NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2873 8.2027 121.7186 55.7344 29.4317 172.5333 2 V 4.3914 7.2038 120.0122 59.5562 34.5801 172.7370 3 Q 4.6066 9.6838 128.3570 54.4194 33.0816 173.0682 4 L 5.3044 8.6722 125.1847 53.1251 45.4833 175.2892 5 Q 4.3623 8.6670 123.1104 54.7710 32.2214 173.8036 6 E 4.9972 8.9723 126.3959 56.3330 30.9830 176.0772 7 S 4.6107 8.9769 116.0984 56.9218 66.9689 174.4662 8 G 4.2337 8.4507 108.5001 43.2681 0.0000 170.3699 9 P 4.2956 0.0000 0.0000 62.9284 31.6942 176.4010 10 G 4.0434 8.5919 107.4967 45.9642 0.0000 172.5652 11 L 5.4608 7.5485 121.7972 53.7243 45.4695 174.8506 12 M 4.7061 8.7375 121.2291 54.6892 35.0432 173.4654 13 K 5.0161 9.1675 119.1614 53.9802 34.9096 174.6457 14 P 4.6092 0.0000 0.0000 64.3576 31.7729 177.1751 15 S 4.1779 9.6449 116.3919 58.7491 63.7152 169.8332 16 E 4.3382 7.5943 120.4986 56.4689 31.0019 175.5636 17 T 4.8116 8.0852 117.3607 62.0083 70.0261 174.6543 18 L 4.1277 8.8793 129.7991 54.6733 43.5861 175.5016 19 S 4.7789 8.3451 119.7654 56.6689 64.9279 172.6890 20 L 5.0053 8.5407 126.5096 53.2309 45.7976 175.8105 21 T 5.1429 8.7481 116.5740 62.0382 73.4148 172.4224 22 C 5.1832 9.1037 123.6756 55.0931 44.4553 172.8483 23 S 4.9852 8.9140 123.3915 57.3744 64.3579 173.5673 24 V 4.9693 8.1885 123.9955 61.0767 33.7644 174.8992 25 S 4.6265 8.8072 120.7115 57.7702 66.2191 175.1337 26 G 3.9316 10.6688 109.3137 46.7066 0.0000 172.4162 27 D 4.6663 7.3523 116.5527 52.9502 44.3960 173.8105 28 S 4.6410 8.5551 118.1764 56.7507 63.4135 174.9705 29 I 3.6250 8.4571 128.3531 63.9262 37.8754 176.5480 30 R 4.4440 8.0729 113.8426 57.0833 29.7426 176.5509 31 S 4.8366 7.6543 115.4955 58.1681 63.5314 172.8163 32 D 4.2881 7.8562 118.1333 54.4737 44.0137 173.4841 33 Y 4.8658 7.3195 116.9316 56.0625 40.4350 175.2699 34 W 5.1358 8.9173 122.0612 55.0048 33.1667 174.6351 35 S 5.7111 9.4030 118.6767 56.7231 67.2397 172.8617 36 W 5.5216 9.2594 120.2128 55.2726 32.7227 174.8940 37 I 5.2523 9.5329 123.8699 59.6937 41.4456 174.3562 38 R 4.9617 9.0210 120.1952 54.6654 33.6279 174.2532 39 Q 4.9926 8.7840 120.6211 52.7814 31.7932 172.7414 40 P 4.7445 0.0000 0.0000 61.4324 32.1832 174.5858 41 P 4.2927 0.0000 0.0000 64.4107 31.5201 176.9865 42 G 3.8943 8.9836 109.8459 45.7714 0.0000 172.5116 43 K 4.7161 7.9981 118.7921 54.1319 35.6808 175.1880 44 G 4.0510 8.1887 108.6804 45.4514 0.0000 172.0587 45 L 4.9768 8.3575 119.9222 53.0605 43.8549 175.2760 46 E 4.7491 8.9783 123.2434 54.3661 32.5778 174.0033 47 Y 4.3781 8.9365 128.9222 58.0956 39.1826 175.0890 48 I 4.2208 9.2359 128.4013 62.5217 38.7810 176.3661 49 G 5.0342 7.9566 107.3713 47.1951 0.0000 170.0358 50 Y 5.9339 8.2816 117.0641 55.8706 42.0721 174.1522 51 V 4.9322 9.1947 120.0108 60.0953 34.5858 175.8356 52 S 4.0420 8.5287 119.1976 56.0454 65.0259 174.3217 53 Y 4.1197 7.6383 117.7463 60.3950 37.3232 177.6533 54 S 3.5062 7.4680 113.3122 58.6562 63.0792 174.9116 55 G 3.8947 7.9444 109.9912 44.7788 0.0000 174.3067 56 S 4.0497 7.5520 115.0788 58.2597 63.7172 173.1050 57 T 4.7642 7.5501 112.1106 60.0716 71.8086 172.8698 58 Y 4.2498 7.8432 119.2366 56.5099 41.8011 173.9868 59 Y 5.5580 8.3583 121.2480 55.8761 41.6956 175.0161 60 N 4.6557 9.3134 122.2609 53.0874 39.7415 174.4100 61 P 4.4700 0.0000 0.0000 65.1969 31.2552 178.5874 62 S 4.3199 8.5700 112.5812 60.5511 63.0559 175.4428 63 L 4.2862 8.1696 121.6168 53.6782 42.6998 175.8695 64 K 3.8863 8.2953 117.9771 58.8657 29.6994 174.6255 65 S 3.7447 7.7524 105.6759 59.6544 61.2990 174.0336 66 R 4.3370 7.6088 117.9587 56.1167 30.7092 176.2768 67 V 4.7871 7.1326 117.5943 60.2128 33.6715 175.5069 68 T 4.5407 8.6884 119.0991 61.8519 72.4985 172.8585 69 I 5.3668 8.9579 126.4915 59.6859 40.3464 175.0188 70 S 4.9135 9.1721 119.8246 56.8027 67.0978 172.7200 71 V 4.7116 8.4869 119.7492 61.3330 33.8874 175.0313 72 D 4.9527 9.1072 128.1494 52.0271 40.5581 176.1269 73 T 3.9267 8.3728 114.4050 64.0089 69.2734 177.5505 74 S 4.1123 8.2545 115.8595 60.4196 63.1357 174.9665 75 K 4.3658 8.1005 117.8334 54.9909 32.7475 175.7462 76 N 4.0978 7.7715 116.6771 53.7408 37.7944 172.7181 77 R 5.1239 7.6279 113.5758 55.2261 33.9966 175.0398 78 F 5.5260 8.9541 114.1316 55.4141 42.0783 173.6073 79 S 5.3513 9.5992 115.2318 56.7464 67.4729 172.6380 80 L 4.9022 8.5865 122.4151 53.0737 45.2115 174.9975 81 K 4.7861 8.9781 126.5079 54.4737 35.7678 174.4483 82 L 4.9798 8.7078 128.9311 53.3197 44.6825 175.6589 83 N 4.6778 8.8728 124.2367 51.9730 39.7712 175.6587 84 S 3.8359 8.0634 113.1198 58.8147 60.4451 173.0414 85 V 4.1328 7.6882 115.1919 61.4423 32.7160 176.4006 86 T 4.7664 8.7622 111.4030 59.7677 72.1459 174.3539 87 A 3.9067 8.6472 122.4816 55.3570 18.2954 179.4116 88 A 4.1682 7.6273 117.0062 54.3881 18.4083 177.6965 89 D 4.8198 7.9434 114.4451 54.2958 41.5254 176.8229 90 T 4.3499 7.9259 117.6296 63.6463 68.9230 173.7405 91 A 4.3372 8.4657 127.3321 51.6321 23.7665 174.9012 92 V 4.3138 7.9151 119.8023 62.5872 32.9873 174.3248 93 Y 4.9570 9.1294 126.2857 56.7048 40.1100 174.2792 94 Y 5.6276 9.9550 122.8118 56.3790 41.5985 172.3704 95 C 4.8593 8.8378 116.5322 53.9032 42.8307 172.2464 96 A 4.8610 8.2666 120.3075 50.8209 22.8354 175.5279 97 R 4.1463 8.9432 120.5877 55.6712 30.8666 176.9745 98 W 4.3895 8.5464 135.0000 60.8239 30.5761 177.0126 99 D 3.9081 8.2224 116.7583 54.3648 38.4556 177.1369 100 G 4.0916 8.4755 109.6245 45.4153 0.0000 175.1470 101 D 4.3323 8.2405 119.2322 56.6776 41.1309 176.5337 102 Y 5.0095 7.7372 112.9363 55.9949 41.6421 174.3189 103 W 5.3075 8.9679 122.9521 54.6415 32.8860 175.6335 104 G 4.1132 9.1867 110.7929 44.9912 0.0000 173.4872 105 Q 4.3931 8.8554 115.6146 56.0270 29.3538 176.7629 106 G 3.7491 9.1508 104.9039 45.8143 0.0000 172.6794 107 I 4.5798 8.1624 120.1983 58.6676 41.1221 173.9471 108 L 4.4879 8.6220 131.6858 54.8675 43.5258 175.2269 109 V 4.7683 8.9666 126.5913 61.5570 34.2208 174.0757 110 T 4.7879 8.9187 125.6663 61.8784 70.8855 173.9475 111 V 4.1013 8.5849 127.9807 61.9382 31.5829 175.1995 112 S 4.6022 8.4996 124.9630 56.4013 63.6243 174.7308 113 S 4.2260 8.6427 118.7776 58.5637 62.1042 173.8006 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 Q 8.20 4.29 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 2 V 7.20 4.39 0.67 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 0.65 0.00 0.00 0.65 0.00 0.00 3 Q 9.68 4.61 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 4 L 8.67 5.30 0.00 1.77 1.56 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.67 4.36 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 6 E 8.97 5.00 0.00 1.96 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 2.66 2.38 0.00 7 S 8.98 4.61 0.00 3.84 3.90 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 8 G 8.45 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 0.00 0.00 0.00 0.00 9 P 0.00 4.30 0.00 2.13 2.02 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 10 G 8.59 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 11 L 7.55 5.46 0.00 1.57 1.46 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.74 4.71 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 13 K 9.17 5.02 0.00 1.68 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.38 7.81 14 P 0.00 4.61 0.00 1.92 1.99 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 15 S 9.64 4.18 0.00 4.12 4.27 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 16 E 7.59 4.34 0.00 1.94 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 0.00 2.30 2.41 0.00 17 T 8.09 4.81 4.18 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 0.00 0.00 1.19 0.00 0.00 18 L 8.88 4.13 0.00 1.50 1.47 0.30 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.35 4.78 0.00 3.74 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 20 L 8.54 5.01 0.00 0.88 1.30 0.48 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.75 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 1.23 0.00 0.00 22 C 9.10 5.18 0.00 2.17 1.69 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 23 S 8.91 4.99 0.00 3.77 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 24 V 8.19 4.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.42 0.00 0.00 25 S 8.81 4.63 0.00 3.87 3.87 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 26 G 10.67 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 0.00 0.00 0.00 27 D 7.35 4.67 0.00 2.63 2.66 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 28 S 8.56 4.64 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.46 3.62 1.70 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.53 0.92 0.00 0.00 30 R 8.07 4.44 0.00 2.06 2.11 0.00 3.08 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 31 S 7.65 4.84 0.00 4.09 3.94 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 32 D 7.86 4.29 0.00 2.53 1.67 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 33 Y 7.32 4.87 0.00 2.50 2.51 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 34 W 8.92 5.14 0.00 2.40 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 35 S 9.40 5.71 0.00 3.62 3.86 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 36 W 9.26 5.52 0.00 3.47 3.20 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 37 I 9.53 5.25 1.91 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.03 1.09 0.00 0.00 38 R 9.02 4.96 0.00 1.02 1.34 0.00 2.33 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 39 Q 8.78 4.99 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 40 P 0.00 4.74 0.00 2.22 1.95 0.00 3.80 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 2.11 2.08 0.00 41 P 0.00 4.29 0.00 2.05 2.03 0.00 3.79 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 2.05 2.11 0.00 42 G 8.98 3.89 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 0.00 0.00 0.00 43 K 8.00 4.72 0.00 1.86 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.49 7.81 44 G 8.19 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 0.00 0.00 0.00 0.00 45 L 8.36 4.98 0.00 1.72 1.71 0.87 0.83 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 46 E 8.98 4.75 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 47 Y 8.94 4.38 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 48 I 9.24 4.22 2.27 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 1.12 0.00 0.00 49 G 7.96 5.03 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 0.00 0.00 0.00 50 Y 8.28 5.93 0.00 3.47 3.43 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 51 V 9.19 4.93 2.22 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 1.05 0.00 0.00 1.00 0.00 0.00 52 S 8.53 4.04 0.00 2.73 3.37 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 53 Y 7.64 4.12 0.00 3.17 3.21 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 54 S 7.47 3.51 0.00 3.65 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 55 G 7.94 3.89 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 0.00 0.00 0.00 56 S 7.55 4.05 0.00 3.65 3.82 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 0.00 0.00 0.00 0.00 57 T 7.55 4.76 3.28 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 1.22 0.00 0.00 58 Y 7.84 4.25 0.00 2.27 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 59 Y 8.36 5.56 0.00 2.90 2.79 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 60 N 9.31 4.66 0.00 3.23 2.86 0.00 0.00 7.24 8.04 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 61 P 0.00 4.47 0.00 2.26 2.14 0.00 3.74 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 62 S 8.57 4.32 0.00 4.07 4.11 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 63 L 8.17 4.29 0.00 1.87 1.74 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.30 3.89 0.00 1.88 1.83 0.00 1.89 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.55 7.81 65 S 7.75 3.74 0.00 3.95 3.89 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 66 R 7.61 4.34 0.00 1.86 1.88 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 67 V 7.13 4.79 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 0.26 0.00 0.00 0.77 0.00 0.00 68 T 8.69 4.54 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 1.23 0.00 0.00 69 I 8.96 5.37 2.29 0.00 0.00 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 1.62 0.99 1.46 0.00 0.00 70 S 9.17 4.91 0.00 3.94 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 71 V 8.49 4.71 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 0.89 0.00 0.00 1.07 0.00 0.00 72 D 9.11 4.95 0.00 2.73 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 73 T 8.37 3.93 4.27 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 1.25 0.00 0.00 74 S 8.25 4.11 0.00 4.00 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 0.00 75 K 8.10 4.37 0.00 1.78 1.82 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.33 7.81 76 N 7.77 4.10 0.00 2.80 2.71 0.00 0.00 6.74 7.51 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 77 R 7.63 5.12 0.00 1.87 1.92 0.00 2.75 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 78 F 8.95 5.53 0.00 3.50 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.60 5.35 0.00 3.75 3.83 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 80 L 8.59 4.90 0.00 0.27 0.13 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.98 4.79 0.00 1.68 1.46 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.24 7.81 82 L 8.71 4.98 0.00 1.58 1.30 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.87 4.68 0.00 2.61 2.70 0.00 0.00 7.32 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 84 S 8.06 3.84 0.00 3.90 3.83 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 85 V 7.69 4.13 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 0.74 0.00 0.00 0.99 0.00 0.00 86 T 8.76 4.77 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 1.21 0.00 0.00 87 A 8.65 3.91 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 88 A 7.63 4.17 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 89 D 7.94 4.82 0.00 2.84 2.84 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 90 T 7.93 4.35 4.37 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 1.24 0.00 0.00 91 A 8.47 4.34 1.03 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 0.00 0.00 92 V 7.92 4.31 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 0.46 0.00 0.00 0.90 0.00 0.00 93 Y 9.13 4.96 0.00 3.01 3.08 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 0.00 0.00 0.00 94 Y 9.95 5.63 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.84 4.86 0.00 2.27 1.18 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 0.00 0.00 0.00 96 A 8.27 4.86 0.03 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 0.00 0.00 97 R 8.94 4.15 0.00 2.08 1.94 0.00 3.10 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 98 W 8.55 4.39 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.22 3.91 0.00 2.69 2.79 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 0.00 100 G 8.48 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 0.00 0.00 0.00 101 D 8.24 4.33 0.00 2.74 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 0.00 0.00 0.00 0.00 102 Y 7.74 5.01 0.00 3.14 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.97 5.31 0.00 3.14 3.15 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 0.00 104 G 9.19 4.11 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 0.00 0.00 0.00 105 Q 8.86 4.39 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 106 G 9.15 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 0.00 0.00 0.00 107 I 8.16 4.58 1.91 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 1.13 1.66 1.00 0.00 0.00 108 L 8.62 4.49 0.00 1.82 1.54 1.00 0.83 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 0.00 109 V 8.97 4.77 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 0.83 0.00 0.00 0.83 0.00 0.00 110 T 8.92 4.79 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 0.00 111 V 8.58 4.10 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 0.75 0.00 0.00 0.97 0.00 0.00 112 S 8.50 4.60 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.64 4.23 0.00 3.82 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