NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0896 8.0549 120.3913 62.5514 32.5092 175.1654 2 L 4.0319 8.2749 127.2960 52.3122 42.4644 175.8197 3 S 4.5502 9.7807 118.4818 57.5151 66.2873 174.9044 4 E 4.2492 8.9215 121.9719 59.9366 29.2223 179.9730 5 G 3.6721 8.1439 104.8181 47.9570 0.0000 175.3695 6 E 3.9407 8.2448 120.9907 58.9225 29.3626 179.4332 7 W 4.4871 8.3862 119.2980 59.9663 29.0093 178.3666 8 Q 4.1032 8.5655 119.7448 58.9686 28.3809 178.2186 9 L 4.0451 7.9982 120.2166 57.7202 41.6854 179.5321 10 V 3.7483 7.9972 118.0140 66.3260 31.5903 178.0793 11 L 4.3431 8.5783 118.4603 57.2593 41.2628 178.9324 12 H 4.1829 8.4928 118.7011 59.2880 30.1713 177.2832 13 V 3.7391 7.8236 120.7019 64.6433 31.2018 178.0653 14 W 3.9110 8.6301 128.8643 60.0016 30.3750 177.7975 15 A 4.0388 8.1884 120.7504 54.8493 17.8328 179.7134 16 K 3.7306 7.7363 117.2954 59.2573 32.0330 179.7076 17 V 2.9316 7.0202 118.7709 65.4012 31.0307 177.4657 18 E 3.9423 7.0162 115.7423 57.8254 29.3276 178.2087 19 A 4.2385 7.3415 120.1053 53.4470 19.8066 177.5485 20 D 4.6539 7.7763 116.6321 51.9994 42.4141 175.4957 21 V 3.4462 7.8575 123.5475 65.9730 32.0143 176.8521 22 A 4.0684 7.9760 120.0860 54.9485 18.2915 179.6552 23 G 3.5617 8.5017 105.8939 47.6676 0.0000 175.7507 24 H 4.1077 8.1911 118.5351 58.5089 28.6549 178.1589 25 G 3.5949 8.3558 107.8765 47.7889 0.0000 175.7001 26 Q 3.8822 8.3020 120.6788 58.9470 28.6820 178.7942 27 D 4.2654 7.9376 119.8094 57.1709 40.7186 178.9089 28 I 3.6119 8.0127 120.7312 64.4227 37.1409 178.4845 29 L 3.4284 7.8559 119.8648 57.5580 41.2912 179.6557 30 I 3.5777 7.7629 120.0881 64.3450 36.9403 178.4692 31 R 3.8604 8.0485 119.6831 59.0512 29.8208 178.2927 32 L 3.9058 7.9688 120.5453 58.3746 41.6076 179.1387 33 F 4.5858 8.1397 117.9476 60.3495 38.5643 178.0053 34 K 4.0839 8.3726 118.2254 59.3889 31.9223 179.2884 35 S 4.2558 8.1603 115.0851 60.3598 64.2419 174.4670 36 H 4.8234 7.9807 117.7959 50.8326 29.0743 171.9253 37 P 4.6934 0.0000 0.0000 64.4961 31.0932 177.5054 38 E 4.0971 8.2504 116.2937 59.4409 29.4226 179.1755 39 T 3.9265 8.2313 111.5440 64.6319 68.8267 176.2662 40 L 3.6261 7.9019 122.7865 57.6599 41.7525 178.4129 41 E 4.1039 7.7369 118.1756 58.4405 29.6627 178.2577 42 K 4.4368 7.9713 116.8567 57.1024 32.4744 176.6460 43 F 4.5714 8.1202 118.9569 55.3563 38.9510 175.8014 44 D 4.3521 8.5955 127.2092 57.1698 40.9250 179.4438 45 R 3.8465 7.8557 118.0934 58.5494 30.2292 176.6467 46 F 5.0988 8.3212 113.6375 56.5691 40.7837 176.2632 47 K 4.1720 7.8673 119.3560 58.7198 32.6306 177.8930 48 H 4.3194 8.1283 114.6328 57.4146 28.8325 175.2263 49 L 4.2772 7.6619 121.4984 54.3309 41.4102 176.6484 50 K 4.4488 9.7930 124.1662 56.5254 33.6266 176.9397 51 T 4.7401 7.4475 108.6153 58.8428 73.2590 174.1604 52 E 3.8617 8.6716 121.8535 59.3786 29.8333 178.8581 53 A 4.0252 7.9644 120.3875 55.2754 18.2511 179.2924 54 E 3.9496 8.2586 116.3187 59.6120 29.8440 179.0363 55 M 4.1376 8.2035 119.0411 58.5792 31.9136 179.0402 56 K 4.0573 8.3829 116.5269 58.5242 32.2716 178.4485 57 A 4.4554 7.5062 119.1476 51.8645 19.2925 177.0658 58 S 4.2806 7.5061 113.6212 57.4838 62.6942 174.3794 59 E 3.9754 8.9266 129.3543 59.3298 29.4993 177.8611 60 D 4.4230 8.2104 117.7256 57.4200 41.2837 177.9389 61 L 3.7131 8.1574 120.8228 57.8882 42.0346 178.8786 62 K 3.9110 8.0233 119.4027 59.2551 32.1231 178.8461 63 K 3.9533 8.4149 119.2114 59.9610 31.9403 178.7761 64 H 4.4366 8.6195 118.5093 58.9648 29.7128 177.4689 65 G 3.5962 8.2432 107.9484 47.7394 0.0000 175.8147 66 V 3.6010 7.8001 120.5698 65.9516 31.6325 178.1126 67 T 3.8823 7.9417 115.4882 66.7202 68.2723 176.6278 68 V 3.6232 8.0073 120.1955 66.2104 31.5350 178.1478 69 L 4.2709 8.2823 118.8369 57.9808 41.3976 179.6389 70 T 3.9965 8.4802 116.1974 66.5255 68.4770 176.6409 71 A 4.0059 8.0507 122.6107 54.9316 18.3440 179.3798 72 L 3.7588 8.3771 119.4665 58.1315 42.0960 179.4362 73 G 3.1688 8.4732 105.7231 47.6865 0.0000 175.3444 74 A 3.9926 7.9091 122.2449 54.9760 18.6383 179.5929 75 I 3.8435 7.4532 117.7285 64.4897 37.1630 178.6425 76 L 4.0015 7.8167 120.0603 57.5918 41.2145 179.2891 77 K 4.0297 7.8084 116.2198 57.8203 32.2287 178.4456 78 K 4.0210 7.7859 118.5480 55.5626 32.5142 176.5465 79 K 2.0000 8.4144 118.2250 56.4188 29.8029 176.0052 80 G 3.9607 8.1280 106.8971 45.7970 0.0000 174.2331 81 H 4.5271 7.5576 119.3034 55.3848 27.5060 175.4608 82 H 5.3021 7.1154 112.7741 54.8222 29.8698 176.0225 83 E 3.9353 8.2172 124.4154 60.1024 29.2996 178.2151 84 A 4.0551 7.9495 119.4219 55.0236 17.5229 178.9132 85 E 4.1534 8.0847 116.6871 59.3710 29.8090 179.1054 86 L 4.2897 8.3137 119.2767 57.1005 41.5075 179.1183 87 K 3.8653 8.0488 120.3102 59.2754 32.0417 177.0394 88 P 4.2314 0.0000 0.0000 65.4621 31.2098 178.0615 89 L 3.9726 7.4786 120.1865 58.1390 42.0625 178.8449 90 A 4.1182 8.6741 121.0587 55.1386 18.2729 179.4649 91 Q 3.8114 8.3501 117.1153 59.2940 28.7736 179.5207 92 S 3.9946 8.3879 115.4272 61.6200 63.0937 176.0667 93 H 4.1251 8.6243 119.5592 57.9492 28.2582 177.6925 94 A 3.0635 7.8775 122.8624 54.5244 18.2145 178.9934 95 T 3.7830 7.2309 105.7057 61.8717 69.6845 175.4332 96 K 4.1970 7.4373 120.6196 58.3050 33.3435 176.8443 97 H 4.3769 7.9189 113.7941 56.0209 29.1786 175.2934 98 K 3.8192 7.6669 117.0182 57.4066 28.8081 175.8154 99 I 4.2253 7.9456 119.6712 58.9335 38.5271 175.0143 100 P 4.4634 0.0000 0.0000 62.2303 32.0629 177.5316 101 I 3.4200 8.2732 121.4438 64.3434 36.9234 178.5946 102 K 3.7047 7.8956 119.9599 59.5177 31.8406 177.9114 103 Y 3.9559 7.9479 116.4683 60.0067 37.8526 177.7445 104 L 4.1245 7.8177 120.6091 57.3764 41.6334 178.9531 105 E 3.9333 7.8464 118.9847 59.2962 29.7038 178.3927 106 F 4.4741 7.7927 117.8305 61.0921 38.9564 177.7310 107 I 3.9080 8.3089 117.8069 63.9279 37.7579 178.0364 108 S 4.1872 8.3208 116.4251 61.5085 62.5287 176.3657 109 E 4.0762 8.5802 121.2736 59.3001 29.1143 179.2612 110 A 4.0124 8.0552 120.8984 55.1607 18.3723 179.6754 111 I 3.6679 8.1378 118.6981 64.7310 37.1492 178.8063 112 I 3.8353 7.9716 120.6181 64.4212 36.8439 177.9993 113 H 4.1221 8.5224 119.2901 59.3344 29.7731 177.4722 114 V 3.5194 8.0003 120.1518 66.0965 31.3661 178.0064 115 L 3.7923 8.0816 118.9764 57.6716 41.0012 179.0594 116 H 4.4213 7.9691 117.7442 59.4647 29.9591 177.1478 117 S 4.1674 8.0767 116.0723 61.3940 62.7154 176.2660 118 R 4.1687 7.7501 118.8496 57.0584 31.4863 176.4318 119 H 5.0228 8.0564 115.7895 54.0983 29.7760 173.1241 120 P 4.3747 0.0000 0.0000 65.2030 31.8147 178.6013 121 G 3.8315 8.0696 106.2361 46.6397 0.0000 173.7738 122 D 4.9342 8.0877 118.3303 54.1496 41.6416 176.0785 123 F 4.9923 8.0932 121.0322 56.7712 39.7743 174.7536 124 G 3.8515 7.7976 108.0638 44.2513 0.0000 172.5773 125 A 4.0644 8.4099 120.7439 54.6359 18.1980 179.5460 126 D 4.2075 7.9693 117.3531 56.8276 39.4018 178.6481 127 A 3.9176 7.7678 122.5178 54.4287 18.3268 179.3559 128 Q 3.3091 7.9123 117.0541 58.7756 28.6182 179.3073 129 G 3.5150 8.6135 106.8909 47.7052 0.0000 175.6134 130 A 3.8538 7.9848 123.2761 55.1104 18.3530 179.4684 131 M 4.0141 8.3953 117.0515 58.5411 32.2653 177.8810 132 N 4.3188 8.4921 117.7567 56.5320 39.0622 176.8706 133 K 3.8245 8.1311 119.7299 59.4210 32.1795 178.9101 134 A 3.8173 8.0153 121.1757 55.3719 18.2708 179.7590 135 L 4.0232 8.3302 117.6977 57.8084 41.6223 179.4431 136 E 3.9833 8.6195 119.0971 59.4455 29.3695 179.1594 137 L 3.9841 8.1180 120.2435 58.1377 42.0702 178.7750 138 F 4.0233 8.3701 120.5420 61.4595 39.2813 177.3906 139 R 3.6065 8.1272 117.7029 58.7053 29.9061 178.9976 140 K 3.8894 8.4015 119.9704 59.7443 32.1609 178.7296 141 D 4.3500 8.2085 119.2849 57.2883 40.6820 178.9444 142 I 3.5366 7.6787 120.4218 64.1494 37.0594 178.1936 143 A 3.8562 8.4181 122.1112 55.0925 18.0738 179.5887 144 A 4.0822 7.8781 118.9935 55.1379 18.4761 180.0566 145 K 4.0018 7.9150 117.3056 59.5236 32.1123 178.7792 146 Y 4.0956 8.7352 117.5383 61.3260 37.8341 178.6872 147 K 3.8886 8.7006 120.3491 59.6751 32.0247 177.9780 148 E 3.9291 8.0784 118.1017 59.5612 29.6665 178.4688 149 L 4.3934 7.6629 115.1562 55.2695 41.8365 177.7413 150 G 3.7935 8.1164 107.3690 45.9452 0.0000 173.6393 151 Y 4.4433 8.2201 114.1924 57.2427 38.8010 176.8016 152 Q 4.1160 8.2146 122.2321 57.1307 29.5865 176.0529 153 G 4.0788 8.1576 110.6927 45.7499 0.0000 173.0049 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 V 8.05 4.09 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 1.04 0.00 0.00 0.96 0.00 0.00 2 L 8.27 4.03 0.00 0.65 0.62 0.55 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.78 4.55 0.00 4.02 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 4 E 8.92 4.25 0.00 2.06 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 2.50 2.40 0.00 5 G 8.14 3.67 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 6 E 8.24 3.94 0.00 2.04 1.73 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 2.22 2.27 0.00 7 W 8.39 4.49 0.00 3.51 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 8 Q 8.57 4.10 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 8.00 4.05 0.00 1.96 1.75 0.95 0.81 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 10 V 8.00 3.75 2.54 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 1.21 0.00 0.00 0.90 0.00 0.00 11 L 8.58 4.34 0.00 1.85 1.82 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.49 4.18 0.00 3.26 3.58 0.00 5.95 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 13 V 7.82 3.74 2.46 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 1.04 0.00 0.00 0.83 0.00 0.00 14 W 8.63 3.91 0.00 3.68 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 15 A 8.19 4.04 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 16 K 7.74 3.73 0.00 1.36 1.54 0.00 1.57 0.00 0.00 1.42 0.00 0.00 2.70 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.40 7.81 17 V 7.02 2.93 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 0.00 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 18 E 7.02 3.94 0.00 1.98 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 2.17 2.11 0.00 19 A 7.34 4.24 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 20 D 7.78 4.65 0.00 2.65 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 7.86 3.45 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 1.07 0.00 0.00 0.93 0.00 0.00 22 A 7.98 4.07 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 8.50 3.56 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 24 H 8.19 4.11 0.00 3.29 3.22 0.00 5.82 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 8.36 3.59 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 0.00 26 Q 8.30 3.88 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 27 D 7.94 4.27 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.61 1.94 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 1.50 0.74 0.88 0.00 0.00 29 L 7.86 3.43 0.00 1.28 0.79 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.76 3.58 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.86 0.00 0.00 31 R 8.05 3.86 0.00 1.87 2.03 0.00 3.04 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.97 3.91 0.00 1.74 1.43 1.07 1.06 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 33 F 8.14 4.59 0.00 2.96 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 34 K 8.37 4.08 0.00 1.71 1.83 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 35 S 8.16 4.26 0.00 3.73 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 7.98 4.82 0.00 3.06 2.82 0.00 5.64 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 37 P 0.00 4.69 0.00 2.14 2.10 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.25 4.10 0.00 2.27 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 1.98 2.37 0.00 39 T 8.23 3.93 4.57 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 1.03 0.00 0.00 40 L 7.90 3.63 0.00 1.22 1.74 0.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.74 4.10 0.00 2.01 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 2.38 2.44 0.00 42 K 7.97 4.44 0.00 1.96 1.72 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 2.00 7.81 43 F 8.12 4.57 0.00 3.24 2.87 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 44 D 8.60 4.35 0.00 2.67 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 7.86 3.85 0.00 1.29 0.66 0.00 2.98 0.00 0.00 2.68 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 46 F 8.32 5.10 0.00 2.92 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 47 K 7.87 4.17 0.00 1.92 2.25 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.63 1.40 7.81 48 H 8.13 4.32 0.00 3.31 3.49 0.00 5.52 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 7.66 4.28 0.00 1.63 1.58 0.85 0.68 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 K 9.79 4.45 0.00 1.67 1.82 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.49 7.81 51 T 7.45 4.74 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 8.67 3.86 0.00 2.04 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 2.35 2.35 0.00 53 A 7.96 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 54 E 8.26 3.95 0.00 2.08 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 2.35 2.35 0.00 55 M 8.20 4.14 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.56 0.00 56 K 8.38 4.06 0.00 1.80 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.67 7.81 57 A 7.51 4.46 1.36 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 58 S 7.51 4.28 0.00 3.94 3.91 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 59 E 8.93 3.98 0.00 2.14 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 2.40 2.46 0.00 60 D 8.21 4.42 0.00 2.91 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 61 L 8.16 3.71 0.00 1.36 1.63 -0.09 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.02 3.91 0.00 1.88 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.41 3.95 0.00 2.16 1.95 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.50 7.81 64 H 8.62 4.44 0.00 3.66 3.55 0.00 5.79 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 65 G 8.24 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.80 3.60 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.94 3.88 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 1.28 0.00 0.00 68 V 8.01 3.62 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 1.17 0.00 0.00 0.99 0.00 0.00 69 L 8.28 4.27 0.00 1.80 1.92 0.86 1.20 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 70 T 8.48 4.00 4.50 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 1.26 0.00 0.00 71 A 8.05 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 72 L 8.38 3.76 0.00 1.55 1.61 0.25 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 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 0.00 0.00 0.00 74 A 7.91 3.99 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 7.45 3.84 1.91 0.00 0.00 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 1.58 1.01 0.99 0.00 0.00 76 L 7.82 4.00 0.00 1.29 1.54 -0.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.81 4.03 0.00 1.66 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.55 7.81 78 K 7.79 4.02 0.00 1.89 1.80 0.00 1.93 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.77 7.81 79 K 8.41 2.00 0.00 1.26 0.74 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.64 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.74 7.81 80 G 8.13 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.56 4.53 0.00 3.14 3.25 0.00 5.82 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 82 H 7.12 5.30 0.00 3.38 3.45 0.00 5.64 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 83 E 8.22 3.94 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 84 A 7.95 4.06 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 8.08 4.15 0.00 2.11 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 2.40 2.47 0.00 86 L 8.31 4.29 0.00 1.70 1.65 0.99 0.81 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 87 K 8.05 3.87 0.00 1.98 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.61 7.81 88 P 0.00 4.23 0.00 2.33 2.30 0.00 3.96 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 2.19 2.03 0.00 89 L 7.48 3.97 0.00 2.00 1.91 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.67 4.12 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 91 Q 8.35 3.81 0.00 2.17 2.10 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 2.34 2.68 0.00 92 S 8.39 3.99 0.00 3.88 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 93 H 8.62 4.13 0.00 3.48 3.57 0.00 5.81 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 7.88 3.06 -0.16 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 95 T 7.23 3.78 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 96 K 7.44 4.20 0.00 1.56 1.71 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.22 1.35 7.81 97 H 7.92 4.38 0.00 3.01 3.16 0.00 5.84 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 98 K 7.67 3.82 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.39 7.81 99 I 7.95 4.23 2.04 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 1.34 0.94 1.08 0.00 0.00 100 P 0.00 4.46 0.00 1.67 1.77 0.00 2.20 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 1.27 1.81 0.00 101 I 8.27 3.42 1.72 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.72 0.00 0.00 102 K 7.90 3.70 0.00 1.73 1.66 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 0.65 7.81 103 Y 7.95 3.96 0.00 3.05 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 7.82 4.12 0.00 1.83 1.84 0.68 0.91 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 0.00 105 E 7.85 3.93 0.00 1.94 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 2.45 2.42 0.00 106 F 7.79 4.47 0.00 3.30 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 0.00 107 I 8.31 3.91 2.02 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 1.57 1.66 1.08 0.00 0.00 108 S 8.32 4.19 0.00 4.20 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 0.00 109 E 8.58 4.08 0.00 2.28 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 2.66 2.60 0.00 110 A 8.06 4.01 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 0.00 111 I 8.14 3.67 2.09 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 1.60 0.88 1.05 0.00 0.00 112 I 7.97 3.84 2.01 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 1.69 0.79 1.21 0.00 0.00 113 H 8.52 4.12 0.00 3.34 3.46 0.00 5.59 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 0.00 114 V 8.00 3.52 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 0.87 0.00 0.00 0.97 0.00 0.00 115 L 8.08 3.79 0.00 0.95 0.42 0.75 0.86 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 0.00 116 H 7.97 4.42 0.00 3.52 3.56 0.00 5.96 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 8.08 4.17 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 0.00 118 R 7.75 4.17 0.00 1.53 1.55 0.00 2.72 0.00 0.00 2.68 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 119 H 8.06 5.02 0.00 3.23 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.37 0.00 2.19 2.30 0.00 3.65 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 2.05 1.91 0.00 121 G 8.07 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 0.00 122 D 8.09 4.93 0.00 2.77 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 0.00 123 F 8.09 4.99 0.00 3.08 3.06 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 0.00 124 G 7.80 3.85 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 0.00 0.00 0.00 125 A 8.41 4.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.97 4.21 0.00 2.86 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 0.00 127 A 7.77 3.92 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 3.31 0.00 1.92 1.91 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 1.68 1.41 0.00 129 G 8.61 3.51 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 0.00 130 A 7.98 3.85 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 0.00 131 M 8.40 4.01 0.00 2.45 2.45 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.88 0.00 132 N 8.49 4.32 0.00 2.87 2.91 0.00 0.00 7.14 7.49 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 0.00 133 K 8.13 3.82 0.00 1.79 1.67 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 8.02 3.82 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 8.33 4.02 0.00 1.76 1.78 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.62 3.98 0.00 2.19 2.00 0.00 0.00 0.00 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 2.64 0.00 137 L 8.12 3.98 0.00 1.79 1.95 0.98 0.99 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 0.00 138 F 8.37 4.02 0.00 3.10 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 0.00 139 R 8.13 3.61 0.00 2.04 1.87 0.00 3.14 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 140 K 8.40 3.89 0.00 1.83 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 8.21 4.35 0.00 2.71 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 0.00 142 I 7.68 3.54 1.46 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.43 0.00 0.00 143 A 8.42 3.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.88 4.08 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 0.00 145 K 7.91 4.00 0.00 1.97 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.59 7.81 146 Y 8.74 4.10 0.00 3.04 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 0.00 147 K 8.70 3.89 0.00 2.02 2.03 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 148 E 8.08 3.93 0.00 2.03 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 0.00 2.35 2.39 0.00 149 L 7.66 4.39 0.00 1.92 1.91 0.79 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.12 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 0.00 151 Y 8.22 4.44 0.00 2.64 2.87 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 0.00 152 Q 8.21 4.12 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 153 G 8.16 4.08 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 0.00 0.00 0.00