NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3404 8.3344 116.7655 58.0782 64.2827 172.8400 5 V 3.6035 8.1372 122.9526 61.7356 32.0581 170.2356 6 V 4.2758 8.9945 127.7912 61.2784 33.9622 174.4218 7 K 4.6897 8.1837 124.9394 54.3946 34.6377 177.5838 8 S 4.2672 8.7788 119.1829 61.5666 62.8016 175.2731 9 E 4.3069 8.1421 118.0041 57.7057 29.9406 176.8678 10 D 4.6959 8.3551 120.2570 54.3937 40.8145 178.0661 11 Y 4.1729 7.4974 120.2641 59.5913 37.8366 176.8581 12 A 4.5324 7.3308 120.5145 51.8491 19.4982 176.3686 13 L 4.6883 7.2957 116.0525 52.0244 43.6328 174.9226 14 P 4.3468 0.0000 0.0000 63.0454 31.7276 175.7371 15 S 4.8702 8.3910 115.2850 56.6855 66.1748 172.0050 16 Y 4.7925 8.3159 120.5743 56.0330 40.3842 174.9968 17 V 4.1455 6.8647 123.1987 60.5317 34.1291 173.1141 18 D 4.4632 8.2728 124.0402 53.1106 41.2564 176.6372 19 R 4.1456 8.4718 118.8005 56.7841 31.0754 177.0163 20 R 3.4294 7.6030 123.4859 58.6217 30.5367 176.8149 21 D 4.8603 7.8997 114.6984 53.2113 39.4013 176.8585 22 Y 4.9645 8.5813 120.1397 56.2661 39.6868 173.4552 23 P 4.4785 0.0000 0.0000 65.0042 31.9031 176.9536 24 L 4.6010 6.6550 116.0038 51.4844 41.2424 174.1974 25 P 4.4914 0.0000 0.0000 62.5990 31.8208 176.6924 26 D 4.6725 8.6394 116.8364 55.2066 41.1232 176.6466 27 V 4.4956 7.3460 117.2896 60.9360 34.8051 173.9177 28 A 4.2535 8.2855 126.8883 51.5293 19.2893 177.5090 29 H 3.6494 8.3592 121.5392 57.9426 30.0343 175.8202 30 V 4.1543 7.3737 118.6007 60.8790 33.2014 174.9291 31 K 4.0661 8.5684 127.3152 58.7414 32.4619 177.2952 32 N 4.6074 7.9038 116.4696 52.2764 38.8212 174.4546 33 L 4.7441 8.2386 123.7469 53.3239 43.6892 177.2390 34 S 4.5578 8.4685 117.4148 56.8335 65.9059 175.1966 35 A 3.9586 8.5119 123.6515 55.7666 17.8137 180.0654 36 S 4.0974 8.0274 111.7298 61.6924 63.0358 176.5446 37 Q 3.9483 7.9323 121.1907 58.5833 28.5391 178.4884 38 K 3.8477 8.5298 119.7432 59.6202 32.1038 179.1802 39 A 3.9934 7.9752 120.7586 55.0182 18.4296 179.4467 40 L 3.9230 8.1881 119.2505 58.3013 41.9588 179.3625 41 K 4.0304 8.4998 117.7069 59.3972 32.2982 178.9153 42 E 4.1483 8.0742 118.9540 59.3217 29.3440 179.3609 43 K 4.0231 8.0713 118.5960 59.4517 31.8500 178.8605 44 E 4.1660 7.9901 118.3652 59.2778 29.5474 178.8197 45 K 4.1952 8.0137 117.1086 59.3492 32.4033 176.7905 46 A 4.4250 7.9044 121.6288 50.6023 21.0136 176.0085 47 S 4.0331 8.3526 111.2185 58.0622 62.9941 175.9419 48 W 4.6441 8.3943 127.3442 59.4431 29.1696 178.4589 49 S 4.2528 8.1991 114.1354 61.2296 62.3258 175.0484 50 S 4.5241 7.9783 112.5975 58.3693 63.2355 174.0371 51 L 4.7105 7.6398 121.9028 54.0687 42.7473 177.0843 52 S 4.5576 9.3105 117.6714 57.6463 65.5231 175.3873 53 I 3.6292 8.4395 124.4059 65.2404 36.7389 178.2657 54 D 4.3484 8.0407 118.8576 57.3635 40.6637 178.4776 55 E 3.9782 7.9688 118.8770 59.2845 29.4138 179.5751 56 K 3.9264 8.3353 118.8275 59.2548 32.1020 179.6061 57 V 3.5721 8.0253 118.6716 66.1472 31.3417 177.5055 58 E 4.0439 8.2239 117.9028 59.3556 29.4654 178.3385 59 L 4.0494 8.2073 120.4345 58.2461 42.2333 178.3526 60 Y 4.0683 8.1287 119.5267 60.7307 38.6303 177.5403 61 R 4.4984 8.4809 116.0733 57.2399 30.4945 177.6618 62 L 4.1429 7.5765 121.6010 57.1195 42.2891 178.3741 63 K 3.4623 7.4712 118.9610 57.7070 32.4150 176.1996 64 F 5.2374 6.6011 115.8158 55.3212 41.5188 175.6537 65 K 3.7018 9.7714 127.8220 58.6016 32.2709 176.8580 66 E 5.0422 8.2179 114.8997 53.4931 32.6910 176.0782 67 S 5.0290 9.0984 117.6586 57.6017 65.3899 175.2417 68 F 3.9439 9.3077 121.0785 60.9796 38.3321 177.9331 69 A 4.0854 8.0242 119.0253 55.0462 18.5506 179.1705 70 E 4.1056 7.7445 117.3753 59.7730 29.4816 179.4565 71 M 4.1372 8.3643 115.9110 57.6655 31.1903 177.2201 72 N 4.7939 7.7175 115.6254 51.7407 39.2563 174.8802 73 R 3.9926 7.4749 122.4398 56.3141 30.6222 176.5321 74 S 4.4757 8.5468 120.0665 58.0112 64.1579 173.2356 75 T 4.6454 8.2153 111.6468 60.3895 71.2589 173.2140 76 N 4.8931 8.3425 115.9850 53.4255 39.1244 177.1815 77 E 3.9771 8.1059 122.0908 59.1547 29.5661 178.4194 78 W 4.5218 8.5128 116.3164 59.9622 27.7132 178.1924 79 K 2.9087 6.3512 117.2547 59.2310 31.3157 179.3956 80 T 3.7912 7.6441 115.8384 66.4606 68.2748 176.8649 81 V 3.5973 7.6836 119.5883 66.1924 31.6498 177.7359 82 V 3.7708 8.3764 118.4190 65.9531 31.4440 177.8232 83 G 3.8108 8.2381 104.9097 48.1691 0.0000 175.2254 84 A 4.1764 8.3675 123.5573 54.5688 18.2905 179.5908 85 A 4.1489 8.4059 119.4752 55.8423 18.4811 179.8870 86 M 4.0837 8.6039 117.5177 58.2047 31.8563 178.9105 87 F 4.0735 8.3188 121.1853 61.3094 39.3514 177.3793 88 F 3.8382 8.3058 117.3574 60.3298 38.4261 177.8265 89 I 3.9526 8.0507 119.4132 64.1319 36.9717 178.2882 90 G 3.6376 8.1651 106.9235 47.5015 0.0000 175.4814 91 F 4.0082 8.0158 123.2740 61.4779 39.3695 177.0480 92 T 3.5969 7.6756 114.8696 66.8913 68.2841 176.1629 93 A 3.9911 7.6662 121.9366 54.8698 18.2796 179.6899 94 L 3.9344 7.8057 118.1813 57.6352 41.6587 179.4885 95 L 3.8032 7.2436 118.5040 57.7188 41.7166 179.3124 96 L 4.0311 7.9509 118.8941 57.9116 41.5341 179.7163 97 I 3.7705 7.8679 119.7684 64.0555 36.9443 178.2832 98 W 4.3616 8.4503 129.5772 60.5176 30.4726 177.9103 99 E 4.0041 8.7045 117.7084 59.0184 28.7686 179.1813 100 K 3.9923 7.7465 119.8093 59.8163 32.4713 178.1526 101 H 4.0721 8.0495 116.7484 58.1943 29.7573 175.7042 102 Y 4.0624 7.6027 117.0692 58.1697 39.4519 176.7438 103 V 3.8675 7.0778 117.4736 64.5207 32.5584 175.5943 104 Y 4.6518 7.9569 118.3334 57.3655 38.1300 176.2564 105 G 3.9223 8.4506 115.1234 43.9513 0.0000 170.7999 106 P 4.3942 0.0000 0.0000 62.1622 32.1179 176.0930 107 I 4.0155 7.8522 114.1028 58.9703 38.8562 173.5721 108 P 4.2998 0.0000 0.0000 63.1419 31.4785 176.9320 109 H 4.2564 8.4550 114.3514 58.1658 28.6779 176.9541 110 T 2.6070 6.9510 108.5456 62.3438 68.4432 174.6544 111 F 4.4220 7.3927 120.4742 57.9936 40.0263 176.7518 112 E 4.1766 7.9413 121.1633 56.1310 30.6556 177.3270 113 E 4.0045 8.9387 122.9736 59.8456 29.5647 179.7431 114 E 3.9564 8.2198 118.2783 59.1183 29.9061 178.1439 115 W 3.9703 8.3824 127.9244 60.8720 30.6610 178.1483 116 V 4.0265 8.2752 111.6189 63.9754 30.9318 178.4257 117 A 4.0931 7.7109 120.4429 54.8394 18.2653 179.8454 118 K 3.8390 8.2321 117.3184 59.5792 32.1266 179.4338 119 Q 3.8514 8.3916 120.2633 59.4263 28.9354 178.4556 120 T 4.0628 8.1107 117.0632 66.1102 68.4291 176.8082 121 K 3.6765 8.0103 121.7664 59.3442 32.1980 178.7256 122 R 3.8027 7.9819 119.0156 59.7794 29.9833 178.2744 123 M 3.9807 7.9614 118.2700 58.5391 31.8434 178.8747 124 L 4.3679 7.9857 118.7751 57.4752 41.3768 179.4664 125 D 4.3933 7.9013 118.9503 57.3106 40.9207 177.7378 126 M 4.3047 8.1208 114.4068 54.2466 32.1710 176.1636 127 K 4.1598 7.6643 117.2378 56.0706 30.5358 176.2846 128 V 3.3963 8.4153 118.2274 64.5008 32.6753 174.8849 129 A 3.9386 8.7712 129.5660 52.8680 15.4241 175.3158 130 P 4.5504 0.0000 0.0000 64.3373 32.4727 178.7643 131 I 4.1852 7.7418 118.7159 63.4318 37.7876 175.4721 132 Q 4.7771 7.9917 116.0023 57.2114 36.2652 175.6631 133 G 3.7213 8.0140 105.9852 47.5064 0.0000 173.3403 134 F 4.6576 8.1661 119.0032 58.7346 41.9772 177.5489 135 S 4.2943 9.5749 115.3220 61.4741 62.8079 176.4363 136 A 4.3619 8.2050 121.5660 53.6413 18.3340 177.4575 137 K 4.7421 8.4079 117.7124 55.8322 33.3311 175.7931 138 W 5.0938 8.0634 128.4196 55.8489 34.1778 174.5203 139 D 4.4610 8.0250 127.1289 52.5851 40.1538 176.3412 140 Y 4.4922 8.3441 123.8351 60.4637 37.7304 177.6807 141 D 4.5773 7.2907 119.9410 56.6610 41.3881 177.0687 142 K 3.9989 7.9113 118.7822 56.6692 32.8676 177.1153 143 N 3.7800 7.6397 116.0277 53.0108 36.4518 172.7724 144 E 3.9458 5.9000 114.8537 54.1219 33.7716 176.2441 145 W 4.6636 8.2562 121.1190 56.6014 29.5590 176.1139 146 K 3.8216 8.0990 127.3138 56.9797 32.2928 176.5907 147 K 4.0705 8.3569 126.6135 57.0857 31.9748 174.8218 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 4 S 8.33 4.34 0.00 3.78 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 5 V 8.14 3.60 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 0.72 0.00 0.00 0.92 0.00 0.00 6 V 8.99 4.28 2.11 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 0.91 0.00 0.00 0.96 0.00 0.00 7 K 8.18 4.69 0.00 2.06 2.04 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.78 4.27 0.00 3.90 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 9 E 8.14 4.31 0.00 2.04 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 2.42 0.00 10 D 8.36 4.70 0.00 2.94 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 11 Y 7.50 4.17 0.00 2.98 3.26 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 12 A 7.33 4.53 1.11 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 13 L 7.30 4.69 0.00 1.77 1.58 0.91 0.87 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 14 P 0.00 4.35 0.00 2.07 2.04 0.00 3.62 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 2.05 2.11 0.00 15 S 8.39 4.87 0.00 4.00 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 16 Y 8.32 4.79 0.00 2.96 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 17 V 6.86 4.15 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 0.69 0.00 0.00 0.85 0.00 0.00 18 D 8.27 4.46 0.00 2.67 2.59 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 19 R 8.47 4.15 0.00 1.87 1.93 0.00 2.91 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 20 R 7.60 3.43 0.00 1.81 2.01 0.00 3.32 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 21 D 7.90 4.86 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.58 4.96 0.00 2.86 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 23 P 0.00 4.48 0.00 2.26 2.48 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 24 L 6.65 4.60 0.00 1.49 1.64 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.49 0.00 2.16 2.03 0.00 4.05 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.83 0.00 26 D 8.64 4.67 0.00 2.78 2.82 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 27 V 7.35 4.50 2.28 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 0.88 0.00 0.00 1.02 0.00 0.00 28 A 8.29 4.25 1.13 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 0.00 0.00 29 H 8.36 3.65 0.00 2.45 3.23 0.00 5.72 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 30 V 7.37 4.15 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 0.78 0.00 0.00 0.73 0.00 0.00 31 K 8.57 4.07 0.00 1.74 1.80 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.41 7.81 32 N 7.90 4.61 0.00 2.67 2.74 0.00 0.00 6.83 7.85 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 33 L 8.24 4.74 0.00 1.60 1.55 0.89 0.96 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 34 S 8.47 4.56 0.00 4.07 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 35 A 8.51 3.96 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 36 S 8.03 4.10 0.00 4.06 4.14 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 37 Q 7.93 3.95 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.53 3.85 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 39 A 7.98 3.99 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 40 L 8.19 3.92 0.00 1.88 1.84 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.50 4.03 0.00 1.93 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.61 7.81 42 E 8.07 4.15 0.00 2.26 2.01 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 2.59 2.50 0.00 43 K 8.07 4.02 0.00 2.02 1.92 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.66 7.81 44 E 7.99 4.17 0.00 2.05 2.26 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 2.60 2.36 0.00 45 K 8.01 4.20 0.00 1.90 1.89 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.29 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.63 7.81 46 A 7.90 4.42 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 47 S 8.35 4.03 0.00 3.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.39 4.64 0.00 3.46 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 49 S 8.20 4.25 0.00 3.88 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 50 S 7.98 4.52 0.00 4.03 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 51 L 7.64 4.71 0.00 1.84 1.66 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.31 4.56 0.00 4.00 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 53 I 8.44 3.63 1.87 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 1.63 0.60 0.90 0.00 0.00 54 D 8.04 4.35 0.00 2.69 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 55 E 7.97 3.98 0.00 2.19 2.01 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 2.34 2.36 0.00 56 K 8.34 3.93 0.00 1.97 1.83 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.45 7.81 57 V 8.03 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 58 E 8.22 4.04 0.00 2.07 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 0.00 2.33 2.34 0.00 59 L 8.21 4.05 0.00 2.10 1.69 0.89 0.91 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 60 Y 8.13 4.07 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 61 R 8.48 4.50 0.00 1.84 2.03 0.00 3.51 0.00 0.00 3.49 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 62 L 7.58 4.14 0.00 1.93 1.51 0.87 0.50 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 63 K 7.47 3.46 0.00 1.40 0.87 0.00 1.27 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.36 7.81 64 F 6.60 5.24 0.00 2.65 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 65 K 9.77 3.70 0.00 1.23 2.27 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.14 7.81 66 E 8.22 5.04 0.00 2.32 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 2.57 2.25 0.00 67 S 9.10 5.03 0.00 4.14 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 0.00 68 F 9.31 3.94 0.00 3.06 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 69 A 8.02 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.74 4.11 0.00 2.14 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 2.36 2.36 0.00 71 M 8.36 4.14 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 72 N 7.72 4.79 0.00 2.81 2.88 0.00 0.00 6.94 6.94 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 73 R 7.47 3.99 0.00 1.85 1.93 0.00 3.27 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 74 S 8.55 4.48 0.00 4.07 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 75 T 8.22 4.65 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 1.24 0.00 0.00 76 N 8.34 4.89 0.00 2.82 2.74 0.00 0.00 6.43 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.11 3.98 0.00 2.07 2.01 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 2.34 2.33 0.00 78 W 8.51 4.52 0.00 3.66 3.39 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 79 K 6.35 2.91 0.00 1.45 1.37 0.00 1.31 0.00 0.00 1.29 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.64 3.79 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 81 V 7.68 3.60 2.33 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 1.18 0.00 0.00 0.98 0.00 0.00 82 V 8.38 3.77 2.29 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 1.19 0.00 0.00 1.32 0.00 0.00 83 G 8.24 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 0.00 0.00 0.00 84 A 8.37 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 85 A 8.41 4.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.60 4.08 0.00 2.11 2.33 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 2.90 2.61 0.00 87 F 8.32 4.07 0.00 3.10 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 88 F 8.31 3.84 0.00 3.34 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 89 I 8.05 3.95 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.64 0.93 0.00 0.00 90 G 8.17 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 4.01 0.00 2.47 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 92 T 7.68 3.60 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 93 A 7.67 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.81 3.93 0.00 1.42 1.56 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.24 3.80 0.00 1.65 1.55 0.81 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.95 4.03 0.00 1.83 1.73 0.92 0.69 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 97 I 7.87 3.77 2.05 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 1.42 0.87 0.95 0.00 0.00 98 W 8.45 4.36 0.00 3.35 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.70 4.00 0.00 2.27 2.47 0.00 0.00 0.00 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 1.91 0.00 100 K 7.75 3.99 0.00 1.85 2.06 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 101 H 8.05 4.07 0.00 3.05 3.02 0.00 5.76 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.60 4.06 0.00 1.43 2.18 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 0.00 103 V 7.08 3.87 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 0.73 0.00 0.00 0.86 0.00 0.00 104 Y 7.96 4.65 0.00 3.11 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.45 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.39 0.00 2.15 2.01 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 107 I 7.85 4.02 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.20 0.63 0.00 0.00 108 P 0.00 4.30 0.00 2.07 2.18 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.11 0.00 109 H 8.46 4.26 0.00 3.31 3.53 0.00 5.65 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 0.00 110 T 6.95 2.61 3.35 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 -0.30 0.00 0.00 111 F 7.39 4.42 0.00 3.09 3.09 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 0.00 112 E 7.94 4.18 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 113 E 8.94 4.00 0.00 2.06 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 0.00 2.48 2.47 0.00 114 E 8.22 3.96 0.00 2.09 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 2.38 2.37 0.00 115 W 8.38 3.97 0.00 3.62 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 0.00 116 V 8.28 4.03 2.18 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 0.87 0.00 0.00 1.06 0.00 0.00 117 A 7.71 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.23 3.84 0.00 1.54 1.61 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.39 7.81 119 Q 8.39 3.85 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 120 T 8.11 4.06 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 1.55 0.00 0.00 121 K 8.01 3.68 0.00 1.78 1.91 0.00 1.35 0.00 0.00 1.50 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 122 R 7.98 3.80 0.00 1.81 1.97 0.00 3.07 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 123 M 7.96 3.98 0.00 1.80 2.13 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.42 0.00 124 L 7.99 4.37 0.00 1.63 1.34 -0.67 0.46 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 0.00 125 D 7.90 4.39 0.00 2.75 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 0.00 126 M 8.12 4.30 0.00 2.12 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 2.57 2.84 0.00 127 K 7.66 4.16 0.00 1.86 1.99 0.00 1.73 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.37 7.81 128 V 8.42 3.40 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 0.60 0.00 0.00 0.87 0.00 0.00 129 A 8.77 3.94 1.49 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 0.00 130 P 0.00 4.55 0.00 2.29 2.43 0.00 3.83 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 131 I 7.74 4.19 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 1.46 0.62 0.95 0.00 0.00 132 Q 7.99 4.78 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 133 G 8.01 3.72 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 0.00 0.00 0.00 134 F 8.17 4.66 0.00 3.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 9.57 4.29 0.00 4.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.20 4.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.41 4.74 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.40 7.81 138 W 8.06 5.09 0.00 2.95 2.57 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 0.00 139 D 8.03 4.46 0.00 2.41 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 0.00 140 Y 8.34 4.49 0.00 3.13 2.98 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 0.00 141 D 7.29 4.58 0.00 2.85 2.57 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 0.00 142 K 7.91 4.00 0.00 1.54 1.71 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.37 7.81 143 N 7.64 3.78 0.00 2.74 2.78 0.00 0.00 6.70 7.74 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 0.00 144 E 5.90 3.95 0.00 1.75 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 1.87 2.01 0.00 145 W 8.26 4.66 0.00 3.20 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 0.00 146 K 8.10 3.82 0.00 1.64 1.78 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.37 7.81 147 K 8.36 4.07 0.00 1.88 1.60 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.47 7.81