NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.4102 8.0385 120.6274 54.3917 43.7306 178.7920 23 A 3.8047 8.2276 122.5449 55.2231 18.4571 177.9146 24 D 4.3659 9.2427 118.7507 57.4021 41.1966 177.5755 25 S 4.1887 8.5021 115.8337 61.4921 62.7844 176.8224 26 K 3.9466 8.1311 120.9419 59.4826 31.8380 179.2539 27 A 4.0107 8.1211 121.2299 55.1190 18.3152 180.0942 28 V 3.7143 8.1486 117.8553 64.7238 31.6264 178.4772 29 L 4.2140 8.4718 120.1231 57.9469 41.5108 179.1277 30 N 4.3357 8.4559 116.8815 56.4600 38.8023 176.5356 31 Q 4.2236 8.4117 120.9788 59.4190 29.0778 178.4524 32 A 4.2508 8.3849 121.6513 55.0522 18.4500 179.5274 33 V 3.6134 8.0830 116.6265 66.2479 31.5953 177.8728 34 A 4.1776 8.5158 120.1955 55.7124 18.3124 179.4326 35 D 4.3856 8.7882 117.5049 57.4247 40.8413 179.0431 36 L 4.1264 8.8394 120.0836 57.9410 41.6728 179.7214 37 S 3.8952 7.8652 115.0608 61.5268 62.5521 177.0217 38 V 3.6107 7.8157 120.7205 65.7972 31.1856 177.8446 39 A 3.9964 8.6369 120.9744 55.3443 18.1575 179.0206 40 H 4.0064 8.6023 117.0415 59.4763 29.9489 177.1678 41 S 4.0419 7.8464 114.3462 61.6646 62.1476 176.2947 42 I 3.6645 7.9194 122.3089 64.4239 36.8471 178.4875 43 L 3.9430 8.1571 120.1194 57.8845 41.4098 178.9952 44 H 3.6189 8.0914 118.3218 59.0588 29.5955 177.0517 45 Q 4.2089 7.9841 121.3905 59.2283 28.9961 178.4171 46 V 3.6191 7.9281 119.2989 66.1710 31.3288 177.2864 47 H 4.1292 8.0104 116.7575 59.3549 29.7504 176.9719 48 W 4.6760 8.1501 119.0751 59.6250 29.2105 177.4671 49 Y 4.2577 8.4806 114.6826 57.0244 37.8036 175.3242 50 M 4.3493 7.6817 120.5565 55.9991 32.8877 175.6152 51 R 4.6692 8.9647 123.5949 55.2734 34.5388 173.7545 52 G 4.1850 9.0797 106.5928 43.1304 0.0000 173.4196 53 R 4.1244 8.4242 119.1789 57.9304 30.3863 177.5381 54 G 4.2215 9.5147 110.9235 45.2300 0.0000 174.8018 55 F 4.0411 8.7308 122.2889 62.0547 39.0385 176.9670 56 M 4.3741 8.2843 115.2431 58.0679 31.9522 177.1451 57 I 3.7783 7.5604 118.1672 62.9214 38.6763 177.2323 58 W 4.1236 8.1599 119.4816 58.8660 28.3613 178.2771 59 H 3.9271 8.3010 119.2697 58.6739 29.1142 175.6225 60 P 4.3723 0.0000 0.0000 65.2948 31.2150 177.9337 61 K 3.4484 7.4265 119.3086 59.7786 31.9240 178.4379 62 M 4.0735 7.8324 118.3864 58.4232 31.7393 178.3337 63 D 4.2010 7.3473 119.3945 57.3645 40.9778 178.6960 64 E 3.8723 7.6782 118.7630 59.7544 29.3852 179.1334 65 Y 4.4659 7.6077 116.5847 61.3665 37.9305 178.5427 66 M 4.1671 8.7593 122.5361 59.0288 32.0607 179.1121 67 E 3.9497 8.3956 118.7477 61.2804 29.9431 180.7067 68 E 3.8939 8.2030 120.4703 58.9478 29.6231 178.9895 69 I 3.7778 8.0493 120.2269 64.5018 37.1787 178.0756 70 D 4.3863 8.6274 120.2975 57.3252 40.5693 179.2104 71 G 3.4793 7.9217 106.2990 47.7516 0.0000 175.5250 72 Y 4.2879 7.3398 118.5847 60.7160 37.8599 177.9436 73 L 4.0779 8.1320 121.4071 58.4792 42.2023 178.6314 74 D 4.3157 8.0585 117.6809 57.2859 41.1770 177.8493 75 E 3.9103 8.1617 119.8413 59.5664 29.6927 178.7454 76 M 3.9253 8.5808 119.1441 58.2988 31.9702 178.7127 77 S 4.1213 8.5245 113.8065 61.3621 62.6323 175.7737 78 E 4.1273 8.3190 120.4469 58.1510 29.2505 179.0747 79 R 3.8186 7.8875 119.5805 59.0841 30.1050 177.7960 80 L 3.8943 7.8538 120.1911 58.4231 41.9444 178.9733 81 I 3.8180 7.8287 119.3797 64.9558 36.8690 178.4957 82 T 3.8880 7.7578 114.9601 66.5254 68.3567 175.8098 83 L 4.3284 7.9647 118.2969 55.0505 41.7928 177.6430 84 G 3.8167 8.3532 108.0277 45.5073 0.0000 173.9318 85 G 3.8282 7.8476 109.1938 43.7984 0.0000 174.0769 86 A 4.4310 7.9290 121.1518 49.2968 19.8627 174.1155 87 P 4.4720 0.0000 0.0000 62.8207 32.2566 176.9169 88 F 4.6675 8.6569 119.8727 58.9072 39.1926 176.3039 89 S 4.8316 9.0159 119.8845 57.1421 63.7742 174.3155 90 T 4.5093 6.8603 109.7054 59.7997 72.9977 173.7387 91 L 4.0536 8.2270 122.0416 57.8356 41.6848 179.7861 92 K 3.9036 7.7909 119.1766 59.4077 32.2472 178.6164 93 E 3.6825 7.7172 118.4256 59.2662 29.4458 179.1725 94 F 4.4464 7.5889 117.7838 60.9461 38.8012 177.7891 95 S 4.1702 8.0710 111.3377 61.0707 62.2846 175.3825 96 E 4.2055 7.9445 119.9400 58.0721 29.6016 177.7459 97 N 4.4747 7.7716 115.1057 53.6217 39.2780 175.6662 98 S 4.4847 7.2833 114.6991 58.2913 62.9710 173.8403 99 Q 4.2623 8.7215 124.3399 56.2597 29.1708 176.3453 100 L 3.9640 7.2557 118.8034 54.0000 42.3460 176.2831 101 K 4.5159 8.2598 121.7896 54.6874 33.9937 175.5824 102 E 4.6453 8.4920 122.1939 54.6877 31.5267 175.6770 103 V 4.4879 7.7816 114.4522 58.7622 35.0660 175.5823 104 L 3.9344 8.3629 121.3382 54.7672 41.9309 177.9355 105 G 2.5778 8.0930 111.4951 45.6108 0.0000 172.5177 106 D 4.4383 7.2664 120.9946 52.7525 43.8795 175.0175 107 Y 4.8940 8.7407 123.6679 59.8867 38.2739 176.5566 108 N 4.6008 8.2964 116.3494 54.7145 39.1458 175.8793 109 V 3.6551 7.9329 116.9810 63.5739 32.0479 176.2897 110 T 4.2215 8.5058 116.6991 61.2430 70.7029 175.6857 111 I 3.6912 8.3328 122.8095 64.8984 37.1788 178.3972 112 E 3.8257 8.1009 118.5459 59.5219 29.2693 179.1991 113 E 3.9447 8.4114 118.7276 59.3208 29.4608 179.4476 114 Q 3.9079 8.0895 118.0510 59.0000 28.7786 178.7599 115 L 3.6495 7.9360 119.9423 57.6373 41.4919 179.5267 116 A 3.8497 7.9068 120.6460 54.9388 18.2621 179.4797 117 R 3.7122 8.2079 117.6811 59.6665 30.0554 178.8412 118 V 3.1927 7.6493 117.8523 65.6900 31.3672 177.9454 119 V 3.4363 7.6075 117.9697 66.0646 31.3353 177.6189 120 E 3.9208 8.1516 118.1799 59.5242 29.2689 179.4195 121 V 3.6371 7.7715 117.9802 66.3658 31.5037 178.1240 122 F 4.4116 8.5705 117.6980 60.6028 38.7210 177.9044 123 R 3.9305 8.8131 118.1521 59.3071 29.7939 178.2833 124 Y 3.9779 8.1371 119.2259 60.8214 38.7233 178.1710 125 L 3.3595 8.2241 119.7249 57.5483 41.5736 179.4431 126 A 3.8279 8.0838 120.6506 55.0992 18.3530 179.5898 127 A 3.7717 7.7463 119.2427 55.0810 18.3252 179.6404 128 L 3.6078 7.5207 119.1677 58.1719 42.0736 179.2652 129 F 4.3188 8.0361 118.2110 60.3138 38.6692 177.4024 130 Q 3.9310 8.2549 119.5505 59.2244 28.8316 178.5692 131 K 3.9795 8.0127 119.5463 59.2340 32.0203 179.4375 132 G 2.3986 7.7247 106.1199 47.2805 0.0000 175.1790 133 F 4.0348 8.3321 123.7794 61.1196 39.3542 176.8901 134 D 4.3913 8.4867 118.4734 57.4282 40.6832 178.9087 135 V 3.5615 8.0398 119.2530 66.1798 31.3427 178.2600 136 S 4.4093 7.9657 115.2251 60.7271 63.0306 175.8741 137 D 4.1021 7.9619 121.7575 56.9630 40.6840 177.8134 138 E 3.9133 8.0055 118.8265 59.2834 29.8337 178.0535 139 E 4.2701 7.9917 115.3142 56.2240 29.7407 177.6003 140 G 3.8405 7.5081 106.6815 46.5103 0.0000 175.2051 141 D 4.5920 7.6966 121.5629 52.7665 39.1686 176.5976 142 S 4.1044 8.0830 119.9600 60.5465 63.3902 176.7521 143 V 3.5056 7.6006 121.6434 66.2873 31.4692 177.9593 144 T 3.7199 7.9752 115.0197 66.3353 68.2647 175.7079 145 N 4.3271 7.9584 120.3349 56.2322 38.8435 176.3835 146 D 4.3789 8.0700 119.1146 57.2598 41.2699 178.0294 147 I 3.5317 7.6897 120.3333 64.6033 37.0270 178.4572 148 F 3.9518 7.9219 118.3568 60.2559 38.7074 177.3340 149 N 4.3362 8.5463 116.9040 56.6980 38.6779 177.1406 150 V 3.5531 8.0933 119.7454 65.9384 31.6074 177.9060 151 A 3.5273 7.3770 121.4491 54.1041 17.8787 179.4358 152 K 4.0054 8.2032 118.3329 59.6119 32.3696 178.6908 153 A 3.9603 7.9747 120.9778 55.3845 18.3195 179.6460 154 S 4.0679 7.8763 111.5545 61.4590 62.5180 176.2075 155 I 3.5257 7.9131 122.5960 64.5184 36.7980 178.2152 156 E 4.0273 8.4366 119.4184 59.1627 29.2548 179.2012 157 K 4.1913 8.0629 119.4570 60.1200 32.2833 178.4716 158 H 4.4206 8.3031 116.2925 58.9535 28.5325 177.7766 159 I 3.7860 8.0680 121.6188 64.1667 36.9140 177.8423 160 W 4.5076 8.4496 129.1718 61.1534 30.4608 177.7991 161 M 3.2840 7.7823 118.0113 58.1362 31.3744 178.7840 162 L 3.9873 8.5377 119.3035 58.0420 41.8325 179.7065 163 Q 3.9918 8.4888 118.0380 58.7835 28.6295 178.6820 164 A 4.1850 8.3041 122.1932 55.1083 18.2007 179.1297 165 E 4.0029 7.9794 116.8076 59.4816 29.7911 178.4365 166 L 4.3114 7.5436 115.2537 54.6992 41.5360 177.5869 167 G 3.9407 7.9674 106.8188 45.9809 0.0000 173.5302 168 Q 4.6736 8.2992 117.0569 53.0458 32.0726 175.4057 169 A 4.3333 8.3322 122.2672 51.6204 19.1039 176.3362 170 P 4.3518 0.0000 0.0000 64.1703 32.1290 177.4160 171 K 3.8044 8.0614 115.1964 57.3766 29.3575 174.5882 172 L 4.1865 7.5902 120.4873 55.1148 41.5149 177.8041 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 22 L 8.04 4.41 0.00 1.72 1.74 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.23 3.80 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 24 D 9.24 4.37 0.00 2.90 2.72 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 25 S 8.50 4.19 0.00 4.03 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 26 K 8.13 3.95 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.66 7.81 27 A 8.12 4.01 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 28 V 8.15 3.71 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 0.97 0.00 0.00 0.81 0.00 0.00 29 L 8.47 4.21 0.00 1.91 1.80 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.46 4.34 0.00 2.72 2.57 0.00 0.00 6.88 6.82 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 31 Q 8.41 4.22 0.00 2.49 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.73 0.00 32 A 8.38 4.25 1.75 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 33 V 8.08 3.61 2.49 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 1.30 0.00 0.00 1.02 0.00 0.00 34 A 8.52 4.18 1.59 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 0.00 0.00 0.00 35 D 8.79 4.39 0.00 2.85 2.96 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 36 L 8.84 4.13 0.00 1.80 1.81 1.22 1.40 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 37 S 7.87 3.90 0.00 3.48 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 38 V 7.82 3.61 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 1.06 0.00 0.00 0.97 0.00 0.00 39 A 8.64 4.00 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 40 H 8.60 4.01 0.00 3.33 3.52 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.85 4.04 0.00 3.98 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 42 I 7.92 3.66 1.97 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 1.48 0.57 0.85 0.00 0.00 43 L 8.16 3.94 0.00 1.76 1.66 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.09 3.62 0.00 2.99 2.53 0.00 5.59 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 45 Q 7.98 4.21 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 46 V 7.93 3.62 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 0.96 0.00 0.00 1.01 0.00 0.00 47 H 8.01 4.13 0.00 3.12 3.24 0.00 6.00 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 48 W 8.15 4.68 0.00 3.49 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 49 Y 8.48 4.26 0.00 3.18 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 M 7.68 4.35 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.80 0.00 51 R 8.96 4.67 0.00 2.06 1.80 0.00 3.33 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 52 G 9.08 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 53 R 8.42 4.12 0.00 1.87 1.97 0.00 3.38 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 54 G 9.51 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 0.00 0.00 0.00 55 F 8.73 4.04 0.00 3.40 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 56 M 8.28 4.37 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 57 I 7.56 3.78 1.67 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.30 0.56 0.00 0.00 58 W 8.16 4.12 0.00 3.52 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 59 H 8.30 3.93 0.00 1.85 2.51 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.37 0.00 2.17 2.22 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 61 K 7.43 3.45 0.00 1.61 1.93 0.00 1.08 0.00 0.00 1.08 0.00 0.00 2.84 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.09 0.61 7.81 62 M 7.83 4.07 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.05 0.00 63 D 7.35 4.20 0.00 2.93 2.61 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 64 E 7.68 3.87 0.00 1.77 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 2.21 2.33 0.00 65 Y 7.61 4.47 0.00 3.27 3.12 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 66 M 8.76 4.17 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 67 E 8.40 3.95 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 68 E 8.20 3.89 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.80 0.00 69 I 8.05 3.78 2.09 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 1.92 0.86 1.02 0.00 0.00 70 D 8.63 4.39 0.00 2.83 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 71 G 7.92 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.34 4.29 0.00 3.22 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 73 L 8.13 4.08 0.00 1.85 1.92 0.88 0.88 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 74 D 8.06 4.32 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.91 0.00 2.15 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 2.22 2.30 0.00 76 M 8.58 3.93 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.07 0.00 77 S 8.52 4.12 0.00 3.94 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 78 E 8.32 4.13 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 79 R 7.89 3.82 0.00 1.93 1.96 0.00 3.11 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 80 L 7.85 3.89 0.00 1.85 1.88 0.92 0.72 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 81 I 7.83 3.82 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.91 0.00 0.00 82 T 7.76 3.89 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 1.19 0.00 0.00 83 L 7.96 4.33 0.00 1.74 1.69 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.35 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 0.00 0.00 0.00 85 G 7.85 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 0.00 0.00 0.00 86 A 7.93 4.43 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 0.00 0.00 87 P 0.00 4.47 0.00 2.27 2.07 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 88 F 8.66 4.67 0.00 3.34 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 89 S 9.02 4.83 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 90 T 6.86 4.51 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 1.18 0.00 0.00 91 L 8.23 4.05 0.00 1.72 1.83 1.01 1.06 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 92 K 7.79 3.90 0.00 1.74 1.72 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 93 E 7.72 3.68 0.00 1.88 1.61 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 2.29 2.27 0.00 94 F 7.59 4.45 0.00 3.25 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 95 S 8.07 4.17 0.00 4.06 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 96 E 7.94 4.21 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 97 N 7.77 4.47 0.00 2.22 2.67 0.00 0.00 6.95 6.88 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 98 S 7.28 4.48 0.00 4.02 3.74 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 99 Q 8.72 4.26 0.00 1.74 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 100 L 7.26 3.96 0.00 1.53 1.45 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.26 4.52 0.00 1.63 1.65 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.45 7.81 102 E 8.49 4.65 0.00 1.92 1.83 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 2.20 2.28 0.00 103 V 7.78 4.49 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 0.70 0.00 0.00 0.85 0.00 0.00 104 L 8.36 3.93 0.00 1.55 1.52 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.09 2.58 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 0.00 106 D 7.27 4.44 0.00 2.44 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 0.00 0.00 0.00 0.00 107 Y 8.74 4.89 0.00 3.10 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 0.00 108 N 8.30 4.60 0.00 2.80 2.92 0.00 0.00 6.86 7.09 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 0.00 109 V 7.93 3.66 2.10 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 0.84 0.00 0.00 0.98 0.00 0.00 110 T 8.51 4.22 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 I 8.33 3.69 1.88 0.00 0.00 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 1.89 1.18 0.83 0.00 0.00 112 E 8.10 3.83 0.00 1.96 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 2.36 2.39 0.00 113 E 8.41 3.94 0.00 2.13 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 2.30 2.32 0.00 114 Q 8.09 3.91 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 115 L 7.94 3.65 0.00 1.50 1.28 -0.13 -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 0.00 0.00 0.00 0.00 116 A 7.91 3.85 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 0.00 117 R 8.21 3.71 0.00 1.88 2.06 0.00 3.08 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 118 V 7.65 3.19 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 -0.08 0.00 0.00 0.81 0.00 0.00 119 V 7.61 3.44 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.84 0.00 0.00 120 E 8.15 3.92 0.00 2.17 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 2.31 2.45 0.00 121 V 7.77 3.64 2.13 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 1.25 0.00 0.00 0.93 0.00 0.00 122 F 8.57 4.41 0.00 3.21 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 0.00 123 R 8.81 3.93 0.00 1.98 2.00 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 124 Y 8.14 3.98 0.00 3.07 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 0.00 125 L 8.22 3.36 0.00 1.57 0.84 1.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.08 3.83 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 0.00 127 A 7.75 3.77 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.52 3.61 0.00 1.00 1.24 0.85 1.18 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 0.00 129 F 8.04 4.32 0.00 3.12 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 0.00 130 Q 8.25 3.93 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 131 K 8.01 3.98 0.00 1.70 1.75 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.44 7.81 132 G 7.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.33 4.03 0.00 3.22 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 0.00 134 D 8.49 4.39 0.00 2.85 2.72 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 0.00 135 V 8.04 3.56 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 1.06 0.00 0.00 0.90 0.00 0.00 136 S 7.97 4.41 0.00 4.28 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 0.00 137 D 7.96 4.10 0.00 2.41 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 0.00 138 E 8.01 3.91 0.00 2.18 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 2.31 2.49 0.00 139 E 7.99 4.27 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 140 G 7.51 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 0.00 141 D 7.70 4.59 0.00 2.81 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 0.00 142 S 8.08 4.10 0.00 4.05 4.06 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 0.00 0.00 0.00 143 V 7.60 3.51 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.98 3.72 4.44 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 1.30 0.00 0.00 145 N 7.96 4.33 0.00 2.71 2.86 0.00 0.00 6.49 8.50 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 0.00 146 D 8.07 4.38 0.00 2.77 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 0.00 147 I 7.69 3.53 1.60 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.56 0.00 0.00 148 F 7.92 3.95 0.00 3.33 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 0.00 149 N 8.55 4.34 0.00 3.29 3.04 0.00 0.00 6.82 7.33 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 0.00 150 V 8.09 3.55 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 0.98 0.00 0.00 0.98 0.00 0.00 151 A 7.38 3.53 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.20 4.01 0.00 2.05 2.01 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.51 7.81 153 A 7.97 3.96 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 0.00 154 S 7.88 4.07 0.00 3.92 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 0.00 155 I 7.91 3.53 1.86 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.74 0.63 0.00 0.00 156 E 8.44 4.03 0.00 2.10 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 2.46 0.00 157 K 8.06 4.19 0.00 2.10 2.06 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.94 7.81 158 H 8.30 4.42 0.00 3.48 3.51 0.00 5.68 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 0.00 159 I 8.07 3.79 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.11 1.00 0.00 0.00 160 W 8.45 4.51 0.00 3.39 3.50 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 0.00 161 M 7.78 3.28 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.32 0.00 162 L 8.54 3.99 0.00 1.68 1.59 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.49 3.99 0.00 2.37 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 164 A 8.30 4.19 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 0.00 165 E 7.98 4.00 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 166 L 7.54 4.31 0.00 1.80 1.64 0.81 0.90 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 0.00 167 G 7.97 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 0.00 0.00 0.00 168 Q 8.30 4.67 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 169 A 8.33 4.33 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 0.00 170 P 0.00 4.35 0.00 2.12 2.28 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.35 0.00 171 K 8.06 3.80 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.62 7.81 172 L 7.59 4.19 0.00 1.64 1.58 0.93 0.95 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