NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1737 8.2644 123.5809 51.3994 18.8502 173.4760 3 R 4.4697 7.4961 117.9229 56.2385 31.4940 173.3939 4 I 3.9951 9.0803 128.9262 61.0364 37.9243 177.9469 5 A 4.0718 9.3782 129.2052 52.6029 19.3510 178.4438 6 G 3.9782 8.5944 108.2053 47.5168 0.0000 174.3988 7 V 3.4413 8.5907 122.8921 62.9760 31.0957 170.9526 8 E 4.5055 8.8165 120.7950 56.4016 30.2639 175.9222 9 I 4.7463 7.9467 124.3163 58.3610 37.7725 171.9988 10 P 4.1405 0.0000 0.0000 62.4434 32.0330 176.9691 11 R 4.3976 7.7378 122.0286 54.6715 32.4167 175.9145 12 N 3.9985 7.3085 119.3184 53.6659 35.9893 172.4358 13 K 4.5464 6.8234 124.5428 54.3209 40.3500 174.9977 14 R 4.4864 7.3374 113.0817 54.5778 33.0966 174.7884 15 V 3.7396 7.8776 126.1903 66.2760 31.2457 177.4559 16 D 4.5926 7.4822 117.3983 56.8410 39.4727 178.5030 17 V 3.7903 7.8921 119.4778 65.4077 31.5392 177.6012 18 A 3.7493 8.7072 121.0699 55.2156 18.1272 179.5980 19 L 4.0916 8.8677 118.2388 58.1300 41.5654 179.6602 20 T 3.9156 7.9124 115.5216 66.9263 68.1813 175.4594 21 Y 4.1628 8.2565 116.5765 58.8385 38.4684 176.5864 22 I 5.1175 7.5301 121.7400 60.1677 38.1265 176.4689 23 Y 4.3064 8.7927 124.7687 59.9818 38.6800 177.2248 24 G 3.6867 7.9538 105.1422 44.9620 0.0000 172.7484 25 I 3.9449 7.5334 119.4763 58.5681 39.1921 174.9578 26 G 4.5419 9.0259 118.2041 46.9521 0.0000 175.8244 27 K 3.4487 7.7372 120.3844 57.1964 33.5933 176.6887 28 A 3.9255 7.7827 120.2472 55.4136 18.4100 179.2780 29 R 3.8461 8.1327 116.2387 59.2998 30.6046 177.5228 30 A 4.1707 8.1756 120.3005 54.0522 18.0207 178.6591 31 K 4.0231 8.1904 121.3395 59.4661 32.8334 178.3667 32 E 4.1571 8.2891 119.4567 58.6454 29.5581 178.0635 33 A 4.3663 9.0221 120.4303 55.6662 18.5268 179.6671 34 L 4.0299 8.5982 116.0559 57.0345 41.7887 178.9198 35 E 4.2076 8.5669 119.9165 58.6062 29.7393 178.2682 36 K 3.7594 7.8514 116.4058 59.7564 32.0589 178.1425 37 T 3.8987 8.2760 114.0863 63.5929 68.5522 176.1732 38 G 4.0170 8.0740 109.4286 45.7181 0.0000 174.1852 39 I 3.9025 7.1214 119.4380 60.4831 37.6410 175.5193 40 N 4.4541 8.6229 123.2473 52.9465 39.5396 173.9881 41 P 4.2362 0.0000 0.0000 65.6216 31.6498 178.2326 42 A 4.0690 7.9022 119.2835 53.9625 18.9461 177.7378 43 T 4.0080 7.5067 107.5021 61.3090 69.4932 174.1978 44 R 4.2789 8.4277 123.9282 55.8787 31.0288 177.6694 45 V 3.4600 8.6473 122.5789 65.9207 31.5176 177.8171 46 K 4.1136 8.0664 116.8164 58.7503 32.2941 176.6508 47 D 4.7941 8.3664 118.2671 53.5639 42.1229 175.8757 48 L 3.9860 8.0690 123.0397 55.0425 42.4387 177.3750 49 T 3.9639 9.1801 123.8577 63.7833 70.0509 174.9633 50 E 3.9185 8.8641 124.5605 59.1032 29.8138 179.0228 51 A 4.1090 7.8765 120.6170 55.2197 18.7584 178.9828 52 E 3.9188 8.1844 116.2491 59.7509 29.6538 179.7760 53 V 3.9107 8.0672 117.9291 66.0862 31.4329 177.4137 54 V 3.7756 8.2116 119.2440 64.7678 31.4102 177.4346 55 R 3.9407 7.9523 117.6402 59.7263 30.0560 178.4366 56 L 4.0047 8.5582 120.1022 58.1789 42.2099 178.8083 57 R 3.9569 7.7900 118.1722 59.3958 29.7804 178.4412 58 E 3.9215 8.7729 118.8441 59.5925 29.3666 178.6511 59 Y 4.0625 7.8608 117.8452 59.6030 39.1268 177.3602 60 V 3.3620 7.3881 118.5633 65.1644 32.0123 177.5860 61 E 4.1602 7.8679 116.7198 57.5023 29.3533 176.9790 62 N 4.7553 8.3199 116.3584 52.0528 40.0265 172.8994 63 T 3.2534 7.6966 124.4025 62.9263 65.5917 172.3220 64 W 5.3127 7.0022 118.8035 54.5397 33.1208 174.3494 65 K 4.3382 8.7101 121.8860 55.6610 32.2261 175.8517 66 L 4.8486 8.1984 124.8418 53.9235 46.8561 178.3831 67 E 3.9464 9.1859 115.8295 57.8676 30.5461 178.6369 68 G 3.2884 7.5032 111.7388 47.0727 0.0000 174.6848 69 E 3.8816 8.7075 122.2159 58.8581 30.3428 178.0512 70 L 4.1385 7.9686 119.9588 58.5770 42.0954 179.0637 71 R 3.9817 8.2109 116.8539 59.5006 29.8948 178.4574 72 A 3.9429 7.7351 120.0532 55.3357 18.1434 179.3885 73 E 3.8457 8.3515 117.6467 59.3714 29.8851 178.7412 74 V 3.5875 7.8976 117.4794 66.3724 31.4292 177.5556 75 A 3.9960 8.7495 120.2208 55.2202 18.1158 179.4116 76 A 3.8773 7.7284 119.2797 55.2912 18.6657 179.0659 77 N 4.1356 8.8059 114.8671 56.8670 38.5281 177.2683 78 I 3.5753 7.5057 119.6085 64.4723 37.5548 177.8356 79 K 3.9400 7.7443 119.7769 59.6848 32.0232 178.2599 80 R 4.0971 7.6843 119.8969 59.0280 30.0215 177.8918 81 L 3.9854 7.7665 117.9570 58.5221 41.4211 179.5315 82 M 4.1738 8.3973 117.3917 58.0448 32.1756 178.2377 83 D 4.4917 8.0655 118.9347 55.2768 41.0718 176.0230 84 I 4.4172 6.9122 111.8190 58.7692 39.1288 175.3750 85 G 3.3443 8.1548 105.9016 45.9640 0.0000 173.6972 86 C 3.9656 8.1774 112.1192 59.2672 30.8822 173.5076 87 Y 4.1212 8.7257 128.5735 60.9644 38.3836 177.5565 88 R 3.9175 8.4129 119.2592 59.7675 29.9993 178.4215 89 G 3.9865 7.7601 106.4975 47.0483 0.0000 175.5087 90 L 3.9131 7.8364 122.6307 58.0505 42.1075 179.1855 91 R 3.7449 7.5561 117.4833 59.6467 29.7498 178.6047 92 H 4.1365 7.6591 115.0256 58.7257 28.6975 177.7380 93 R 4.0835 7.4686 118.7966 60.0357 30.0157 178.3700 94 R 4.1512 8.0520 117.6173 54.6247 29.9259 176.0667 95 G 3.8535 7.1100 119.6505 45.7468 0.0000 172.8280 96 L 4.3236 7.2380 121.0780 52.6165 42.6946 174.7299 97 P 4.2162 0.0000 0.0000 63.5708 31.6407 175.9458 98 V 3.9455 8.2005 119.0191 65.0987 32.6699 178.4803 99 R 4.1508 7.9203 118.2153 58.0225 28.5140 178.8080 100 G 3.9274 8.0037 99.8337 46.8930 0.0000 172.0981 101 Q 4.6083 7.8381 122.8480 53.3639 33.2355 175.2924 102 R 4.0562 8.5727 116.7495 56.8734 29.6751 176.8371 103 T 4.5655 8.4511 113.3081 61.4205 69.2656 174.9863 104 R 4.5077 8.0409 123.2853 57.8945 32.0605 176.0443 105 T 4.3510 7.3383 110.6572 61.6735 69.1042 175.5098 106 N 4.0513 8.1936 118.0023 53.2693 36.5804 174.0934 107 A 4.6304 8.1497 124.6160 52.5454 20.6629 178.6323 108 R 3.9047 8.3772 120.2287 61.2212 30.3457 179.1608 109 T 3.6214 8.0343 112.6809 66.4738 68.5357 174.9631 110 R 4.2386 7.8569 119.2657 57.6952 30.7572 177.1326 111 K 4.1603 8.2410 116.8018 56.7237 33.2711 177.9224 112 G 3.9462 8.7964 106.1225 43.8854 0.0000 171.4537 113 P 4.4164 0.0000 0.0000 62.1410 32.1108 176.2101 114 R 4.0557 8.3670 120.7846 56.3521 30.9700 178.1677 115 K 4.3639 8.3458 126.1735 54.8838 31.2093 176.9532 116 T 3.8448 7.4656 114.6247 64.2915 69.4812 174.0183 117 V 4.3983 7.9235 122.3945 61.3839 34.9612 173.4903 118 A 4.6098 8.4844 122.7019 50.7016 20.0519 176.5929 119 G 4.1779 8.1562 110.2000 44.0266 0.0000 171.0487 120 K 4.2869 7.6944 118.3787 54.2909 33.4729 175.5737 121 K 4.3660 8.4481 126.4882 56.2068 33.2069 175.2977 122 K 5.1559 7.9802 135.0000 57.2900 32.5333 173.9960 123 A 4.6697 7.4665 119.1552 49.4005 22.1422 173.5759 124 P 4.2529 0.0000 0.0000 63.4480 31.4506 177.0396 125 R 4.6167 8.5209 121.0227 55.6974 30.1612 176.2902 126 K 4.1588 8.0400 123.3255 57.9829 32.8907 175.8968 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 4.17 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 7.50 4.47 0.00 1.88 1.90 0.00 3.04 0.00 0.00 3.90 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 4 I 9.08 4.00 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 1.38 1.09 0.97 0.00 0.00 5 A 9.38 4.07 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 8.59 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 7 V 8.59 3.44 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 0.80 0.00 0.00 0.94 0.00 0.00 8 E 8.82 4.51 0.00 2.19 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 2.53 2.50 0.00 9 I 7.95 4.75 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 0.56 0.91 0.00 0.00 10 P 0.00 4.14 0.00 2.08 2.21 0.00 3.74 0.00 0.00 3.61 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 11 R 7.74 4.40 0.00 1.69 1.77 0.00 3.28 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 12 N 7.31 4.00 0.00 2.71 2.69 0.00 0.00 6.71 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 6.82 4.55 0.00 1.78 1.52 0.00 1.76 0.00 0.00 1.46 0.00 0.00 3.12 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.38 7.81 14 R 7.34 4.49 0.00 1.84 1.73 0.00 3.26 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 15 V 7.88 3.74 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 1.03 0.00 0.00 0.98 0.00 0.00 16 D 7.48 4.59 0.00 3.03 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 17 V 7.89 3.79 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 1.18 0.00 0.00 0.97 0.00 0.00 18 A 8.71 3.75 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 19 L 8.87 4.09 0.00 1.90 1.83 1.03 -0.12 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 20 T 7.91 3.92 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 21 Y 8.26 4.16 0.00 3.07 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 22 I 7.53 5.12 2.06 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 1.52 1.03 0.00 0.00 23 Y 8.79 4.31 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.95 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 25 I 7.53 3.94 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.85 0.00 0.00 26 G 9.03 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.74 3.45 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.33 7.81 28 A 7.78 3.93 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 29 R 8.13 3.85 0.00 1.32 0.82 0.00 2.51 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 0.71 1.20 0.00 30 A 8.18 4.17 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 31 K 8.19 4.02 0.00 1.83 1.93 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 32 E 8.29 4.16 0.00 2.38 2.39 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 2.52 2.48 0.00 33 A 9.02 4.37 1.85 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 34 L 8.60 4.03 0.00 1.80 1.80 0.98 0.92 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 35 E 8.57 4.21 0.00 2.22 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 2.27 2.37 0.00 36 K 7.85 3.76 0.00 1.17 1.27 0.00 1.46 0.00 0.00 1.29 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.36 7.81 37 T 8.28 3.90 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 1.21 0.00 0.00 38 G 8.07 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 39 I 7.12 3.90 1.89 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 1.19 0.73 0.92 0.00 0.00 40 N 8.62 4.45 0.00 2.76 2.70 0.00 0.00 7.19 7.71 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 41 P 0.00 4.24 0.00 2.23 2.11 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 42 A 7.90 4.07 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 43 T 7.51 4.01 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 44 R 8.43 4.28 0.00 2.05 1.91 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 45 V 8.65 3.46 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 1.08 0.00 0.00 0.90 0.00 0.00 46 K 8.07 4.11 0.00 1.89 1.92 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 47 D 8.37 4.79 0.00 2.72 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 48 L 8.07 3.99 0.00 1.66 1.60 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.18 3.96 4.55 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 1.27 0.00 0.00 50 E 8.86 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 7.88 4.11 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 8.18 3.92 0.00 2.03 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 2.41 2.38 0.00 53 V 8.07 3.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.01 0.00 0.00 54 V 8.21 3.78 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 0.87 0.00 0.00 0.99 0.00 0.00 55 R 7.95 3.94 0.00 1.91 1.96 0.00 3.32 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 56 L 8.56 4.00 0.00 1.95 1.68 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.79 3.96 0.00 2.16 2.08 0.00 3.15 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 1.71 1.70 0.00 58 E 8.77 3.92 0.00 2.11 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 2.61 2.46 0.00 59 Y 7.86 4.06 0.00 2.87 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 60 V 7.39 3.36 2.19 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 1.24 0.00 0.00 1.09 0.00 0.00 61 E 7.87 4.16 0.00 2.05 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 2.38 2.55 0.00 62 N 8.32 4.76 0.00 2.80 2.64 0.00 0.00 7.14 7.99 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 63 T 7.70 3.25 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 -0.44 0.00 0.00 64 W 7.00 5.31 0.00 3.48 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.34 0.00 1.75 1.76 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.58 7.81 66 L 8.20 4.85 0.00 1.71 1.64 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.19 3.95 0.00 2.16 1.88 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 2.54 2.37 0.00 68 G 7.50 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 0.00 0.00 0.00 69 E 8.71 3.88 0.00 1.99 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 2.33 2.42 0.00 70 L 7.97 4.14 0.00 2.07 2.09 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.21 3.98 0.00 1.89 1.89 0.00 2.94 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.23 0.00 72 A 7.74 3.94 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 73 E 8.35 3.85 0.00 2.07 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 0.00 2.32 2.32 0.00 74 V 7.90 3.59 2.25 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 1.01 0.00 0.00 0.99 0.00 0.00 75 A 8.75 4.00 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 76 A 7.73 3.88 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 77 N 8.81 4.14 0.00 2.83 2.91 0.00 0.00 7.12 7.82 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 78 I 7.51 3.58 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.64 0.00 0.00 79 K 7.74 3.94 0.00 1.85 1.96 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.83 1.45 7.81 80 R 7.68 4.10 0.00 1.94 2.12 0.00 3.22 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 81 L 7.77 3.99 0.00 1.99 1.75 0.92 0.79 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 82 M 8.40 4.17 0.00 1.93 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.82 0.00 83 D 8.07 4.49 0.00 2.81 2.71 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 0.00 0.00 0.00 0.00 84 I 6.91 4.42 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 1.47 0.64 0.92 0.00 0.00 85 G 8.15 3.34 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 86 C 8.18 3.97 0.00 3.07 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 87 Y 8.73 4.12 0.00 3.08 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 88 R 8.41 3.92 0.00 2.00 1.99 0.00 3.27 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 89 G 7.76 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 90 L 7.84 3.91 0.00 1.70 1.56 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.56 3.74 0.00 1.72 1.96 0.00 2.93 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.24 0.00 92 H 7.66 4.14 0.00 3.22 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.47 4.08 0.00 1.93 1.97 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 94 R 8.05 4.15 0.00 1.85 1.78 0.00 3.35 0.00 0.00 3.20 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 95 G 7.11 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 96 L 7.24 4.32 0.00 1.59 1.58 0.89 1.03 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 97 P 0.00 4.22 0.00 2.45 2.08 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 2.00 1.99 0.00 98 V 8.20 3.95 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 0.81 0.00 0.00 0.64 0.00 0.00 99 R 7.92 4.15 0.00 1.85 1.93 0.00 3.40 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 100 G 8.00 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 0.00 101 Q 7.84 4.61 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 102 R 8.57 4.06 0.00 1.92 1.96 0.00 3.00 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 103 T 8.45 4.57 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 1.29 0.00 0.00 104 R 8.04 4.51 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 105 T 7.34 4.35 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 8.19 4.05 0.00 2.75 2.82 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 8.15 4.63 1.25 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 0.00 0.00 0.00 108 R 8.38 3.90 0.00 1.85 1.98 0.00 3.32 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 109 T 8.03 3.62 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 1.21 0.00 0.00 110 R 7.86 4.24 0.00 1.73 1.92 0.00 3.26 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 111 K 8.24 4.16 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.55 7.81 112 G 8.80 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.42 0.00 2.05 1.99 0.00 3.67 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 2.10 0.00 114 R 8.37 4.06 0.00 1.80 1.87 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 115 K 8.35 4.36 0.00 1.71 1.78 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.50 7.81 116 T 7.47 3.84 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 7.92 4.40 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 0.98 0.00 0.00 118 A 8.48 4.61 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 8.16 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 0.00 0.00 0.00 120 K 7.69 4.29 0.00 1.72 1.67 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.55 7.81 121 K 8.45 4.37 0.00 1.66 1.66 0.00 1.84 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.47 7.81 122 K 7.98 5.16 0.00 1.79 1.83 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.18 1.24 7.81 123 A 7.47 4.67 1.19 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 0.00 0.00 124 P 0.00 4.25 0.00 2.05 2.04 0.00 3.65 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 2.03 2.09 0.00 125 R 8.52 4.62 0.00 1.88 1.99 0.00 3.07 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 126 K 8.04 4.16 0.00 1.88 1.82 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.41 7.81