NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2375 8.2649 123.5831 51.3434 19.8755 176.2787 3 R 4.5187 8.4384 118.0949 56.1631 30.5690 173.9935 4 I 3.8919 8.5728 127.1933 61.9122 38.6881 177.1049 5 A 4.1855 8.7269 127.2552 51.8820 19.8903 177.3405 6 G 4.2732 8.6622 107.5299 46.6865 0.0000 173.6362 7 V 3.4129 8.3571 118.6637 61.8671 29.7778 172.9772 8 E 4.6564 8.9835 119.6496 55.3656 30.6928 176.3239 9 I 5.1475 7.8524 123.5552 59.3671 38.6325 171.7608 10 P 4.4406 0.0000 0.0000 61.8690 32.8413 176.3334 11 R 4.4337 7.6522 119.6154 55.3536 33.2762 174.6033 12 N 4.1466 8.7652 115.7221 53.9661 38.4521 173.3583 13 K 4.6548 7.4174 115.4589 54.4951 35.4451 175.5513 14 R 4.2958 8.4335 118.8152 56.8722 31.1931 177.5285 15 V 3.5734 8.6030 123.9507 66.3726 31.3177 177.7663 16 D 4.8235 8.2349 117.9493 56.9526 38.7142 178.6744 17 V 3.6557 9.3564 118.7717 65.2021 31.7536 177.6073 18 A 4.0007 8.4602 120.7536 55.2619 18.2985 179.4605 19 L 4.0867 9.0386 118.5555 58.4892 41.4093 179.8513 20 T 4.1250 7.6332 114.8643 66.7838 68.4176 174.9947 21 Y 4.0974 8.4942 114.9069 58.9748 37.6597 175.7417 22 I 5.3115 7.3052 120.5753 58.9483 38.6819 174.4980 23 Y 4.3448 9.6133 124.5458 61.3694 38.9682 178.1717 24 G 3.6103 7.8268 108.2389 45.7412 0.0000 172.7820 25 I 4.1607 7.6533 120.4840 58.8498 40.1022 175.3851 26 G 4.1549 7.8993 113.1532 43.0099 0.0000 173.5472 27 K 4.0132 8.4401 116.9334 59.2520 31.2658 179.0357 28 A 4.0722 7.8319 121.3282 55.0394 18.4982 179.5677 29 R 3.8595 7.6805 114.9979 58.9163 30.0654 179.3338 30 A 4.1009 7.9861 120.7028 55.0965 18.2600 179.3701 31 K 4.1349 7.9162 117.0731 58.1012 32.1595 177.8680 32 E 4.1169 7.7950 117.6865 59.1713 30.3301 177.5308 33 A 4.5454 8.9441 120.9502 55.2462 18.3822 179.5015 34 L 4.0833 8.1945 117.7015 57.8351 41.7726 178.4057 35 E 3.8841 7.6843 119.2747 59.1736 29.2709 178.9030 36 K 3.6962 8.3418 119.0311 60.0199 32.2321 178.9134 37 T 3.8657 7.8025 110.7516 63.8138 68.0537 175.8006 38 G 3.9036 7.6500 105.7480 46.5238 0.0000 172.0833 39 I 4.4968 8.2547 122.7420 59.5508 41.5222 174.9623 40 N 4.2608 8.9612 123.7107 53.6277 39.4226 172.6206 41 P 4.3342 0.0000 0.0000 65.7386 31.5935 178.2145 42 A 4.1069 8.0888 118.4612 53.8493 18.5961 177.3373 43 T 4.2698 7.7959 107.5281 60.5381 70.2334 174.7375 44 R 4.3769 8.3511 123.5969 55.9223 31.1492 177.6279 45 V 3.6149 8.3550 122.3954 65.9926 31.7869 178.4111 46 K 3.9329 8.0844 117.4132 60.1209 32.3769 177.4278 47 D 4.6809 7.7476 115.9594 54.3110 41.5310 179.2624 48 L 4.5160 7.2026 118.7637 54.3577 41.1225 177.0871 49 T 4.6585 8.1288 118.2303 61.9855 73.6163 173.7159 50 E 3.9204 8.8477 124.9359 59.5235 29.9446 178.8013 51 A 4.1153 7.9999 120.0151 55.3403 18.4818 178.9953 52 E 3.8996 8.1575 115.9559 59.7136 29.9159 179.6524 53 V 3.7897 8.6862 118.0897 64.7081 31.3716 177.2475 54 V 4.0292 7.6830 117.0307 65.6365 32.1939 177.6385 55 R 3.9176 7.8409 117.2402 59.2410 29.8855 178.7023 56 L 4.0277 8.5467 120.3822 58.2076 41.6920 178.9577 57 R 3.9582 7.6010 117.5208 59.3560 29.8603 178.3020 58 E 3.9794 8.4530 118.8988 59.4959 29.4896 178.4308 59 Y 3.9437 8.1946 119.0368 61.0549 38.6826 177.4540 60 V 3.2741 7.6208 119.4528 64.1124 31.3762 177.2190 61 E 4.1227 7.8400 119.7644 58.1420 29.8234 177.3606 62 N 4.6344 9.1913 116.8389 53.8204 39.1246 173.2885 63 T 3.5023 7.4952 126.5883 62.9044 65.5416 172.1911 64 W 5.1151 6.9135 119.1242 54.6479 32.9621 174.4664 65 K 4.4024 8.6891 120.5288 55.2401 31.7077 174.8174 66 L 4.8674 7.9863 127.2497 54.5024 45.8762 176.7996 67 E 4.0083 9.0228 115.3894 57.3695 30.9411 178.8820 68 G 3.9752 8.4303 112.9786 48.7685 0.0000 174.4878 69 E 3.9874 7.8207 122.3266 59.3376 29.6118 178.4135 70 L 4.0624 8.4658 119.0951 57.6120 41.7521 179.3550 71 R 4.0433 8.3974 116.9130 59.6805 30.0614 178.6712 72 A 3.9533 8.1092 120.1402 55.8431 18.2436 178.6316 73 E 3.8930 8.4394 116.6948 59.5352 29.7985 179.2564 74 V 3.0276 8.5603 113.9563 65.7467 31.9839 177.8908 75 A 4.0127 8.3978 119.4108 55.6615 18.4854 179.6935 76 A 3.9735 7.9839 117.1842 55.1009 18.5604 179.5468 77 N 4.4079 8.7967 115.9773 56.5564 37.4007 177.3383 78 I 3.5745 7.7599 120.6284 64.3444 37.2576 177.8177 79 K 3.7862 8.2779 120.6207 60.2739 31.8601 177.8185 80 R 3.9851 8.1522 119.5036 59.1406 29.8673 177.9130 81 L 3.9164 7.8112 116.5348 58.1339 40.7720 178.5705 82 M 4.2090 7.6375 117.9751 57.1926 32.7976 176.6660 83 D 4.5957 8.8255 119.3831 56.5563 41.7379 176.8764 84 I 4.0575 7.9443 111.2204 60.7401 38.4560 176.7367 85 G 3.6923 9.0532 112.9274 49.6095 0.0000 175.4100 86 C 3.8768 7.7847 121.3669 58.8450 29.6948 172.8254 87 Y 4.1736 8.7566 132.0285 61.2280 38.0209 177.7999 88 R 3.7444 8.3598 117.3810 59.5185 30.1559 178.1858 89 G 4.2223 8.3227 106.8897 47.3243 0.0000 175.3550 90 L 3.9324 7.8315 121.8034 57.7651 41.7767 179.6288 91 R 3.4929 7.8544 117.8335 59.7202 29.6656 178.8951 92 H 4.1225 7.9213 114.9087 58.7867 28.8161 177.6393 93 R 4.0734 7.8175 117.9784 59.6095 30.0971 179.0282 94 R 4.0525 8.5461 117.1004 57.3509 30.0570 178.1810 95 G 3.9108 7.7803 105.0473 45.1869 0.0000 173.2675 96 L 4.4860 7.2727 118.8083 52.1717 43.1671 174.6677 97 P 4.2695 0.0000 0.0000 63.4228 31.8362 176.4697 98 V 3.8024 8.2061 119.8864 65.2364 32.1118 177.9246 99 R 4.3814 7.9046 118.1331 57.4068 29.7741 177.1150 100 G 4.0372 7.9792 102.5938 46.7663 0.0000 172.7758 101 Q 4.8836 7.5441 119.5036 54.3241 32.2141 175.0032 102 R 4.4070 8.4006 115.1297 56.4429 30.5735 176.1096 103 T 4.5797 8.3999 110.3670 61.4981 69.2427 174.6057 104 R 4.4016 8.0555 123.9899 58.3083 31.6718 176.1670 105 T 4.3009 7.4463 110.8524 62.5706 69.3384 176.4704 106 N 3.9614 7.8282 115.3212 53.6062 35.2049 174.0352 107 A 4.5581 8.2114 121.9081 52.8260 20.9151 178.1703 108 R 3.9209 8.2332 117.8943 60.9962 30.4685 179.0323 109 T 3.7796 7.5917 111.9576 64.9923 67.7649 174.5814 110 R 4.2701 7.5358 119.7650 57.4374 30.7624 177.3123 111 K 4.1286 8.4027 117.3068 58.4004 32.9992 175.6055 112 G 3.9266 7.9827 102.6334 43.5779 0.0000 171.3906 113 P 4.4603 0.0000 0.0000 61.8379 32.2031 176.2566 114 R 3.9944 8.3586 120.1637 56.5689 30.5996 178.1609 115 K 4.3536 8.4417 127.1501 55.8750 31.4993 177.5457 116 T 3.6984 7.2655 113.4921 63.9842 69.2153 174.1250 117 V 4.3553 8.0464 124.3902 60.3624 34.4219 174.5679 118 A 4.2470 8.3323 125.7049 52.1245 18.9908 177.5227 119 G 4.0235 8.0261 108.8641 44.8675 0.0000 171.6674 120 K 4.3707 8.4538 120.0173 55.1817 31.7805 175.5351 121 K 4.2739 7.6805 121.7920 56.2304 34.7222 175.9491 122 K 3.7849 7.7766 123.0284 58.1366 33.5963 176.1808 123 A 3.6269 8.4539 122.7871 58.6471 14.4434 180.7194 124 P 3.9715 0.0000 0.0000 62.9483 27.6321 176.5962 125 R 3.6728 7.9727 115.0228 59.0039 29.7426 177.9751 126 K 4.1907 7.3715 121.0776 56.5849 31.8985 175.9100 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 2 A 8.26 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 3 R 8.44 4.52 0.00 1.91 1.97 0.00 3.24 0.00 0.00 3.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 4 I 8.57 3.89 1.92 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 1.38 0.82 0.97 0.00 0.00 5 A 8.73 4.19 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 6 G 8.66 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 0.00 0.00 0.00 0.00 7 V 8.36 3.41 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 0.71 0.00 0.00 0.94 0.00 0.00 8 E 8.98 4.66 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 9 I 7.85 5.15 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.37 0.93 0.00 0.00 10 P 0.00 4.44 0.00 2.05 2.15 0.00 3.93 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 11 R 7.65 4.43 0.00 1.76 1.70 0.00 3.31 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 12 N 8.77 4.15 0.00 2.83 2.82 0.00 0.00 6.79 6.68 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 13 K 7.42 4.65 0.00 1.71 1.61 0.00 1.47 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.28 7.81 14 R 8.43 4.30 0.00 1.96 2.06 0.00 3.17 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 15 V 8.60 3.57 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 1.09 0.00 0.00 0.99 0.00 0.00 16 D 8.23 4.82 0.00 3.02 2.97 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 17 V 9.36 3.66 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 0.96 0.00 0.00 0.98 0.00 0.00 18 A 8.46 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 19 L 9.04 4.09 0.00 1.80 1.86 1.03 0.81 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 20 T 7.63 4.13 4.48 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 1.29 0.00 0.00 21 Y 8.49 4.10 0.00 3.07 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 22 I 7.31 5.31 2.03 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 1.26 1.19 1.01 0.00 0.00 23 Y 9.61 4.34 0.00 3.22 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 24 G 7.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.65 4.16 1.99 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 1.13 0.72 0.90 0.00 0.00 26 G 7.90 4.15 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 0.00 0.00 0.00 27 K 8.44 4.01 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.46 7.81 28 A 7.83 4.07 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 29 R 7.68 3.86 0.00 1.29 0.66 0.00 2.41 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.18 0.00 30 A 7.99 4.10 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 31 K 7.92 4.13 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 32 E 7.80 4.12 0.00 2.32 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 2.39 2.46 0.00 33 A 8.94 4.55 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 0.00 0.00 0.00 0.00 0.00 34 L 8.19 4.08 0.00 1.77 1.94 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.68 3.88 0.00 2.16 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 2.31 2.38 0.00 36 K 8.34 3.70 0.00 0.90 1.16 0.00 1.20 0.00 0.00 1.31 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.24 7.81 37 T 7.80 3.87 4.39 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 1.25 0.00 0.00 38 G 7.65 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.25 4.50 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.98 0.00 0.00 40 N 8.96 4.26 0.00 2.68 2.76 0.00 0.00 7.21 7.69 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 41 P 0.00 4.33 0.00 2.24 2.15 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 42 A 8.09 4.11 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 43 T 7.80 4.27 4.24 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 1.27 0.00 0.00 44 R 8.35 4.38 0.00 2.05 1.88 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 45 V 8.35 3.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 46 K 8.08 3.93 0.00 1.87 1.92 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.52 7.81 47 D 7.75 4.68 0.00 2.86 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 48 L 7.20 4.52 0.00 1.89 1.52 0.94 0.84 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 49 T 8.13 4.66 4.59 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 1.24 0.00 0.00 50 E 8.85 3.92 0.00 1.94 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 2.30 2.45 0.00 51 A 8.00 4.12 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 E 8.16 3.90 0.00 2.17 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 2.41 2.38 0.00 53 V 8.69 3.79 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 1.01 0.00 0.00 0.99 0.00 0.00 54 V 7.68 4.03 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 1.10 0.00 0.00 1.04 0.00 0.00 55 R 7.84 3.92 0.00 2.02 1.97 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 56 L 8.55 4.03 0.00 1.91 1.70 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.60 3.96 0.00 2.27 2.07 0.00 3.15 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 58 E 8.45 3.98 0.00 2.19 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 2.67 2.46 0.00 59 Y 8.19 3.94 0.00 2.84 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 60 V 7.62 3.27 2.22 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 1.15 0.00 0.00 1.12 0.00 0.00 61 E 7.84 4.12 0.00 2.04 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 2.38 2.49 0.00 62 N 9.19 4.63 0.00 2.80 2.66 0.00 0.00 7.13 7.48 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 63 T 7.50 3.50 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 -0.72 0.00 0.00 64 W 6.91 5.12 0.00 3.35 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 65 K 8.69 4.40 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.50 7.81 66 L 7.99 4.87 0.00 1.81 1.67 1.09 1.13 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 67 E 9.02 4.01 0.00 2.14 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 2.44 2.59 0.00 68 G 8.43 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 0.00 0.00 0.00 69 E 7.82 3.99 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 70 L 8.47 4.06 0.00 2.20 2.02 0.61 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.40 4.04 0.00 1.91 1.95 0.00 2.89 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.28 0.00 72 A 8.11 3.95 1.44 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 0.00 0.00 0.00 73 E 8.44 3.89 0.00 1.99 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 2.34 2.33 0.00 74 V 8.56 3.03 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 0.97 0.00 0.00 1.04 0.00 0.00 75 A 8.40 4.01 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 76 A 7.98 3.97 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 77 N 8.80 4.41 0.00 2.94 2.80 0.00 0.00 6.83 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.76 3.57 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.49 0.00 0.00 79 K 8.28 3.79 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.60 7.81 80 R 8.15 3.99 0.00 1.93 2.17 0.00 3.20 0.00 0.00 3.32 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 81 L 7.81 3.92 0.00 1.85 1.93 0.94 0.81 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 82 M 7.64 4.21 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 83 D 8.83 4.60 0.00 2.84 2.68 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 84 I 7.94 4.06 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 1.54 0.54 0.92 0.00 0.00 85 G 9.05 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 0.00 0.00 0.00 86 C 7.78 3.88 0.00 3.07 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 87 Y 8.76 4.17 0.00 3.07 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 88 R 8.36 3.74 0.00 1.90 1.99 0.00 3.33 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 1.62 1.71 0.00 89 G 8.32 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.83 3.93 0.00 1.67 1.71 1.02 0.98 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 91 R 7.85 3.49 0.00 1.63 1.90 0.00 2.94 0.00 0.00 2.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.22 0.00 92 H 7.92 4.12 0.00 3.33 3.31 0.00 5.67 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 93 R 7.82 4.07 0.00 1.89 1.99 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 94 R 8.55 4.05 0.00 1.66 1.97 0.00 3.34 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 95 G 7.78 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 0.00 0.00 0.00 96 L 7.27 4.49 0.00 1.59 1.58 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.27 0.00 2.41 2.04 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 98 V 8.21 3.80 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 0.88 0.00 0.00 0.57 0.00 0.00 99 R 7.90 4.38 0.00 1.84 1.94 0.00 3.40 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 100 G 7.98 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.54 4.88 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 102 R 8.40 4.41 0.00 1.92 1.93 0.00 2.97 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 103 T 8.40 4.58 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 0.00 104 R 8.06 4.40 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 105 T 7.45 4.30 4.24 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 1.21 0.00 0.00 106 N 7.83 3.96 0.00 2.76 2.81 0.00 0.00 6.47 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 0.00 107 A 8.21 4.56 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 0.00 108 R 8.23 3.92 0.00 1.84 1.97 0.00 3.33 0.00 0.00 3.26 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 109 T 7.59 3.78 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 0.00 110 R 7.54 4.27 0.00 1.75 1.91 0.00 3.33 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 111 K 8.40 4.13 0.00 1.91 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 112 G 7.98 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.46 0.00 2.05 1.98 0.00 3.68 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 2.02 2.09 0.00 114 R 8.36 3.99 0.00 1.80 1.89 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 115 K 8.44 4.35 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.54 7.81 116 T 7.27 3.70 4.24 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 1.21 0.00 0.00 117 V 8.05 4.36 2.08 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 0.81 0.00 0.00 0.99 0.00 0.00 118 A 8.33 4.25 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 0.00 119 G 8.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.45 4.37 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 121 K 7.68 4.27 0.00 1.87 1.63 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.45 7.81 122 K 7.78 3.78 0.00 1.68 1.75 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.54 7.81 123 A 8.45 3.63 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 0.00 124 P 0.00 3.97 0.00 2.24 2.20 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 125 R 7.97 3.67 0.00 1.89 2.10 0.00 3.11 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 126 K 7.37 4.19 0.00 1.71 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.44 7.81