NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4480 8.3044 118.1954 55.3349 32.5620 174.3898 1 V 4.2114 7.8287 118.3510 61.0819 34.2658 172.7177 2 L 4.3244 8.3025 127.6096 54.0487 43.5901 176.9072 3 S 4.5434 8.6566 117.1877 57.6928 65.4655 175.0969 4 E 4.2947 8.8600 122.9049 59.6200 29.4254 179.2854 5 G 3.6525 8.1026 105.2973 47.6353 0.0000 175.4908 6 E 3.9367 7.9094 120.6590 59.0490 29.4967 179.2742 7 W 4.3423 7.9930 119.0101 59.8777 29.0410 178.5413 8 Q 4.1457 8.4651 118.0386 59.1215 28.2136 178.9282 9 L 4.0831 7.9554 119.7745 57.7297 41.6231 179.8437 10 V 3.7706 7.9179 118.3421 66.0065 31.5731 177.9391 11 L 4.3764 8.7254 118.4554 57.0909 41.2083 178.8455 12 H 4.2682 8.5633 119.3584 59.1812 29.9182 177.5811 13 V 3.5374 7.8864 120.5306 64.3094 31.3498 178.1776 14 W 3.9231 8.5691 128.9693 60.0801 30.2596 177.7967 15 A 4.0160 7.9368 120.1058 54.6118 18.0581 179.4392 16 K 3.9542 7.2641 117.2581 59.3109 32.2109 179.4839 17 V 2.8580 7.0988 118.3952 65.8095 31.0576 177.6769 18 E 3.8881 7.5442 115.8146 58.1351 29.2738 178.5763 19 A 4.2360 7.4562 120.5614 53.6960 19.7746 177.4746 20 D 4.6260 7.8226 116.8241 51.8913 42.2224 175.5462 21 V 3.4923 7.9066 122.8310 65.3031 31.9396 176.8828 22 A 4.1177 7.9591 120.3647 54.8907 18.3490 179.6929 23 G 3.7036 8.2236 105.6089 47.7945 0.0000 175.6709 24 H 4.1527 8.2570 119.2234 58.2461 28.7163 177.9603 25 G 3.6979 8.5554 107.8567 48.0180 0.0000 175.4570 26 Q 3.8780 8.1166 120.9076 58.6747 28.7957 178.5349 27 D 4.3442 7.9579 119.5944 57.6923 40.8425 179.3201 28 I 3.6593 7.7900 119.8115 64.4688 37.0486 178.5880 29 L 3.4783 7.6677 119.6435 57.6329 41.3330 179.7126 30 I 3.7111 7.7232 119.8504 64.1816 36.9502 178.4388 31 R 3.8472 7.9949 119.7333 59.1407 29.8408 178.4161 32 L 3.8911 7.9192 120.4462 58.2604 41.6904 179.0417 33 F 4.7079 7.9213 117.9297 60.4128 38.5971 177.9511 34 K 4.1469 8.4157 118.0786 59.2602 31.9318 179.2331 35 S 4.3650 8.0618 114.9445 60.1471 64.0224 174.2637 36 H 4.6723 8.4526 119.1091 52.1922 29.5239 171.9477 37 P 4.5257 0.0000 0.0000 64.4188 31.4982 177.5417 38 E 4.3868 8.5202 117.7565 58.8407 29.4043 179.0962 39 T 3.8858 8.3084 111.3702 64.4128 68.8309 176.3386 40 L 3.6967 8.0626 123.1146 57.7595 41.5156 178.6715 41 E 4.0357 8.1691 118.0558 58.9529 29.0995 179.0631 42 K 4.3521 8.0760 117.5796 57.3573 32.5622 176.9802 43 F 4.2997 8.1133 118.8380 55.7169 37.9908 176.2351 44 D 4.4096 8.2912 126.4413 56.6308 41.1214 178.4989 45 R 4.1189 7.7942 119.1538 58.6588 30.4151 177.0287 46 F 5.1120 7.3183 112.4249 56.0592 38.4496 176.6399 47 K 3.8897 8.4565 125.0862 60.6695 32.0501 177.1556 48 H 4.4238 8.1992 112.2946 56.7767 28.9479 175.4737 49 L 3.9400 7.4952 121.6899 55.2218 41.6506 177.0031 50 K 4.2987 9.4711 123.7077 57.3401 33.1961 177.1080 51 T 4.7295 7.5152 107.7146 58.9591 73.0689 174.2683 52 E 3.8703 8.6382 121.0954 59.3437 29.5480 178.6816 53 A 3.9629 7.9255 120.4458 55.0800 18.2670 179.2905 54 E 3.8886 7.8078 116.0750 59.8561 29.8596 179.0899 55 M 4.0880 8.2299 118.8731 58.4366 31.7848 179.0553 56 K 3.9937 8.2531 117.6461 58.6517 32.2553 178.2342 57 A 4.4933 7.3273 118.1613 50.8693 19.4881 176.5532 58 S 4.3693 7.3585 114.7912 57.2655 63.2968 174.7249 59 E 3.9799 8.7544 128.5944 59.2711 29.4704 178.3260 60 D 4.4202 8.0238 118.7120 57.2192 40.9276 178.2676 61 L 3.1972 7.5423 120.8200 57.7158 41.9988 178.9811 62 K 3.8728 7.7969 119.1831 59.3141 32.1226 178.9829 63 K 4.0101 8.2025 118.8559 59.6870 31.8950 179.3529 64 T 4.0857 8.0939 116.1524 66.7481 68.4771 176.6844 65 G 3.6987 8.2625 107.6423 47.9602 0.0000 175.8294 66 V 3.6514 7.9531 120.4846 65.9875 31.5482 178.2440 67 T 3.9088 8.0236 115.5470 66.5764 68.2777 176.6705 68 V 3.6541 8.1993 120.3996 66.2173 31.5274 178.1578 69 L 4.2241 8.1224 118.6220 58.0931 41.4589 179.6078 70 T 3.9668 8.4412 115.9462 66.6946 68.2879 176.5981 71 A 4.0367 8.1197 122.7321 54.9434 18.2815 179.4940 72 L 3.7262 8.2544 119.2362 58.0587 42.1498 179.3510 73 G 3.3586 8.5512 105.8909 47.7586 0.0000 175.5338 74 A 4.0626 7.8285 121.9812 54.6063 18.5981 179.5068 75 I 3.8640 7.3020 118.5616 64.3976 37.3467 178.5032 76 L 4.0099 7.8951 120.0687 57.5358 41.1472 179.5962 77 K 3.9796 7.7164 117.3992 58.7318 32.2131 179.1473 78 K 3.8992 7.8437 118.9997 56.7213 31.9667 177.0431 79 K 2.0000 7.8321 117.0898 56.6802 29.4439 176.2588 80 G 4.0430 8.1235 107.4529 45.9475 0.0000 174.8260 81 H 5.0506 7.6939 118.1836 54.0073 27.2083 174.5659 82 H 5.2310 7.0597 112.2509 54.1901 30.0213 176.8174 83 E 3.8768 8.1496 120.7694 59.7863 29.1368 179.1210 84 A 4.0278 7.8824 119.0359 55.3636 18.5337 179.1353 85 E 4.0639 8.2034 116.4977 59.2848 29.5199 179.0818 86 L 4.1553 8.0568 120.5016 57.8009 42.1272 178.3698 87 K 3.9139 7.9240 119.1599 59.1221 31.9905 177.0634 88 P 4.2867 0.0000 0.0000 65.9744 31.0902 178.2123 89 L 3.9542 7.5034 116.5361 58.0344 42.0329 178.7742 90 A 4.2415 8.5141 121.1818 55.2162 18.3041 179.4317 91 Q 3.8549 8.2857 118.2839 59.4294 29.1357 178.6683 92 S 4.0608 8.1466 115.3119 61.6003 63.0494 175.9926 93 H 4.1133 8.5111 119.4583 58.0190 28.3164 177.3364 94 A 2.6235 7.9259 122.1412 53.7151 18.4189 178.7590 95 T 4.0023 7.3189 112.6309 64.7152 69.6809 176.1496 96 K 4.0048 7.4525 120.1522 59.1114 32.7741 177.3447 97 H 4.2667 7.9388 115.0666 56.4039 29.3104 175.0816 98 K 3.3555 7.5049 117.4653 56.6458 28.0763 174.1481 99 I 4.3533 8.0344 119.3198 58.4499 39.0349 174.7655 100 P 4.5356 0.0000 0.0000 62.2040 32.2325 177.3542 101 I 3.6103 8.1118 120.9550 64.3869 36.8614 178.4904 102 K 3.5641 7.9697 119.9811 59.9471 31.8726 178.1301 103 Y 4.1900 7.9201 116.6391 61.1425 37.7282 178.6853 104 L 4.2129 7.9885 119.4756 57.5778 41.7356 179.2438 105 E 3.9737 8.0294 118.7765 59.4609 29.5104 179.2116 106 F 4.4754 7.9050 117.8190 60.8862 38.8797 177.6612 107 I 3.8919 8.1562 118.0189 63.9373 37.7718 178.0663 108 S 4.2090 8.1600 116.4701 61.5714 62.6309 176.2112 109 E 4.0791 8.5103 121.8536 59.0318 29.3659 178.7033 110 A 4.0968 8.0282 120.9824 54.8477 18.4139 179.7239 111 I 3.6986 8.1869 118.8142 64.7865 37.2625 178.7940 112 I 3.8923 8.0070 120.5157 64.4816 36.8677 178.0761 113 H 4.2221 8.2799 119.4994 59.0103 29.6182 177.5749 114 V 3.5615 7.8901 120.1180 65.9095 31.3424 177.9098 115 L 3.7874 7.8017 118.7507 58.0163 41.1123 178.9272 116 H 4.3297 7.8721 116.7002 59.5141 29.8504 177.2020 117 S 4.1850 7.7583 115.5698 61.7628 62.7864 176.6339 118 R 3.9683 7.9978 119.6987 57.9694 31.4188 177.0581 119 H 5.0110 8.0293 115.2160 53.7862 28.3689 173.0556 120 P 4.3469 0.0000 0.0000 65.4556 32.0039 179.5280 121 G 3.7926 8.0868 106.3336 47.0088 0.0000 173.6189 122 N 4.9667 8.2433 115.2055 53.0402 39.8811 174.3653 123 F 5.0618 7.5861 119.1622 57.1194 39.8897 175.5505 124 G 3.8782 7.7078 108.5005 44.4742 0.0000 172.2067 125 A 3.8848 8.4099 120.5753 55.2362 18.3936 179.8479 126 D 4.1998 7.9464 116.7742 57.4469 40.9125 178.7111 127 A 3.9283 7.7746 120.8190 55.0220 18.3255 179.3288 128 Q 3.1718 7.9144 118.5977 58.7475 28.9968 178.5270 129 G 3.4855 8.0906 106.7557 47.6726 0.0000 175.5796 130 A 3.8776 8.0854 123.4242 54.9652 18.2989 179.4103 131 M 3.9853 8.3033 117.0485 58.8175 32.3051 177.9798 132 N 4.3193 8.5217 117.6205 56.4698 39.0029 176.7948 133 K 3.8712 8.0821 120.9567 59.4147 32.3092 178.7275 134 A 3.8303 8.0396 121.1729 55.0454 18.1530 179.5945 135 L 4.1824 8.2665 117.6967 57.7324 41.6624 179.4508 136 E 3.9753 8.5700 119.2545 59.0651 29.3495 178.9825 137 L 3.9313 8.2563 120.7597 58.1208 42.1637 178.5621 138 F 4.1242 8.2957 120.4614 61.6783 39.1913 177.2891 139 R 3.3506 8.2280 117.6799 58.9792 29.8219 179.0455 140 K 3.8344 8.2107 119.6053 59.5199 32.1635 178.6649 141 D 4.3677 8.0587 119.2709 57.0717 40.6652 178.8700 142 I 3.4959 7.5697 120.3584 64.1389 37.0195 178.2110 143 A 3.6322 7.9018 121.6581 55.0431 18.1910 179.5859 144 A 3.9856 7.9135 119.2862 55.1295 18.4442 180.0686 145 K 4.0407 8.0341 117.2389 59.5977 32.0172 179.0829 146 Y 4.3490 8.4128 117.5262 61.0414 37.8162 178.5525 147 K 3.9109 8.1775 120.3818 59.8745 32.1042 178.6859 148 E 4.0549 7.8915 116.6083 59.1103 29.4362 178.6783 149 L 4.3356 7.8528 117.1307 55.3243 41.9099 177.7063 150 G 4.0155 8.0637 107.4303 45.5327 0.0000 173.3914 151 Y 4.3295 7.9125 121.7844 58.6206 40.5743 177.1011 152 Q 3.1436 7.4586 114.3598 57.2638 26.5604 174.6769 153 G 3.0145 7.3812 114.7279 44.8727 0.0000 169.9223 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 0 M 8.30 4.45 0.00 2.13 2.14 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 2.48 2.54 0.00 1 V 7.83 4.21 2.09 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 0.83 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.32 0.00 1.12 0.74 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.66 4.54 0.00 4.06 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 4 E 8.86 4.29 0.00 2.20 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 2.44 2.53 0.00 5 G 8.10 3.65 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 0.00 0.00 0.00 6 E 7.91 3.94 0.00 1.89 1.72 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 2.22 2.26 0.00 7 W 7.99 4.34 0.00 3.55 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 8 Q 8.47 4.15 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 9 L 7.96 4.08 0.00 1.91 1.76 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.92 3.77 2.43 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 1.20 0.00 0.00 0.92 0.00 0.00 11 L 8.73 4.38 0.00 1.87 1.81 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.56 4.27 0.00 3.44 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 3.54 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 1.03 0.00 0.00 0.96 0.00 0.00 14 W 8.57 3.92 0.00 3.64 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 15 A 7.94 4.02 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 16 K 7.26 3.95 0.00 1.37 1.65 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 7.10 2.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.45 0.00 0.00 18 E 7.54 3.89 0.00 1.98 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 2.24 2.09 0.00 19 A 7.46 4.24 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 20 D 7.82 4.63 0.00 2.70 2.52 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 21 V 7.91 3.49 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 0.84 0.00 0.00 0.83 0.00 0.00 22 A 7.96 4.12 1.30 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 0.00 0.00 0.00 23 G 8.22 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 24 H 8.26 4.15 0.00 3.14 3.24 0.00 5.83 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 25 G 8.56 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 26 Q 8.12 3.88 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 27 D 7.96 4.34 0.00 2.84 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 I 7.79 3.66 1.92 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 1.53 0.72 0.90 0.00 0.00 29 L 7.67 3.48 0.00 1.50 1.25 0.91 0.63 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 30 I 7.72 3.71 1.89 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 1.42 0.57 0.89 0.00 0.00 31 R 7.99 3.85 0.00 1.95 2.14 0.00 3.00 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 L 7.92 3.89 0.00 1.64 1.35 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.92 4.71 0.00 3.08 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 34 K 8.42 4.15 0.00 1.65 1.84 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.72 7.81 35 S 8.06 4.36 0.00 3.81 3.54 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 0.00 0.00 0.00 0.00 36 H 8.45 4.67 0.00 2.95 2.80 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.53 0.00 2.17 2.12 0.00 3.83 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 2.10 1.99 0.00 38 E 8.52 4.39 0.00 2.30 2.30 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 2.35 2.41 0.00 39 T 8.31 3.89 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 0.77 0.00 0.00 40 L 8.06 3.70 0.00 1.35 1.76 0.29 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.17 4.04 0.00 2.40 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 2.35 2.38 0.00 42 K 8.08 4.35 0.00 1.74 1.63 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.92 7.81 43 F 8.11 4.30 0.00 2.76 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 0.00 0.00 0.00 44 D 8.29 4.41 0.00 2.58 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 45 R 7.79 4.12 0.00 1.66 1.69 0.00 3.24 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.68 0.00 46 F 7.32 5.11 0.00 3.09 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 47 K 8.46 3.89 0.00 1.92 1.91 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 48 H 8.20 4.42 0.00 3.33 3.47 0.00 5.59 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 49 L 7.50 3.94 0.00 1.60 1.59 0.80 0.71 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 50 K 9.47 4.30 0.00 1.77 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.57 7.81 51 T 7.52 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 1.20 0.00 0.00 52 E 8.64 3.87 0.00 2.05 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 2.36 2.36 0.00 53 A 7.93 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.81 3.89 0.00 2.12 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 2.33 2.34 0.00 55 M 8.23 4.09 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 56 K 8.25 3.99 0.00 1.80 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.41 7.81 57 A 7.33 4.49 1.30 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 0.00 0.00 0.00 58 S 7.36 4.37 0.00 3.78 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 59 E 8.75 3.98 0.00 2.11 1.93 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 2.37 2.45 0.00 60 D 8.02 4.42 0.00 2.92 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 61 L 7.54 3.20 0.00 0.87 1.46 0.72 0.47 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 62 K 7.80 3.87 0.00 1.83 1.73 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.45 7.81 63 K 8.20 4.01 0.00 1.91 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.79 7.81 64 T 8.09 4.09 4.54 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 0.00 0.00 0.00 1.49 0.00 0.00 65 G 8.26 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 66 V 7.95 3.65 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 8.02 3.91 4.52 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 1.30 0.00 0.00 68 V 8.20 3.65 2.31 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 1.13 0.00 0.00 1.16 0.00 0.00 69 L 8.12 4.22 0.00 1.83 1.87 0.93 0.75 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 70 T 8.44 3.97 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 1.26 0.00 0.00 71 A 8.12 4.04 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 72 L 8.25 3.73 0.00 1.69 1.75 0.28 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.55 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 0.00 0.00 0.00 74 A 7.83 4.06 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 75 I 7.30 3.86 1.82 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 1.53 0.62 0.85 0.00 0.00 76 L 7.90 4.01 0.00 1.27 1.60 -0.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.72 3.98 0.00 1.66 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.84 3.90 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.57 1.84 7.81 79 K 7.83 2.00 0.00 1.37 0.74 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.71 7.81 80 G 8.12 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 81 H 7.69 5.05 0.00 3.19 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.06 5.23 0.00 3.31 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.15 3.88 0.00 2.11 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 2.42 2.52 0.00 84 A 7.88 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.20 4.06 0.00 2.25 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 2.40 2.44 0.00 86 L 8.06 4.16 0.00 2.13 1.69 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.92 3.91 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.29 0.00 2.29 2.35 0.00 3.81 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 2.23 2.06 0.00 89 L 7.50 3.95 0.00 1.97 1.98 1.04 1.18 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 90 A 8.51 4.24 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 91 Q 8.29 3.85 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 92 S 8.15 4.06 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.51 4.11 0.00 3.61 3.59 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 94 A 7.93 2.62 0.60 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 95 T 7.32 4.00 4.16 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 1.10 0.00 0.00 96 K 7.45 4.00 0.00 1.52 1.59 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.34 7.81 97 H 7.94 4.27 0.00 2.96 3.15 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.50 3.36 0.00 1.79 1.81 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.30 7.81 99 I 8.03 4.35 2.10 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 1.37 0.96 1.13 0.00 0.00 100 P 0.00 4.54 0.00 1.97 1.99 0.00 3.03 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.46 0.00 101 I 8.11 3.61 1.78 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.79 0.00 0.00 102 K 7.97 3.56 0.00 1.71 1.66 0.00 1.03 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 0.53 7.81 103 Y 7.92 4.19 0.00 3.22 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 0.00 104 L 7.99 4.21 0.00 1.80 1.78 0.69 1.16 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 0.00 105 E 8.03 3.97 0.00 2.05 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 2.33 2.30 0.00 106 F 7.90 4.48 0.00 3.15 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 0.00 107 I 8.16 3.89 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 1.09 0.00 0.00 108 S 8.16 4.21 0.00 4.21 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 0.00 109 E 8.51 4.08 0.00 2.16 2.27 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 2.40 2.41 0.00 110 A 8.03 4.10 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 0.00 111 I 8.19 3.70 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 1.04 0.00 0.00 112 I 8.01 3.89 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.86 1.11 0.00 0.00 113 H 8.28 4.22 0.00 3.41 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.89 3.56 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 1.02 0.00 0.00 1.01 0.00 0.00 115 L 7.80 3.79 0.00 1.14 0.16 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.33 0.00 3.49 3.62 0.00 5.95 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 S 7.76 4.18 0.00 3.81 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 0.00 118 R 8.00 3.97 0.00 1.55 1.47 0.00 2.77 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 119 H 8.03 5.01 0.00 3.21 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.35 0.00 2.21 2.25 0.00 3.73 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 2.06 1.93 0.00 121 G 8.09 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.24 4.97 0.00 2.80 2.96 0.00 0.00 6.67 7.00 0.00 0.00 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 F 7.59 5.06 0.00 3.01 3.02 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 0.00 124 G 7.71 3.88 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 0.00 0.00 0.00 125 A 8.41 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.95 4.20 0.00 2.65 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 0.00 127 A 7.77 3.93 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 0.00 128 Q 7.91 3.17 0.00 1.12 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 129 G 8.09 3.49 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 0.00 130 A 8.09 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.30 3.99 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.91 0.00 132 N 8.52 4.32 0.00 2.88 2.82 0.00 0.00 6.86 6.96 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 0.00 133 K 8.08 3.87 0.00 1.98 1.64 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.38 7.81 134 A 8.04 3.83 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 0.00 135 L 8.27 4.18 0.00 1.77 1.84 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.57 3.98 0.00 2.12 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 2.34 2.57 0.00 137 L 8.26 3.93 0.00 1.86 1.98 1.09 1.21 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 0.00 138 F 8.30 4.12 0.00 3.13 3.23 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 0.00 139 R 8.23 3.35 0.00 1.90 1.80 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.94 0.00 140 K 8.21 3.83 0.00 1.76 1.88 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 141 D 8.06 4.37 0.00 2.87 2.69 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 0.00 142 I 7.57 3.50 1.28 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.13 0.16 0.00 0.00 143 A 7.90 3.63 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 0.00 144 A 7.91 3.99 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 0.00 145 K 8.03 4.04 0.00 2.08 1.94 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.41 4.35 0.00 3.30 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 0.00 147 K 8.18 3.91 0.00 2.00 1.91 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.89 4.05 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 149 L 7.85 4.34 0.00 1.78 1.70 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.06 4.02 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 0.00 151 Y 7.91 4.33 0.00 2.52 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 0.00 152 Q 7.46 3.14 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 153 G 7.38 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 0.00 0.00 0.00