NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8662 8.3393 109.7307 46.0001 0.0000 174.4083 -1 S 4.1559 8.2996 118.2802 58.4666 63.3804 174.6989 0 H 4.4019 8.5347 116.2684 57.0746 28.6922 177.2822 0 F 4.2919 8.4147 118.3684 59.7746 39.2921 178.9822 3 N 4.4366 8.2390 115.2185 53.9107 37.9065 176.7618 *5 L 4.1978 8.0224 120.6984 54.8397 43.8956 178.8565 6 E 3.8847 8.1216 118.2641 59.4150 29.5107 178.6637 7 Q 4.0416 8.1432 118.0029 59.0457 28.5089 178.8325 8 Q 3.9987 7.9374 117.5415 59.1002 29.1312 178.7197 9 I 3.9188 7.7306 120.5367 64.4766 36.9778 178.3145 10 I 3.7201 7.8727 119.7318 64.2654 37.0953 177.4454 11 H 5.0216 8.0909 115.6206 55.5885 29.4229 177.1564 12 S 4.3999 8.1095 118.2518 60.7929 62.9973 175.4960 13 Q 4.0754 8.2242 118.4082 58.1974 28.6541 176.1357 14 D 4.6213 8.2363 120.0439 52.4147 40.1050 176.0807 *16 A 4.0170 8.1036 125.9473 51.7784 20.5218 177.5289 17 H 4.6366 7.8717 111.0631 56.5093 29.4687 175.8332 18 F 5.0816 7.1962 113.5603 56.3269 38.6199 177.0425 19 R 2.5480 7.8014 123.2245 59.2375 29.9010 179.0286 20 S 4.3170 7.9884 111.3218 60.8413 63.0359 174.7491 21 E 4.4359 8.1883 118.8869 56.8481 29.6581 176.7398 22 F 4.7176 7.9310 118.1625 56.8806 39.5102 174.8208 23 F 4.3197 8.9331 125.7578 58.5901 39.6170 174.3656 24 Y 4.5738 7.2648 123.9277 55.9514 41.6525 176.0271 25 V 3.6207 8.5466 115.7451 64.1101 32.0381 176.0782 26 N 4.4309 7.3901 115.7221 51.4870 40.4443 174.5795 27 H 4.0637 8.3879 118.9267 59.2885 29.7317 176.7506 28 E 4.0746 8.0754 121.4755 58.9073 29.3284 178.5024 29 H 4.2987 8.7420 120.0054 58.6121 29.9296 177.2562 30 R 2.8142 7.2631 120.6273 59.0547 29.2991 178.3482 31 E 3.7959 8.0158 117.7565 59.3152 29.4577 178.7644 32 N 3.7755 8.0357 117.6128 55.9276 38.4319 176.6758 33 Y 4.2912 7.8966 120.7808 60.8968 38.4290 177.9130 34 E 3.6402 8.1139 119.2207 59.3118 29.5383 179.3106 35 A 4.0286 7.8874 120.7244 55.1731 18.4659 179.7367 36 L 4.2200 8.1412 117.6464 57.9513 41.3763 179.6615 37 L 4.1878 8.1272 119.1124 57.7226 41.4517 179.7795 38 I 3.7528 7.4879 118.7828 64.4681 36.9533 177.5535 39 Y 4.0629 8.1113 120.3552 60.5834 38.5295 177.2694 40 Y 4.5630 8.4284 116.9661 57.7497 39.2626 178.0808 41 K 4.1980 7.8538 122.3051 59.5525 32.7647 178.2481 42 N 4.5612 8.1058 114.5701 54.4830 38.6906 175.1362 43 S 4.6950 8.2810 111.5916 57.3448 64.3892 175.5216 44 I 3.9748 7.4355 114.1462 62.7628 37.3357 176.5297 45 D 4.4130 8.0234 119.8733 54.5202 39.8148 175.3116 46 N 4.7138 8.1082 120.7584 51.7666 39.3759 173.5195 47 P 4.3115 0.0000 0.0000 65.8829 31.3454 178.6287 48 I 3.7359 7.9955 118.6580 64.2762 36.9817 178.6320 49 V 3.5572 7.8132 119.0505 65.7121 31.4353 177.5292 50 D 4.5591 8.1968 117.5220 57.5164 41.3225 178.2382 51 G 3.7706 8.4648 106.2061 47.9018 0.0000 175.3128 52 A 3.9797 8.2830 123.0745 55.1316 18.2125 179.3811 53 C 4.1879 8.2769 115.2020 63.2768 28.0148 175.7481 54 Y 3.8295 8.0046 119.8461 60.6664 38.6229 178.1042 55 I 3.8881 8.0204 120.2403 64.4268 37.1494 178.1078 56 L 4.2562 8.3592 119.9699 58.2772 42.2343 178.6342 57 A 4.1020 8.5751 120.7167 53.3138 18.3356 177.4062 58 L 3.5952 7.3604 118.5350 54.6808 42.3620 176.3326 59 P 4.3379 0.0000 0.0000 65.9708 31.0108 178.3115 60 E 3.9862 8.0934 116.5173 58.8729 29.7650 178.5845 61 I 3.8325 7.6199 119.5636 64.0252 37.4559 177.3727 62 F 4.0049 8.4702 121.8813 61.5058 38.9632 176.4744 63 N 4.5176 7.9763 111.8117 54.1119 38.5381 175.7128 64 S 4.4219 7.8502 114.0889 58.1652 64.3081 174.1751 65 V 3.7106 6.6830 120.5532 60.8670 32.4839 175.4613 66 D 4.3274 8.0581 126.7604 52.6964 40.0784 176.4544 67 V 3.5601 7.4877 126.2164 65.4360 31.8091 178.1797 68 F 4.8039 7.5097 116.2319 59.1778 38.8707 175.5093 69 E 4.5269 8.0854 118.5738 55.8192 29.5730 175.6244 70 S 4.7316 7.8471 114.7611 56.2618 62.9023 173.2467 71 E 4.1959 9.1946 128.9873 58.8600 29.6352 176.7880 72 L 4.8653 8.1023 117.2930 51.7793 44.5549 175.7025 73 P 4.0313 0.0000 0.0000 65.0847 31.3574 177.6676 74 F 4.8914 7.7710 114.5348 57.1787 39.4634 177.2418 75 S 3.9909 8.1404 120.0522 61.3124 62.6228 176.0472 76 W 4.3731 7.6762 115.2778 58.5641 28.3006 177.6630 77 V 3.2212 7.0273 120.2818 65.2573 31.0054 175.0547 78 Y 5.3449 6.8840 114.4852 55.6234 41.2793 173.6062 79 D 4.6337 8.8261 118.9534 52.3013 41.7364 175.5211 80 E 4.0575 9.0042 115.3148 59.6723 29.5132 177.1656 81 N 4.6367 8.3677 115.1745 52.9825 39.3479 175.2025 82 G 3.8917 8.0207 105.8583 43.7990 0.0000 173.0894 83 I 4.2530 8.0794 112.6636 61.1484 38.1173 175.8553 84 T 4.4220 8.3954 113.8761 60.4162 70.3548 174.5135 85 E 4.0965 8.8431 122.2367 59.9014 28.7915 179.3893 86 T 3.7061 7.5152 110.2942 64.6537 68.1438 175.8671 *88 K 4.5960 8.0181 123.1161 56.4711 33.8920 177.4593 89 S 4.3057 8.0503 112.2628 60.2128 63.3315 174.7932 90 L 4.3987 7.1491 121.7343 53.8229 42.2752 177.4316 91 S 4.2050 8.8279 116.9305 58.9388 64.6108 175.8642 92 I 3.3778 8.1491 124.4260 64.2480 37.0355 177.0846 93 P 4.2713 0.0000 0.0000 65.3335 31.1384 178.7096 94 L 4.1469 7.6387 116.8253 57.7290 41.4573 179.2608 95 Q 4.1766 8.1523 118.1319 59.3093 28.6555 178.5488 96 Y 4.6497 8.1032 117.6997 61.2523 37.9413 178.7494 97 L 4.2764 8.2750 119.4438 57.9173 41.7583 179.7088 98 V 3.3175 8.0845 117.9423 65.8257 31.3452 177.9108 99 A 3.6882 8.3050 120.4194 55.0276 17.9974 179.3423 100 A 4.2781 8.4893 118.3423 55.4411 18.7487 179.4135 101 A 4.4918 8.0057 120.4776 54.9259 18.4703 179.8929 102 L 4.0404 7.9647 117.4964 57.9596 41.6239 179.6119 103 E 4.1416 8.4601 118.7080 59.1483 29.0798 179.4454 104 V 3.6508 7.5810 118.2354 65.6216 31.7196 176.5260 105 T 4.3801 7.8536 107.3505 60.7484 68.8088 173.6222 106 D 4.2781 7.8927 119.4835 55.7153 40.0080 173.4561 107 V 4.0481 7.6935 117.3993 60.8013 32.3130 174.7106 108 N 4.7469 8.4756 125.6160 51.6278 39.0833 174.0005 109 I 3.9375 7.8396 116.8094 60.8801 38.9375 176.0563 110 F 5.3380 7.6532 118.9769 55.5668 41.9294 174.2861 111 K 4.4945 8.4142 121.3539 54.0324 35.0633 174.9728 112 P 4.3876 0.0000 0.0000 62.0865 31.8928 176.3701 113 S 4.6037 7.7821 114.1010 57.5278 63.6572 174.5898 114 G 3.9735 9.3738 111.5635 48.9861 0.0000 174.9616 115 F 4.1812 8.6412 121.3254 61.4113 39.3371 177.1339 116 T 3.4396 7.6052 111.6731 64.7452 67.7431 174.7634 *118 G 2.0000 7.9135 109.4806 44.5488 0.0000 174.5243 *120 N 4.5414 8.2103 115.1426 52.3598 40.3141 174.8418 121 N 4.8948 7.3450 112.0821 53.4267 42.9436 175.2622 122 W 4.6936 8.0596 118.3361 56.8281 29.5537 175.9593 123 N 4.8293 9.0328 120.4274 51.7074 38.9452 175.0111 124 I 3.7311 8.4575 117.8583 64.8066 37.5296 177.4675 125 A 4.2220 8.2489 122.6195 55.6074 18.3181 180.6128 126 Q 4.0962 8.5100 114.0919 56.2144 28.1135 178.8259 *128 R 4.1999 8.1469 118.9260 56.3671 32.2317 178.1476 129 I 4.1021 7.8451 118.5134 64.4475 37.0014 178.0352 130 F 4.1456 8.0015 121.4897 61.2277 39.2402 177.1962 131 W 4.2438 7.8813 117.8290 59.8965 28.9298 178.1514 132 Q 3.7523 8.5190 119.8229 59.0376 28.3117 177.3733 133 Y 3.8836 8.3320 121.2790 61.1063 38.8502 178.5215 134 T 3.5075 7.9611 110.2573 64.6120 68.4025 176.1664 135 A 3.8758 7.3823 122.4467 54.6593 18.7116 179.4741 136 I 3.6518 7.1133 118.0468 64.6089 36.9804 178.5703 137 I 3.5851 7.0539 119.1101 63.6945 37.0718 177.7797 138 R 4.5640 7.6451 117.9606 55.6672 30.9877 178.6730 139 K 3.9200 7.7193 120.8346 59.6893 32.5537 177.3930 140 E 4.2393 8.0168 116.3823 56.3454 29.8871 176.4523 141 A 4.1524 7.7831 122.8365 52.1218 19.0733 177.7710 142 L 4.3383 8.2474 119.5098 54.9187 42.3411 176.7164 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 G 8.34 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 -1 S 8.30 4.16 0.00 4.05 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 H 8.53 4.40 0.00 3.07 3.34 0.00 5.93 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 F 8.41 4.29 0.00 2.92 3.22 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 3 N 8.24 4.44 0.00 2.72 2.81 0.00 0.00 6.93 7.15 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 *5 L 8.02 4.20 0.00 1.71 1.68 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.12 3.88 0.00 1.99 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 2.35 2.37 0.00 7 Q 8.14 4.04 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 8 Q 7.94 4.00 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.06 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 9 I 7.73 3.92 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 1.02 0.00 0.00 10 I 7.87 3.72 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.55 0.69 0.00 0.00 11 H 8.09 5.02 0.00 3.42 3.51 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.11 4.40 0.00 4.06 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 0.00 13 Q 8.22 4.08 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.16 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 14 D 8.24 4.62 0.00 3.12 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 *16 A 8.10 4.02 1.07 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 17 H 7.87 4.64 0.00 3.30 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.20 5.08 0.00 3.17 3.24 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 19 R 7.80 2.55 0.00 1.64 1.75 0.00 2.85 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.28 0.00 20 S 7.99 4.32 0.00 4.03 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 21 E 8.19 4.44 0.00 2.35 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 2.47 2.50 0.00 22 F 7.93 4.72 0.00 2.55 2.42 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 23 F 8.93 4.32 0.00 3.01 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 Y 7.26 4.57 0.00 2.82 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 25 V 8.55 3.62 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 0.81 0.00 0.00 0.86 0.00 0.00 26 N 7.39 4.43 0.00 2.92 2.89 0.00 0.00 5.93 7.90 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 27 H 8.39 4.06 0.00 3.22 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.08 4.07 0.00 2.22 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 2.38 2.43 0.00 29 H 8.74 4.30 0.00 3.17 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.26 2.81 0.00 0.67 1.54 0.00 2.98 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.00 31 E 8.02 3.80 0.00 2.05 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 2.33 2.15 0.00 32 N 8.04 3.78 0.00 2.55 1.76 0.00 0.00 6.62 8.17 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 33 Y 7.90 4.29 0.00 3.12 3.20 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 34 E 8.11 3.64 0.00 2.06 1.86 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 2.16 2.30 0.00 35 A 7.89 4.03 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 L 8.14 4.22 0.00 2.06 2.10 1.23 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.13 4.19 0.00 1.69 1.61 0.21 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.49 3.75 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.92 0.00 0.00 39 Y 8.11 4.06 0.00 3.02 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 40 Y 8.43 4.56 0.00 3.21 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 41 K 7.85 4.20 0.00 1.95 2.27 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.35 7.81 42 N 8.11 4.56 0.00 2.73 2.90 0.00 0.00 6.66 7.57 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 43 S 8.28 4.70 0.00 3.99 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 44 I 7.44 3.97 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.60 1.02 0.00 0.00 45 D 8.02 4.41 0.00 2.81 2.83 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 0.00 0.00 0.00 46 N 8.11 4.71 0.00 2.77 2.90 0.00 0.00 7.10 7.84 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 47 P 0.00 4.31 0.00 2.23 2.22 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 48 I 8.00 3.74 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 1.02 0.00 0.00 49 V 7.81 3.56 2.35 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 0.93 0.00 0.00 0.92 0.00 0.00 50 D 8.20 4.56 0.00 2.83 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 51 G 8.46 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 0.00 0.00 0.00 52 A 8.28 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.28 4.19 0.00 3.56 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 54 Y 8.00 3.83 0.00 2.70 3.33 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 55 I 8.02 3.89 2.38 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.59 1.17 0.00 0.00 56 L 8.36 4.26 0.00 1.89 2.11 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.58 4.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.36 3.60 0.00 1.77 1.55 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.34 0.00 2.14 2.12 0.00 3.51 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 2.22 2.10 0.00 60 E 8.09 3.99 0.00 1.95 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 2.28 2.39 0.00 61 I 7.62 3.83 2.03 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 1.60 0.61 0.91 0.00 0.00 62 F 8.47 4.00 0.00 3.24 3.05 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 0.00 0.00 0.00 63 N 7.98 4.52 0.00 2.89 2.79 0.00 0.00 7.01 7.73 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 64 S 7.85 4.42 0.00 3.72 3.74 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 65 V 6.68 3.71 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 0.22 0.00 0.00 -0.53 0.00 0.00 66 D 8.06 4.33 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.49 3.56 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 0.56 0.00 0.00 0.47 0.00 0.00 68 F 7.51 4.80 0.00 3.05 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 69 E 8.09 4.53 0.00 2.03 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 2.48 2.41 0.00 70 S 7.85 4.73 0.00 4.08 4.08 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 71 E 9.19 4.20 0.00 2.03 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 2.35 2.49 0.00 72 L 8.10 4.87 0.00 1.69 1.46 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.03 0.00 1.42 1.70 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.00 74 F 7.77 4.89 0.00 2.97 2.61 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 75 S 8.14 3.99 0.00 3.99 3.94 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 76 W 7.68 4.37 0.00 3.61 3.28 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 77 V 7.03 3.22 1.77 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 0.76 0.00 0.00 -0.73 0.00 0.00 78 Y 6.88 5.34 0.00 3.11 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 79 D 8.83 4.63 0.00 2.87 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 80 E 9.00 4.06 0.00 2.13 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 2.31 2.31 0.00 81 N 8.37 4.64 0.00 2.95 2.92 0.00 0.00 7.28 7.01 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 82 G 8.02 3.89 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 0.00 0.00 0.00 83 I 8.08 4.25 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.89 0.00 0.00 84 T 8.40 4.42 4.35 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 1.35 0.00 0.00 85 E 8.84 4.10 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 2.40 2.44 0.00 86 T 7.52 3.71 4.51 0.00 0.00 0.00 0.00 0.00 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 *88 K 8.02 4.60 0.00 1.98 1.96 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.53 7.81 89 S 8.05 4.31 0.00 4.01 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 0.00 90 L 7.15 4.40 0.00 1.93 1.69 1.19 0.83 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 91 S 8.83 4.21 0.00 4.02 4.01 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 92 I 8.15 3.38 1.65 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 1.44 0.57 0.25 0.00 0.00 93 P 0.00 4.27 0.00 2.27 2.48 0.00 3.48 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 2.14 2.19 0.00 94 L 7.64 4.15 0.00 1.95 1.79 1.03 0.91 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 95 Q 8.15 4.18 0.00 2.24 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 96 Y 8.10 4.65 0.00 3.50 3.02 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 97 L 8.28 4.28 0.00 1.98 1.71 0.76 -0.02 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 98 V 8.08 3.32 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 0.29 0.00 0.00 1.14 0.00 0.00 99 A 8.30 3.69 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 0.00 100 A 8.49 4.28 1.74 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 0.00 0.00 101 A 8.01 4.49 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 0.00 102 L 7.96 4.04 0.00 1.66 1.72 0.62 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.46 4.14 0.00 2.26 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 2.57 2.49 0.00 104 V 7.58 3.65 2.45 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 0.84 0.00 0.00 1.21 0.00 0.00 105 T 7.85 4.38 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 1.30 0.00 0.00 106 D 7.89 4.28 0.00 2.81 2.77 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 0.00 107 V 7.69 4.05 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 0.51 0.00 0.00 0.96 0.00 0.00 108 N 8.48 4.75 0.00 2.65 2.70 0.00 0.00 7.12 7.45 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 0.00 109 I 7.84 3.94 1.46 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.39 0.00 0.00 110 F 7.65 5.34 0.00 3.03 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 0.00 111 K 8.41 4.49 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.46 7.81 112 P 0.00 4.39 0.00 1.87 1.89 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 113 S 7.78 4.60 0.00 4.39 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 0.00 114 G 9.37 3.97 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 0.00 0.00 0.00 115 F 8.64 4.18 0.00 3.01 3.11 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 0.00 116 T 7.61 3.44 4.20 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 1.02 0.00 0.00 *118 G 7.91 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 0.00 0.00 0.00 0.00 0.00 0.00 *120 N 8.21 4.54 0.00 2.46 2.74 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.35 4.89 0.00 2.47 2.79 0.00 0.00 7.03 7.68 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 0.00 122 W 8.06 4.69 0.00 3.33 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 0.00 123 N 9.03 4.83 0.00 2.83 2.91 0.00 0.00 6.98 8.67 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 0.00 124 I 8.46 3.73 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.93 0.00 0.00 125 A 8.25 4.22 1.43 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 0.00 0.00 0.00 0.00 0.00 126 Q 8.51 4.10 0.00 2.35 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.33 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 *128 R 8.15 4.20 0.00 1.27 0.66 0.00 2.94 0.00 0.00 2.72 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 129 I 7.85 4.10 1.95 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 1.63 1.12 0.99 0.00 0.00 130 F 8.00 4.15 0.00 2.29 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 0.00 131 W 7.88 4.24 0.00 3.55 3.11 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 0.00 132 Q 8.52 3.75 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.04 1.29 0.00 133 Y 8.33 3.88 0.00 3.31 3.24 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 0.00 134 T 7.96 3.51 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 0.67 0.00 0.00 135 A 7.38 3.88 1.16 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 0.00 0.00 136 I 7.11 3.65 1.72 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.99 0.00 0.00 137 I 7.05 3.59 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.23 0.80 0.00 0.00 138 R 7.65 4.56 0.00 1.83 1.83 0.00 3.24 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 139 K 7.72 3.92 0.00 1.92 2.05 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.42 7.81 140 E 8.02 4.24 0.00 1.96 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 2.28 2.24 0.00 141 A 7.78 4.15 1.27 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 0.00 142 L 8.25 4.34 0.00 1.58 1.51 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.