 8.48 3.99 0.00 1.77 1.73 0.92 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 15 G 7.63 4.04 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 0.00 0.00 0.00 16 N 8.44 4.98 0.00 2.65 2.75 0.00 0.00 5.85 7.75 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 17 P 0.00 4.73 0.00 2.00 1.76 0.00 3.54 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 2.16 2.26 0.00 18 G 8.33 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.91 0.00 2.09 2.13 0.00 3.82 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 2.12 2.14 0.00 20 G 8.77 4.45 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 0.00 21 G 9.54 4.97 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 22 Y 8.40 5.33 0.00 3.05 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 23 G 8.93 5.14 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 0.00 24 A 7.64 5.15 1.50 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 0.00 0.00 25 I 8.05 5.12 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 1.05 0.00 0.00 26 L 9.08 4.81 0.00 1.82 1.85 0.98 1.05 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 27 R 8.11 4.46 0.00 1.82 1.94 0.00 3.71 0.00 0.00 3.33 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 28 Y 7.96 3.98 0.00 2.95 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 29 R 8.08 5.06 0.00 1.85 1.89 0.00 2.59 0.00 0.00 2.62 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 30 G 8.94 4.67 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 31 R 8.59 4.76 0.00 2.06 2.05 0.00 3.04 0.00 0.00 3.20 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 32 E 8.39 4.49 0.00 2.06 2.36 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 2.13 2.26 0.00 33 K 9.31 4.71 0.00 1.52 1.37 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.37 7.81 34 T 8.18 5.14 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 35 F 10.69 5.12 0.00 3.12 3.27 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 36 S 8.61 5.44 0.00 3.67 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 37 A 7.50 4.20 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.90 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.57 5.02 0.00 2.95 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 40 T 9.61 3.89 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 1.28 0.00 0.00 41 R 7.82 4.86 0.00 1.86 1.82 0.00 3.44 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 42 T 10.37 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 T 7.98 4.84 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 0.59 0.00 0.00 44 N 8.59 4.35 0.00 2.75 2.74 0.00 0.00 6.86 6.71 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 45 N 7.99 3.90 0.00 2.34 1.42 0.00 0.00 7.09 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 46 R 7.73 4.13 0.00 1.70 1.84 0.00 3.24 0.00 0.00 3.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 47 M 7.69 4.15 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.97 0.00 48 E 7.97 4.06 0.00 2.11 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 0.00 2.55 2.64 0.00 49 L 7.74 3.80 0.00 1.63 1.46 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.33 3.75 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 51 A 7.69 3.62 1.51 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 52 A 8.16 4.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 9.31 3.58 1.92 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 1.35 0.89 0.81 0.00 0.00 54 V 5.45 2.37 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 -0.01 0.00 0.00 0.39 0.00 0.00 55 A 6.76 3.47 1.16 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 0.00 0.00 56 L 8.77 3.86 0.00 1.65 1.65 0.94 0.67 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 57 E 8.04 3.91 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 58 A 7.82 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.62 4.64 0.00 1.83 1.68 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.32 3.95 0.00 1.88 1.97 0.00 1.29 0.00 0.00 1.34 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.62 7.81 61 E 7.48 4.96 0.00 2.13 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 2.28 2.31 0.00 62 H 8.54 4.51 0.00 3.11 3.31 0.00 5.92 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 7.96 4.15 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.69 4.68 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 65 V 8.72 4.46 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.77 0.00 0.00 66 I 8.39 4.43 1.67 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 0.99 0.64 0.75 0.00 0.00 67 L 7.67 4.30 0.00 0.83 0.77 0.36 0.71 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 68 S 8.56 4.64 0.00 4.21 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 69 T 8.55 4.78 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 1.55 0.00 0.00 70 D 9.66 5.11 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 6.68 3.75 0.00 3.99 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 72 Q 8.50 4.30 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 73 Y 7.82 4.45 0.00 3.06 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 74 V 8.66 3.82 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 1.00 0.00 0.00 0.98 0.00 0.00 75 R 7.10 2.00 0.00 0.67 0.90 0.00 2.42 0.00 0.00 2.72 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 76 Q 7.15 3.39 0.00 1.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 1.84 2.10 0.00 77 G 7.28 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 0.00 0.00 0.00 78 I 7.72 3.92 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 -0.24 0.63 0.00 0.00 79 T 7.16 4.11 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 1.41 0.00 0.00 80 Q 7.02 4.45 0.00 1.76 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 7.02 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 81 W 7.32 3.79 0.00 2.21 1.94 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 82 I 6.90 2.39 1.40 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.24 0.71 0.00 0.00 83 H 7.75 3.71 0.00 3.04 3.09 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.29 4.19 0.00 2.34 2.74 0.00 0.00 6.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.78 4.24 0.00 2.71 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 0.00 0.00 0.00 0.00 86 K 7.16 3.43 0.00 1.46 1.77 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.15 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.48 1.18 7.81 87 K 7.24 4.00 0.00 1.66 1.95 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 88 R 7.71 4.51 0.00 1.81 1.97 0.00 3.52 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 89 G 10.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.01 3.37 0.00 3.33 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 91 K 7.79 4.66 0.00 1.71 1.66 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 92 T 8.21 4.12 4.30 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 0.00 0.00 0.00 1.22 0.00 0.00 93 A 8.34 4.41 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 94 D 8.28 4.35 0.00 2.65 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 95 K 7.52 3.81 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 96 K 7.33 4.34 0.00 1.75 1.59 0.00 1.63 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.48 7.81 97 P 0.00 4.50 0.00 2.05 1.95 0.00 3.70 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 2.02 2.11 0.00 98 V 7.79 4.13 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.58 0.00 0.00 99 K 8.35 4.03 0.00 1.78 1.83 0.00 1.94 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.71 7.81 100 N 9.17 4.93 0.00 3.40 3.07 0.00 0.00 7.31 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 0.00 101 V 7.53 3.79 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 0.82 0.00 0.00 0.75 0.00 0.00 102 D 8.13 4.25 0.00 2.86 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 0.00 103 L 8.36 4.21 0.00 1.49 1.56 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.86 4.29 0.00 3.53 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 0.00 105 Q 8.08 3.27 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.70 3.97 0.00 1.87 1.89 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 107 L 7.99 3.59 0.00 1.83 1.83 1.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.28 4.79 0.00 3.31 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 0.00 109 A 9.31 4.18 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 0.00 110 A 7.94 3.91 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 0.00 111 L 7.97 4.69 0.00 2.13 1.90 1.52 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.40 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 0.00 0.00 0.00 0.00 113 Q 8.03 4.54 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 114 H 7.90 4.78 0.00 2.95 3.12 0.00 5.87 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 0.00 115 Q 8.80 4.52 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 116 I 8.28 4.75 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.17 -0.24 0.00 0.00 117 K 8.36 4.52 0.00 1.51 1.57 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.25 7.81 118 W 8.58 4.30 0.00 2.05 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 0.00 0.00 0.00 0.00 119 E 7.53 4.40 0.00 2.03 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 120 W 7.79 5.59 0.00 3.28 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 0.00 121 V 9.37 3.96 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 0.96 0.00 0.00 1.13 0.00 0.00 122 K 9.21 3.84 0.00 1.75 1.94 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 123 G 9.24 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.39 4.00 0.00 3.37 3.35 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.21 4.88 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 0.00 126 G 7.41 3.92 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 0.00 0.00 0.00 127 H 9.19 3.73 0.00 3.03 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 3.93 0.00 2.02 2.01 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 129 E 8.00 3.89 0.00 1.16 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 1.94 2.21 0.00 130 N 8.34 4.20 0.00 2.95 2.99 0.00 0.00 7.11 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 0.00 131 E 8.02 3.95 0.00 2.20 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 2.42 2.41 0.00 132 R 8.48 3.97 0.00 1.95 2.01 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 133 C 8.83 3.93 0.00 3.17 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 0.00 134 D 7.61 4.32 0.00 2.79 2.83 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 0.00 0.00 0.00 135 E 8.29 3.92 0.00 2.07 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 2.44 2.66 0.00 136 L 8.27 3.57 0.00 1.98 1.79 0.99 1.17 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 0.00 137 A 8.45 4.02 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 0.00 138 R 8.10 3.85 0.00 1.98 2.04 0.00 3.15 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 139 A 8.61 3.97 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 0.00 140 A 7.85 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.14 3.93 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 0.00 142 M 7.68 4.18 0.00 2.03 2.17 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 2.64 2.97 0.00 143 N 7.72 4.78 0.00 2.61 2.64 0.00 0.00 7.11 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 0.00 144 P 0.00 4.60 0.00 2.19 2.12 0.00 3.78 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 1.92 1.96 0.00 145 T 8.36 4.07 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 1.15 0.00 0.00 146 L 7.44 4.33 0.00 0.82 1.27 0.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.11 4.78 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 2.23 2.30 0.00 148 D 8.69 4.98 0.00 3.03 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 0.00 149 T 8.28 3.95 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 150 G 7.74 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 0.00 151 Y 8.15 4.35 0.00 3.05 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 0.00 152 Q 8.10 4.14 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 5.86 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 153 V 5.83 3.15 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 0.69 0.00 0.00 0.77 0.00 0.00 154 E 8.17 4.72 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 155 V 8.39 3.59 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 0.72 0.00 0.00 0.91 0.00 0.00