NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3474 8.1227 123.5862 52.3465 19.0499 176.8872 2 T 3.9112 8.0398 116.1446 62.7911 68.0305 171.9273 3 S 4.7696 7.2062 113.4970 56.3303 66.7536 172.0495 4 T 4.4992 8.2276 112.8667 60.2153 69.2907 173.0331 5 K 4.4552 7.8519 122.9734 55.5445 36.1013 177.7546 6 K 4.1010 8.4053 119.6439 56.5549 32.5189 178.5114 7 L 4.7554 8.6504 128.5261 54.3118 44.8661 175.5128 8 H 5.0062 7.8348 114.8909 54.6841 30.2970 173.6734 9 K 4.5562 8.4812 122.9073 56.2662 33.0494 175.7774 10 E 4.9531 8.9587 122.4746 54.1908 34.7739 172.8708 11 P 4.9580 0.0000 0.0000 63.0267 32.7420 174.8591 12 A 4.9140 8.3673 120.4937 51.4195 22.9183 176.1190 13 T 4.4945 8.4687 115.1911 61.2546 71.5974 173.7269 14 L 4.1396 8.7709 128.8979 56.2117 42.2635 175.0870 15 I 4.4646 8.6214 124.1489 61.8944 39.5410 176.0538 16 K 4.4034 7.6619 124.2960 55.5102 34.9663 174.1517 17 A 4.5641 8.7208 131.2476 52.0044 19.5545 175.7155 18 I 4.2948 8.4807 121.1484 62.5707 39.2836 175.0543 19 D 5.4524 7.1542 116.6842 51.3115 44.0360 175.7873 20 G 4.0740 8.8275 107.6025 48.5352 0.0000 174.4283 21 D 4.8112 8.0784 117.5504 53.8368 41.4112 175.2997 22 T 4.9185 7.5587 116.4272 61.9560 72.2565 173.4465 23 V 4.7116 8.4988 119.5794 59.5800 36.2214 174.8630 24 K 4.7554 8.9270 126.2146 56.3792 33.1701 175.8181 25 L 5.5034 8.8271 127.8326 53.5333 45.9359 174.4426 26 M 5.1799 8.6359 120.9107 55.0176 35.2131 175.3185 27 Y 4.9367 8.9251 127.3572 56.8180 41.2186 176.0544 28 K 3.4835 8.9046 124.2350 56.7748 29.8265 176.6428 29 G 3.9868 8.4328 107.6790 44.8511 0.0000 173.5303 30 Q 4.7214 7.8865 117.8988 53.2695 30.9646 173.2639 31 P 4.9753 0.0000 0.0000 63.4009 32.4225 175.2766 32 M 4.7311 8.5247 118.2564 55.1691 37.3505 173.5188 33 T 5.0343 8.2716 116.7231 62.1842 71.6182 173.7532 34 F 5.1395 8.8637 122.0864 55.6060 43.1736 173.9352 35 R 5.6582 8.2085 121.5755 53.2171 32.1321 175.2600 36 L 4.0103 8.8135 125.9694 55.6050 41.7423 177.1133 37 L 4.3569 8.4468 122.7026 54.7999 43.2107 177.1782 38 L 3.9617 8.7850 118.8733 55.5279 39.4250 174.1878 39 V 5.0850 7.4270 109.6734 60.0428 36.2009 174.3829 40 D 5.4461 9.0555 120.5107 53.5255 44.8260 174.9845 41 T 4.5395 8.5782 115.8544 59.8799 70.2344 173.2373 42 P 4.3214 0.0000 0.0000 62.2926 30.0408 176.0521 43 E 3.6670 7.8799 118.3912 57.7063 26.6732 175.0578 44 T 4.7197 7.7092 122.7011 61.0488 68.1718 176.1133 45 K 3.8537 8.4148 120.9253 58.0984 33.2438 176.1761 46 H 3.8932 7.3905 115.7589 56.7395 28.0637 171.8298 47 P 4.4453 0.0000 0.0000 64.9903 31.7772 177.0485 48 K 4.4150 6.9892 119.5823 56.2522 40.3500 175.2782 49 K 3.9992 8.2943 125.8006 56.1274 32.9736 177.6508 50 G 3.8569 7.7226 108.8813 45.1911 0.0000 174.4520 51 V 3.4020 7.9209 116.4398 63.3241 31.6957 176.6320 52 E 3.8361 7.6745 116.8515 57.3752 26.6574 174.1757 53 K 4.1001 6.8499 117.0251 55.7547 34.6626 175.4695 54 Y 4.9288 7.4146 111.6894 57.5659 39.3244 178.1448 55 G 3.8081 8.0895 109.3762 47.5079 0.0000 174.1550 56 P 4.6389 0.0000 0.0000 61.1959 30.7372 174.8566 57 E 4.8887 8.1235 127.0508 57.1820 37.4300 177.2067 58 A 3.9720 8.1644 120.2029 55.2847 18.5606 179.1699 59 S 4.2115 8.2647 113.0291 62.1857 62.9573 176.9454 60 A 4.0369 8.0646 122.4645 54.8808 18.1957 178.8657 61 F 3.9016 8.2061 119.6601 62.0911 39.5520 177.7237 62 T 4.1115 8.2925 108.6702 64.7834 68.6895 175.5156 63 K 3.9396 8.1134 123.2826 59.3864 32.1093 178.5718 64 K 3.9315 8.4869 118.6316 60.2639 32.3549 177.9459 65 M 3.7548 7.9113 117.0209 59.3474 31.5879 178.1028 66 V 3.7208 7.7314 117.6074 64.1083 32.2787 178.1740 67 E 4.1065 8.0007 118.0234 58.5359 29.3766 177.8530 68 N 4.6840 7.9379 113.7967 52.1851 39.8502 175.3642 69 A 4.4858 6.9598 122.9963 51.6700 18.9539 178.0812 70 K 4.2014 8.7189 120.7977 58.8074 32.6598 177.3002 71 K 4.7663 7.5691 116.2174 55.0396 37.1812 175.1236 72 I 4.7890 8.2995 121.8849 59.8529 40.9810 174.4346 73 E 5.1771 8.9267 124.8552 54.6248 34.2160 175.0588 74 V 5.3965 8.5727 112.2334 58.9524 36.6023 174.8697 75 E 4.5110 8.5688 123.8621 54.1517 31.1399 174.3782 76 F 4.8462 8.4614 125.7806 56.8349 40.4354 175.7545 77 D 5.0323 8.6563 122.6696 53.5235 42.5422 175.4795 78 K 4.2916 8.6473 117.5167 58.7543 33.6150 178.8994 79 G 4.4955 7.8046 109.2942 44.7136 0.0000 172.9022 80 Q 4.1906 8.5689 120.5225 56.2763 29.5762 175.9554 81 R 4.5371 8.3675 117.8583 56.6183 31.2033 175.6496 82 T 5.6408 7.2588 105.1933 59.7018 72.1600 173.6980 83 D 4.7227 8.2024 123.1247 53.1721 43.1205 176.7803 84 K 4.0077 8.2698 117.6015 59.3598 31.6178 176.9065 85 Y 4.3219 7.7372 116.9740 57.5766 38.1898 176.5924 86 G 3.8536 7.9216 107.4095 45.8986 0.0000 174.0483 87 R 4.1651 7.3185 118.8547 55.2192 31.9711 175.9021 88 G 3.6760 8.1230 110.1389 45.4756 0.0000 172.4056 89 L 5.0704 8.3998 125.0132 53.3294 43.8147 175.7138 90 A 3.9959 8.0093 123.9386 51.7936 22.4581 174.2037 91 Y 4.4207 8.0033 116.6040 56.5702 39.8694 175.9213 92 I 4.4620 8.0782 125.7514 61.0563 39.1208 174.4028 93 Y 5.6298 9.1614 123.8775 55.4467 40.9951 174.3257 94 A 5.0324 8.4754 125.8803 49.8393 21.7786 176.1414 95 D 4.2790 9.4606 121.7066 55.5168 38.2463 175.1169 96 G 4.0643 8.5730 104.3934 45.9544 0.0000 173.8319 97 K 4.6014 7.7204 119.3555 53.7460 35.2764 175.3414 98 M 4.1508 8.4415 122.7314 54.5408 32.3571 176.8006 99 V 3.5790 8.1022 127.5356 66.3741 31.7809 177.2363 100 N 4.2515 8.1579 115.4382 56.7075 38.3423 176.7452 101 E 3.9303 8.1785 120.1707 58.9833 29.6957 178.5947 102 A 4.0869 8.0836 120.9771 55.1458 18.4617 179.5121 103 L 3.3020 7.8711 116.8224 57.9636 41.6721 179.9243 104 V 3.6934 7.5754 117.1527 65.7198 31.0903 178.2674 105 R 3.9662 7.7270 117.5219 58.7385 30.0001 177.5422 106 Q 4.3855 7.7273 116.7154 54.6052 29.7904 175.4491 107 G 4.3388 7.3497 105.1418 46.2637 0.0000 174.0816 108 L 4.4298 7.8155 116.8412 54.4360 44.4908 178.5695 109 A 4.8230 7.7503 119.5045 49.8086 21.7509 175.7864 110 K 4.7297 8.4467 121.4942 55.0823 35.4423 176.3301 111 V 4.7555 8.0295 121.8017 63.2232 31.9881 174.8587 112 A 4.0850 8.6166 126.8711 51.5332 21.8761 175.1652 113 Y 3.5999 7.7868 114.6305 59.1900 34.5636 171.3081 114 V 4.0663 6.8028 117.5661 61.1963 32.6907 174.3750 115 Y 4.7434 8.1098 124.8330 55.7540 40.9187 175.7276 116 K 4.3703 8.8137 124.5987 56.2314 32.7197 174.9547 117 P 4.7262 0.0000 0.0000 63.1158 31.8647 177.2266 118 N 4.9809 7.9403 119.2102 52.2586 36.5536 175.4193 119 N 4.9395 7.8729 117.8498 52.8144 38.2504 178.0443 120 T 3.8715 8.3485 118.6000 67.7070 68.6187 174.9901 121 H 4.7879 7.9925 116.9826 56.0030 29.2304 176.6830 122 E 4.0591 8.0653 123.4583 58.6766 29.4598 178.3124 123 Q 3.8834 7.9257 119.5639 59.0934 29.3880 177.5070 124 L 3.9475 7.8365 120.8614 58.2503 42.2293 178.7167 125 L 4.6685 7.6842 119.8152 56.9242 41.4932 178.9301 126 R 3.9168 7.8405 119.7802 58.8277 30.2233 178.2530 127 K 3.8817 8.1870 118.5399 59.9780 32.4191 179.2793 128 S 4.0016 7.8636 114.8368 61.3844 63.0140 175.9474 129 E 3.7345 8.0886 123.3722 58.7119 29.2892 178.6281 130 A 3.6890 7.7496 120.5952 55.0977 18.4047 179.4125 131 Q 3.7973 7.7617 117.3959 59.1454 28.6470 178.2956 132 A 3.8969 7.7057 121.8822 54.7152 18.3020 179.7714 133 K 3.2533 7.0492 116.9719 59.5140 31.9256 179.7957 134 K 4.0695 7.4234 116.1623 58.7966 32.0063 178.6386 135 E 4.1230 7.9308 117.4729 55.8754 30.9276 176.3582 136 K 4.6761 7.3406 117.0369 56.3563 29.7901 176.8973 137 L 4.5365 7.7602 119.2701 53.7043 42.9688 180.0715 138 N 4.4729 8.6521 126.2171 53.9390 36.6681 176.6233 139 I 3.2683 8.1768 123.9192 64.4543 37.9677 176.3473 140 W 4.6602 7.4656 119.7345 57.0360 28.5205 176.7534 141 S 4.6478 7.2856 113.2875 59.7096 64.5647 178.4517 142 E 4.4023 7.9257 126.1620 57.1865 32.1093 176.5624 143 D 4.6706 7.3950 111.8243 52.2758 42.4411 174.0085 144 N 4.1867 7.0967 118.6997 52.7628 39.4496 175.6594 145 A 4.6511 8.0862 121.8703 49.1940 18.5907 174.5331 146 D 4.4582 8.0861 117.1515 53.9469 44.7576 175.1183 147 S 3.7578 8.7851 120.8226 59.0042 59.5746 173.2066 148 G 4.2300 7.4545 111.1195 44.0756 0.0000 170.8593 149 Q 4.0477 7.9606 123.5528 55.8144 29.8511 175.4507 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 A 8.12 4.35 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 2 T 8.04 3.91 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 3 S 7.21 4.77 0.00 3.87 3.69 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 4 T 8.23 4.50 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 1.20 0.00 0.00 5 K 7.85 4.46 0.00 1.67 1.66 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.50 7.81 6 K 8.41 4.10 0.00 1.78 1.58 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.51 7.81 7 L 8.65 4.76 0.00 1.97 2.06 1.25 1.05 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 8 H 7.83 5.01 0.00 3.23 3.42 0.00 5.77 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.48 4.56 0.00 1.67 1.70 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.46 7.81 10 E 8.96 4.95 0.00 2.35 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 2.26 2.37 0.00 11 P 0.00 4.96 0.00 2.09 2.07 0.00 3.85 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 1.97 1.97 0.00 12 A 8.37 4.91 1.20 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 0.00 0.00 13 T 8.47 4.49 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 1.22 0.00 0.00 14 L 8.77 4.14 0.00 1.63 1.58 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.62 4.46 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.03 0.94 0.00 0.00 16 K 7.66 4.40 0.00 1.81 1.64 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.72 4.56 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 18 I 8.48 4.29 1.88 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 1.42 0.84 0.91 0.00 0.00 19 D 7.15 5.45 0.00 2.65 2.60 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 20 G 8.83 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 0.00 0.00 0.00 21 D 8.08 4.81 0.00 2.74 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 22 T 7.56 4.92 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 1.20 0.00 0.00 23 V 8.50 4.71 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 0.82 0.00 0.00 0.98 0.00 0.00 24 K 8.93 4.76 0.00 1.92 1.81 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.45 7.81 25 L 8.83 5.50 0.00 1.55 1.61 0.56 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.64 5.18 0.00 2.17 2.05 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 2.67 2.53 0.00 27 Y 8.93 4.94 0.00 3.43 3.10 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 28 K 8.90 3.48 0.00 1.85 1.86 0.00 1.01 0.00 0.00 0.61 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.32 7.81 29 G 8.43 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 0.00 0.00 0.00 30 Q 7.89 4.72 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 31 P 0.00 4.98 0.00 2.25 2.13 0.00 3.85 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 2.02 2.01 0.00 32 M 8.52 4.73 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 33 T 8.27 5.03 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 1.22 0.00 0.00 34 F 8.86 5.14 0.00 3.15 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 35 R 8.21 5.66 0.00 1.75 1.75 0.00 3.28 0.00 0.00 3.11 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 36 L 8.81 4.01 0.00 1.73 1.64 1.04 1.05 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 37 L 8.45 4.36 0.00 1.24 1.51 0.62 0.69 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 38 L 8.79 3.96 0.00 2.01 1.86 1.19 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.43 5.09 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 0.73 0.00 0.00 1.12 0.00 0.00 40 D 9.06 5.45 0.00 2.76 2.37 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 41 T 8.58 4.54 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 1.31 0.00 0.00 42 P 0.00 4.32 0.00 2.22 1.92 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 43 E 7.88 3.67 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 2.22 2.34 0.00 44 T 7.71 4.72 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 1.31 0.00 0.00 45 K 8.41 3.85 0.00 1.91 1.94 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 46 H 7.39 3.89 0.00 3.17 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.45 0.00 2.22 2.16 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 48 K 6.99 4.41 0.00 1.71 1.63 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.40 7.81 49 K 8.29 4.00 0.00 1.67 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.46 7.81 50 G 7.72 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.92 3.40 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 0.87 0.00 0.00 0.90 0.00 0.00 52 E 7.67 3.84 0.00 1.93 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 2.19 2.45 0.00 53 K 6.85 4.10 0.00 1.54 1.27 0.00 1.42 0.00 0.00 1.06 0.00 0.00 2.59 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.21 7.81 54 Y 7.41 4.93 0.00 3.05 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 55 G 8.09 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 56 P 0.00 4.64 0.00 2.23 2.16 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 57 E 8.12 4.89 0.00 2.09 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 2.37 2.37 0.00 58 A 8.16 3.97 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 59 S 8.26 4.21 0.00 3.92 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 60 A 8.06 4.04 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 61 F 8.21 3.90 0.00 3.31 3.32 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 62 T 8.29 4.11 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 1.41 0.00 0.00 63 K 8.11 3.94 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.49 7.81 64 K 8.49 3.93 0.00 1.80 1.76 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 65 M 7.91 3.75 0.00 2.10 1.64 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 2.52 2.61 0.00 66 V 7.73 3.72 2.06 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 0.78 0.00 0.00 1.02 0.00 0.00 67 E 8.00 4.11 0.00 2.08 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 2.44 0.00 68 N 7.94 4.68 0.00 2.71 2.82 0.00 0.00 6.91 6.59 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 69 A 6.96 4.49 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 70 K 8.72 4.20 0.00 1.76 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 71 K 7.57 4.77 0.00 1.66 1.64 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.47 7.81 72 I 8.30 4.79 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 1.32 0.54 0.85 0.00 0.00 73 E 8.93 5.18 0.00 1.98 1.90 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 2.28 2.26 0.00 74 V 8.57 5.40 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 0.12 0.00 0.00 0.85 0.00 0.00 75 E 8.57 4.51 0.00 2.28 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 76 F 8.46 4.85 0.00 3.14 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 77 D 8.66 5.03 0.00 2.75 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 78 K 8.65 4.29 0.00 1.95 1.98 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 79 G 7.80 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 0.00 0.00 0.00 0.00 80 Q 8.57 4.19 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 81 R 8.37 4.54 0.00 1.69 1.71 0.00 2.55 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.25 0.00 82 T 7.26 5.64 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 83 D 8.20 4.72 0.00 2.73 2.67 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 84 K 8.27 4.01 0.00 1.49 1.66 0.00 1.01 0.00 0.00 1.39 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.91 0.21 7.81 85 Y 7.74 4.32 0.00 3.03 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 86 G 7.92 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 87 R 7.32 4.17 0.00 1.88 1.76 0.00 3.06 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 88 G 8.12 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 5.07 0.00 1.65 1.55 1.02 0.49 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 90 A 8.01 4.00 0.40 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 91 Y 8.00 4.42 0.00 3.08 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 92 I 8.08 4.46 1.75 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 1.10 0.78 0.87 0.00 0.00 93 Y 9.16 5.63 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 94 A 8.48 5.03 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 95 D 9.46 4.28 0.00 2.98 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 96 G 8.57 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 0.00 0.00 0.00 97 K 7.72 4.60 0.00 1.94 1.65 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 98 M 8.44 4.15 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 99 V 8.10 3.58 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 0.98 0.00 0.00 0.92 0.00 0.00 100 N 8.16 4.25 0.00 2.83 2.91 0.00 0.00 7.00 7.67 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 0.00 101 E 8.18 3.93 0.00 2.02 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 2.29 2.30 0.00 102 A 8.08 4.09 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 0.00 103 L 7.87 3.30 0.00 1.81 1.58 0.95 0.63 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 0.00 104 V 7.58 3.69 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 1.12 0.00 0.00 0.97 0.00 0.00 105 R 7.73 3.97 0.00 2.04 2.00 0.00 3.37 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 106 Q 7.73 4.39 0.00 1.92 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 107 G 7.35 4.34 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 0.00 108 L 7.82 4.43 0.00 1.10 1.44 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.75 4.82 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 0.00 110 K 8.45 4.73 0.00 2.21 2.05 0.00 1.24 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.21 1.33 7.81 111 V 8.03 4.76 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 0.82 0.00 0.00 0.97 0.00 0.00 112 A 8.62 4.09 0.92 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 0.00 113 Y 7.79 3.60 0.00 3.29 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 0.00 114 V 6.80 4.07 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 0.77 0.00 0.00 0.85 0.00 0.00 115 Y 8.11 4.74 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.81 4.37 0.00 1.80 1.80 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.48 7.81 117 P 0.00 4.73 0.00 2.22 2.18 0.00 3.82 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 1.99 2.01 0.00 118 N 7.94 4.98 0.00 3.01 2.90 0.00 0.00 6.62 8.55 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 0.00 119 N 7.87 4.94 0.00 2.85 3.00 0.00 0.00 6.15 7.25 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 0.00 120 T 8.35 3.87 4.30 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 1.12 0.00 0.00 121 H 7.99 4.79 0.00 2.58 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.07 4.06 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 2.31 2.32 0.00 123 Q 7.93 3.88 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 124 L 7.84 3.95 0.00 1.78 1.61 0.90 0.60 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 0.00 125 L 7.68 4.67 0.00 1.72 1.72 1.05 0.63 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 0.00 126 R 7.84 3.92 0.00 2.16 1.92 0.00 3.09 0.00 0.00 3.20 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 127 K 8.19 3.88 0.00 2.01 2.04 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.43 7.81 128 S 7.86 4.00 0.00 4.04 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.09 3.73 0.00 2.17 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 2.04 2.43 0.00 130 A 7.75 3.69 1.20 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 0.00 0.00 131 Q 7.76 3.80 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 132 A 7.71 3.90 1.10 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 0.00 133 K 7.05 3.25 0.00 1.39 1.59 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.60 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 0.21 7.81 134 K 7.42 4.07 0.00 1.64 1.82 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.56 7.81 135 E 7.93 4.12 0.00 2.16 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 2.32 2.31 0.00 136 K 7.34 4.68 0.00 1.91 1.89 0.00 1.83 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.68 7.81 137 L 7.76 4.54 0.00 1.71 1.88 1.00 0.77 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 0.00 138 N 8.65 4.47 0.00 2.86 2.33 0.00 0.00 7.08 7.35 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 0.00 139 I 8.18 3.27 0.84 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 -0.08 0.00 0.00 140 W 7.47 4.66 0.00 3.50 3.18 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 0.00 141 S 7.29 4.65 0.00 4.06 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 4.40 0.00 1.97 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 2.33 2.30 0.00 143 D 7.39 4.67 0.00 2.62 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 0.00 144 N 7.10 4.19 0.00 2.83 2.76 0.00 0.00 6.10 7.63 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 0.00 145 A 8.09 4.65 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 0.00 146 D 8.09 4.46 0.00 2.57 2.48 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 0.00 147 S 8.79 3.76 0.00 4.03 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.45 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.96 4.05 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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