NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2627 8.1685 121.8008 56.5643 34.2463 177.6925 14 A 3.8493 8.0510 121.4288 54.2866 18.5248 178.3508 15 F 4.0117 8.7048 116.9930 60.7227 40.5717 174.2985 16 G 4.1035 7.8109 107.8499 45.1913 0.0000 175.0010 17 L 3.8994 7.8121 123.1600 58.0802 42.1550 179.0912 18 L 3.9970 7.7608 118.4344 57.5873 41.5896 179.3576 19 K 3.9348 7.9407 119.0455 59.0922 32.2352 178.5639 20 A 3.9781 8.0630 121.1337 55.4180 18.4117 179.8474 21 R 3.8909 8.0220 116.4800 59.3888 30.0648 179.2079 22 Q 3.9283 8.0569 119.3742 59.0079 29.0051 177.6331 23 E 3.8694 8.2668 120.4085 59.4328 29.5675 179.0786 24 R 3.9066 8.0761 118.0211 59.2237 29.9696 179.1399 25 R 3.9143 7.9222 117.8182 59.4290 30.0076 179.1599 26 L 3.8431 7.9184 118.4441 57.4644 41.4428 179.3712 27 A 4.0322 8.2644 121.1121 55.1079 18.1413 179.5019 28 E 3.9461 8.5117 117.4316 59.6012 29.5097 179.7117 29 I 3.8063 7.7164 120.0286 64.4152 37.2272 177.9584 30 N 4.5858 8.6873 117.6330 56.6258 38.2061 177.1988 31 R 3.9432 8.0905 118.7724 59.5151 30.3652 177.9190 32 E 4.0945 7.9907 118.0991 59.7266 29.3901 179.4610 33 F 4.3511 8.3071 117.4837 60.6588 38.7059 177.7605 34 L 4.1701 8.2611 117.8151 56.9901 41.4452 178.1722 35 C 4.7649 7.4847 113.8536 58.2299 28.8469 172.9106 36 D 4.5772 7.5272 122.9244 53.4090 41.4100 176.8201 37 Q 4.0501 8.9149 126.4481 59.1103 28.9611 179.3480 38 K 3.7275 8.0126 116.4207 58.8435 32.1368 177.1974 39 Y 4.8124 7.8466 114.5013 57.5615 38.3286 177.3888 40 S 4.2700 8.0108 115.4058 60.3173 63.0126 174.5622 41 D 4.8277 7.8220 118.8236 53.7757 41.9432 175.8630 42 E 4.0554 8.3009 122.0715 55.9779 30.0530 175.9649 43 E 4.1765 8.7020 127.0117 57.0173 30.6650 175.2607 44 N 4.2172 8.8423 119.9005 54.0557 36.7207 176.6557 45 L 3.8566 8.0923 120.0333 57.9277 42.2877 175.9300 46 P 4.2249 0.0000 0.0000 65.6418 31.3442 178.3550 47 E 3.9038 8.0350 116.7010 59.3554 29.3714 179.4637 48 K 3.4712 7.9343 118.3781 59.1981 31.9646 179.4165 49 L 3.7979 7.8372 119.5254 57.9762 41.4920 179.5904 50 T 3.8389 7.8515 115.3658 66.6698 68.3405 176.3797 51 A 4.0161 7.6910 122.2423 55.2716 18.3142 179.7309 52 F 4.7922 8.1744 116.6728 60.7242 38.8883 177.8298 53 K 3.8776 8.7019 119.5960 59.5548 31.7997 178.7142 54 E 3.9850 8.2122 117.6247 59.3286 29.7156 178.8624 55 K 4.1589 8.5025 119.8336 59.8278 32.3979 178.0502 56 Y 3.8152 8.4647 119.9804 60.8763 38.4593 177.5159 57 M 4.3387 7.7848 116.8765 56.7728 32.3153 177.7515 58 E 4.1169 7.9680 118.5995 57.5681 29.9964 177.2097 59 F 4.0462 7.2396 116.8309 56.9157 39.6579 175.2976 60 D 4.5330 8.4172 122.8143 53.4023 39.9502 175.6838 61 L 4.4586 7.9771 126.0949 53.7119 42.9903 177.4672 62 N 4.7457 8.5973 119.0159 51.8932 39.2751 175.0913 63 N 4.2243 8.8081 114.4288 56.5699 38.5132 175.7370 64 E 4.4556 8.3707 114.4044 55.7195 29.7828 175.6403 65 G 3.8495 8.1741 106.4039 46.9684 0.0000 173.4458 66 E 5.5159 8.4266 116.9059 52.9585 34.7275 175.4078 67 I 4.2916 8.6048 122.2624 60.2014 38.4096 175.1223 68 D 5.0468 8.2026 128.2117 51.4371 42.6720 176.0641 69 L 3.8707 8.6806 118.3459 59.0578 41.9728 178.9987 70 M 4.0670 8.1133 117.4485 58.8426 31.9158 178.0592 71 S 4.3784 8.3710 116.4882 61.0204 62.9583 176.8386 72 L 4.1953 7.9847 121.5043 57.6476 41.4361 178.9291 73 K 3.8040 8.4634 119.9835 60.0943 32.0593 178.6404 74 R 4.0657 8.0755 117.7730 59.6406 29.9798 178.8333 75 M 3.9807 8.0388 117.5413 58.6477 32.2447 178.2623 76 M 4.0985 8.5117 119.5063 58.2460 31.6161 178.5610 77 E 3.9507 8.3423 118.8558 59.2897 29.4377 179.3219 78 K 3.9853 7.9182 118.4427 59.0418 32.3148 177.8751 79 L 4.5309 7.8323 116.4894 53.9441 41.7665 177.4842 80 G 3.7895 7.5169 105.6452 45.8444 0.0000 174.1473 81 V 4.0226 7.5379 120.1721 60.2867 31.3292 173.9231 82 P 4.4607 0.0000 0.0000 62.5849 31.8206 175.9606 83 K 4.7305 8.2884 121.1296 54.0588 36.2581 176.4080 84 T 4.4521 10.5854 112.5205 60.5735 71.8689 175.3974 85 H 4.0277 8.6705 119.8361 59.4721 29.6740 176.7495 86 L 3.9716 7.8716 121.4336 58.1509 41.9865 178.5636 87 E 3.9724 7.9798 118.3044 59.7483 29.3708 179.3363 88 M 4.0363 8.1362 118.6852 58.0795 32.0201 178.4698 89 K 3.8104 7.9553 119.8587 59.8122 32.2440 178.9816 90 K 4.1433 8.0590 119.6506 58.9123 31.4950 179.1822 91 M 4.0250 8.2867 119.6306 58.4281 31.8216 178.9147 92 I 3.6427 7.6200 119.6626 64.4740 37.0383 178.7456 93 S 4.2390 7.9538 114.6642 61.0370 62.6121 176.1575 94 E 3.9862 8.2767 120.9797 58.9284 29.3992 178.7974 95 V 3.8015 7.0386 118.6656 65.4307 31.8144 177.4794 96 T 4.2621 7.8860 108.3615 61.9757 69.4053 175.9427 97 G 3.7329 7.9413 109.2275 45.2510 0.0000 174.8525 98 G 3.8688 7.9859 105.0695 45.5518 0.0000 175.6288 99 V 3.7071 7.3280 119.2957 65.1498 31.7208 175.9305 100 S 4.7236 7.5147 111.1283 56.5614 65.4012 173.0625 101 D 4.6507 8.6357 123.0732 55.4418 41.1753 176.2936 102 T 4.8263 7.4625 108.2598 59.8503 72.6034 173.8989 103 I 4.3912 8.6128 124.3611 59.9225 38.2925 176.0243 104 S 4.6311 8.6022 122.4118 58.0007 64.2652 174.8468 105 Y 3.4594 8.5647 120.4146 60.4446 38.2771 177.9083 106 R 4.0370 8.0238 118.5962 59.6573 30.3145 178.5812 107 D 4.3452 8.1805 118.4006 57.1824 40.7391 178.7444 108 F 3.8860 8.2554 121.2477 61.0578 39.3378 177.3481 109 V 2.8369 7.4322 117.8008 65.9756 31.0360 177.6019 110 N 4.2503 7.8165 114.8126 56.4880 38.4724 176.8888 111 M 4.0072 7.8187 119.3728 58.9959 32.1797 178.2656 112 M 3.6316 7.1450 117.2043 57.5178 31.9769 177.8560 113 L 4.5268 7.6295 116.8494 53.9083 42.5524 177.0149 114 G 3.9552 6.9370 108.3744 44.8864 0.0000 173.9097 115 K 4.2522 8.2898 117.5433 57.1393 32.8223 178.0741 116 R 4.0791 7.8911 117.4975 56.3266 30.5535 175.6414 117 S 4.7285 8.3696 113.8145 56.4791 65.4320 173.8931 118 A 4.9651 8.0112 123.7985 49.7026 22.9709 177.2600 119 V 3.4481 9.9312 123.0290 66.3822 31.5416 178.6683 120 L 3.9977 7.8612 119.1642 58.0455 41.7609 178.6057 121 K 3.8587 7.9065 118.2057 59.3915 32.1499 178.3259 122 L 4.0968 7.8394 119.3403 57.6934 41.5226 179.5928 123 V 3.5804 7.6004 117.7478 66.2228 31.2914 177.8546 124 M 4.3621 8.2131 116.9031 57.5358 31.8738 177.4079 125 M 4.5347 7.5536 116.9660 54.9364 32.8649 175.4189 126 F 4.4309 8.5679 118.9460 57.4732 41.8939 174.7824 127 E 4.2952 9.0453 122.9909 56.5350 29.5176 176.0678 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 13 K 8.17 4.26 0.00 1.87 1.89 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 14 A 8.05 3.85 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 15 F 8.70 4.01 0.00 2.97 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 16 G 7.81 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 0.00 0.00 0.00 0.00 17 L 7.81 3.90 0.00 1.90 1.72 0.92 0.69 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 18 L 7.76 4.00 0.00 1.67 1.67 0.88 0.55 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 19 K 7.94 3.93 0.00 1.76 1.77 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 20 A 8.06 3.98 1.40 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 21 R 8.02 3.89 0.00 2.04 1.99 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 22 Q 8.06 3.93 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 23 E 8.27 3.87 0.00 2.15 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 0.00 2.28 2.49 0.00 24 R 8.08 3.91 0.00 1.87 1.96 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 25 R 7.92 3.91 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 26 L 7.92 3.84 0.00 1.56 0.90 0.62 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.26 4.03 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 28 E 8.51 3.95 0.00 2.19 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 2.56 2.51 0.00 29 I 7.72 3.81 2.40 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 1.62 1.05 1.20 0.00 0.00 30 N 8.69 4.59 0.00 3.03 3.00 0.00 0.00 6.68 8.08 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 31 R 8.09 3.94 0.00 1.84 2.19 0.00 3.30 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 32 E 7.99 4.09 0.00 2.08 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 2.53 0.00 33 F 8.31 4.35 0.00 3.27 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 34 L 8.26 4.17 0.00 1.87 1.79 0.96 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 35 C 7.48 4.76 0.00 2.92 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 D 7.53 4.58 0.00 2.90 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 37 Q 8.91 4.05 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 38 K 8.01 3.73 0.00 1.25 0.95 0.00 1.33 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.25 7.81 39 Y 7.85 4.81 0.00 3.18 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 40 S 8.01 4.27 0.00 4.04 4.03 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 41 D 7.82 4.83 0.00 2.66 2.74 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 42 E 8.30 4.06 0.00 2.11 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 2.33 0.00 43 E 8.70 4.18 0.00 1.97 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 2.29 2.39 0.00 44 N 8.84 4.22 0.00 2.93 2.81 0.00 0.00 6.69 6.74 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 45 L 8.09 3.86 0.00 1.76 1.67 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.22 0.00 2.18 2.09 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 47 E 8.03 3.90 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 48 K 7.93 3.47 0.00 1.61 1.08 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.53 7.81 49 L 7.84 3.80 0.00 1.75 1.89 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.85 3.84 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 1.20 0.00 0.00 51 A 7.69 4.02 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 52 F 8.17 4.79 0.00 3.34 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 0.00 53 K 8.70 3.88 0.00 1.91 2.10 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.27 7.81 54 E 8.21 3.99 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 55 K 8.50 4.16 0.00 2.10 2.21 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.86 1.83 7.81 56 Y 8.46 3.82 0.00 2.92 2.94 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 57 M 7.78 4.34 0.00 1.99 2.12 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 2.77 2.73 0.00 58 E 7.97 4.12 0.00 2.06 1.87 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 2.32 2.60 0.00 59 F 7.24 4.05 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 60 D 8.42 4.53 0.00 2.74 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 61 L 7.98 4.46 0.00 1.62 1.49 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.60 4.75 0.00 2.85 3.09 0.00 0.00 7.18 7.42 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 63 N 8.81 4.22 0.00 2.73 2.95 0.00 0.00 6.72 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 64 E 8.37 4.46 0.00 1.96 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 2.24 2.24 0.00 65 G 8.17 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 66 E 8.43 5.52 0.00 2.02 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 2.34 2.31 0.00 67 I 8.60 4.29 1.70 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.32 0.64 0.00 0.00 68 D 8.20 5.05 0.00 2.67 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 69 L 8.68 3.87 0.00 1.74 1.69 0.83 0.59 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 70 M 8.11 4.07 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 71 S 8.37 4.38 0.00 4.04 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 72 L 7.98 4.20 0.00 1.96 1.75 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.46 3.80 0.00 1.77 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 74 R 8.08 4.07 0.00 2.06 1.95 0.00 3.38 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 75 M 8.04 3.98 0.00 2.22 1.91 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.11 0.00 76 M 8.51 4.10 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.94 0.00 77 E 8.34 3.95 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 78 K 7.92 3.99 0.00 1.72 2.00 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 79 L 7.83 4.53 0.00 1.67 1.70 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.52 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 81 V 7.54 4.02 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 0.81 0.00 0.00 1.03 0.00 0.00 82 P 0.00 4.46 0.00 2.22 2.06 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 83 K 8.29 4.73 0.00 1.70 1.69 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.35 7.81 84 T 10.59 4.45 4.26 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 1.26 0.00 0.00 85 H 8.67 4.03 0.00 3.28 3.36 0.00 5.87 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 86 L 7.87 3.97 0.00 1.82 1.66 0.94 0.99 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 87 E 7.98 3.97 0.00 2.15 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 2.32 2.35 0.00 88 M 8.14 4.04 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 89 K 7.96 3.81 0.00 2.03 1.92 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 90 K 8.06 4.14 0.00 1.98 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 91 M 8.29 4.03 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 92 I 7.62 3.64 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.62 0.96 0.00 0.00 93 S 7.95 4.24 0.00 4.05 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 94 E 8.28 3.99 0.00 2.12 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 0.00 2.55 2.29 0.00 95 V 7.04 3.80 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 0.86 0.00 0.00 0.93 0.00 0.00 96 T 7.89 4.26 4.31 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 1.37 0.00 0.00 97 G 7.94 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 0.00 0.00 0.00 98 G 7.99 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 0.00 0.00 0.00 99 V 7.33 3.71 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 0.76 0.00 0.00 0.97 0.00 0.00 100 S 7.51 4.72 0.00 3.81 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 0.00 101 D 8.64 4.65 0.00 2.71 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 0.00 102 T 7.46 4.83 4.36 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 1.22 0.00 0.00 103 I 8.61 4.39 1.91 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 1.31 0.58 1.07 0.00 0.00 104 S 8.60 4.63 0.00 3.95 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 0.00 105 Y 8.56 3.46 0.00 2.19 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 0.00 106 R 8.02 4.04 0.00 1.93 2.05 0.00 3.19 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 107 D 8.18 4.35 0.00 2.87 2.73 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 0.00 108 F 8.26 3.89 0.00 3.31 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 0.00 109 V 7.43 2.84 1.33 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 -0.37 0.00 0.00 0.05 0.00 0.00 110 N 7.82 4.25 0.00 2.81 2.93 0.00 0.00 7.09 7.78 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 0.00 111 M 7.82 4.01 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 112 M 7.15 3.63 0.00 0.53 0.71 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 1.28 1.51 0.00 113 L 7.63 4.53 0.00 1.36 1.68 0.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 G 6.94 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 0.00 115 K 8.29 4.25 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.40 7.81 116 R 7.89 4.08 0.00 1.76 1.85 0.00 3.15 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 117 S 8.37 4.73 0.00 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.97 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 0.00 119 V 9.93 3.45 2.12 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 0.95 0.00 0.00 0.92 0.00 0.00 120 L 7.86 4.00 0.00 1.83 1.65 1.13 0.62 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 0.00 121 K 7.91 3.86 0.00 1.65 1.92 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 122 L 7.84 4.10 0.00 1.77 1.50 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.60 3.58 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 1.08 0.00 0.00 0.92 0.00 0.00 124 M 8.21 4.36 0.00 2.13 2.28 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 2.78 3.10 0.00 125 M 7.55 4.53 0.00 2.06 2.19 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 2.72 2.58 0.00 126 F 8.57 4.43 0.00 3.22 2.90 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 0.00 127 E 9.05 4.30 0.00 2.11 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 2.52 2.47 0.00