NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2381 8.3031 122.1234 54.3396 34.2196 176.2735 3 G 3.6565 7.3902 106.8627 43.6015 0.0000 172.0855 4 D 4.3783 8.6571 121.5480 53.8732 43.7048 175.8490 5 K 3.9582 8.6434 127.3174 59.6283 32.3696 179.1642 6 K 4.2123 8.0444 119.7286 58.4882 32.0264 179.0662 7 V 3.6413 8.2415 118.7955 66.3730 31.3928 178.1153 8 I 3.7216 7.7598 119.1072 64.5263 36.4211 178.4211 9 Q 3.9882 8.1451 118.7375 59.3515 28.4677 178.7104 10 H 4.1825 8.6655 117.5082 58.9092 28.7069 177.9093 11 L 4.0191 8.5655 121.1202 57.8888 41.3323 179.3670 12 N 4.3556 8.7149 116.9739 55.9004 38.4139 177.4947 13 K 3.9154 8.1654 121.2535 59.4970 32.2849 178.8649 14 I 3.6635 7.9410 120.2813 64.3428 36.9888 177.8297 15 L 4.0139 8.1285 121.2914 58.3895 41.9085 179.2476 16 G 3.6633 8.3649 105.6074 48.0770 0.0000 175.3937 17 N 4.4015 8.0944 118.8385 56.0213 38.4446 177.4529 18 E 3.9888 8.3888 120.2785 59.2651 29.3856 179.3549 19 L 3.9457 8.3043 119.5336 57.7236 41.5706 179.6029 20 I 3.6208 7.5923 119.0154 64.2940 36.9778 178.3444 21 A 3.2792 7.8879 121.4857 54.8305 18.1441 179.3122 22 I 3.6081 7.8110 118.6802 65.0212 37.2747 178.3431 23 N 4.3617 7.8113 116.8686 56.2443 38.3064 177.4072 24 Q 3.8597 8.1902 121.2543 59.5359 29.1232 178.0088 25 Y 4.7774 7.9942 119.3168 60.4908 37.8698 178.1886 26 F 3.9556 8.5037 121.9205 60.9848 39.4269 177.1082 27 L 3.9736 8.2050 120.0366 58.4567 41.8701 178.3856 28 H 3.7886 8.2497 116.3815 58.9041 28.5482 177.4766 29 S 4.3553 8.4374 115.0063 61.8365 62.1685 176.6312 30 R 3.8753 7.9564 120.3608 59.0678 29.6887 179.0744 31 M 3.4787 8.0214 119.1473 57.8263 31.8495 178.5309 32 W 4.5912 7.9668 119.4031 60.0993 29.2681 178.3037 33 N 4.3818 8.5739 116.6058 56.4367 37.7716 176.8664 34 D 4.3594 8.0750 118.5945 56.9901 41.3223 177.6803 35 W 4.8838 7.8691 116.9829 56.8659 29.4818 177.1963 36 G 3.9780 8.3268 107.9802 45.8963 0.0000 174.2337 37 L 4.8460 7.8743 121.8031 53.2900 40.2452 177.6458 38 K 4.0147 8.3798 121.1379 59.0459 32.3743 179.1277 39 R 3.8833 8.0323 119.4748 59.2223 30.0059 178.5432 40 L 3.8342 7.7351 118.5870 57.3909 41.5671 179.3617 41 G 3.7955 8.3585 105.7478 47.7761 0.0000 175.4082 42 A 3.9762 8.2312 123.7490 55.2468 18.4622 179.1462 43 H 3.9533 8.3686 116.7063 59.4458 29.3406 177.0700 44 E 4.0111 8.4478 121.1316 59.1200 29.4257 177.9042 45 Y 4.0319 8.1677 119.7487 61.2107 38.8424 178.0346 46 H 4.0182 8.1383 116.8584 58.8562 28.7330 177.6406 47 E 3.8750 8.0566 120.4530 59.3043 29.2135 179.3830 48 S 4.2647 8.1868 113.2157 61.4722 62.5385 176.1835 49 I 3.5941 7.7483 122.7771 64.5205 36.7908 178.1075 50 D 4.2785 8.1340 119.5971 57.4417 40.5959 178.7860 51 E 4.1592 8.2753 119.0951 59.5408 29.4064 179.1276 52 M 4.0387 8.1376 118.8269 58.5455 32.0328 179.0249 53 K 3.9979 8.0850 118.4185 59.6546 32.1628 179.2515 54 H 4.3006 8.1273 116.5078 58.5237 28.5227 177.4272 55 A 3.9772 8.4237 123.1712 55.3201 18.2175 178.8526 56 D 4.2985 8.1507 116.3359 57.7846 41.2181 178.8474 57 K 3.9861 8.0108 118.5752 59.5128 31.9637 179.4006 58 L 4.0301 8.0510 119.2229 57.7516 41.5683 179.4955 59 I 3.7207 8.0447 120.0419 64.5445 37.0349 178.3704 60 E 4.0203 8.3260 119.3417 59.3069 29.2102 179.4777 61 R 3.9875 8.0809 118.7986 59.4237 30.1792 178.3825 62 I 3.7170 8.1238 120.0687 64.6290 37.0716 178.4111 63 L 3.9969 8.0627 119.5253 57.6921 41.2254 179.2194 64 F 4.2483 8.2075 119.6273 61.3351 39.1298 176.5048 65 L 3.9371 8.1516 115.8373 54.4281 40.9838 177.3350 66 E 3.6360 7.9986 117.5487 57.2546 27.2876 174.8088 67 G 3.8758 7.9499 108.4325 44.4780 0.0000 173.7324 68 L 4.5562 8.0006 118.9325 52.0005 42.4778 175.2059 69 P 4.3420 0.0000 0.0000 62.3664 31.7963 175.9463 70 N 4.6310 9.3947 122.7882 52.5979 38.2538 174.2021 71 L 4.5456 8.2804 124.4165 54.5555 42.3444 177.4459 72 Q 4.1281 8.6332 121.7521 57.4998 29.4257 175.5252 73 D 4.7311 8.0848 117.5473 52.3458 42.0832 175.1817 74 L 4.5408 8.3119 125.9931 52.7559 43.7849 176.5347 75 G 3.7942 8.3799 115.9373 44.7529 0.0000 171.4937 76 K 4.0912 8.3461 120.9158 55.6962 32.3556 176.9341 77 L 4.1000 8.4083 127.0264 54.7383 42.1406 177.4014 78 L 4.4512 8.8173 124.7193 53.3473 40.6174 174.6962 79 I 4.2863 7.9392 123.1451 59.5630 38.4732 176.5082 80 G 4.0324 8.7286 114.5573 44.6943 0.0000 172.8808 81 E 4.7190 8.7859 115.5570 55.7542 30.8546 174.9385 82 N 5.0991 7.6444 116.0978 50.8749 40.9957 175.0471 83 T 4.3813 8.7483 113.5970 67.1683 68.5123 176.3190 84 Q 3.9775 8.2789 120.9450 59.5887 29.0297 178.3990 85 E 4.0632 8.7412 119.3665 59.4293 29.4066 179.2685 86 M 3.9142 8.3368 118.9915 58.2602 31.9725 178.6607 87 L 4.1371 8.2925 119.1985 58.0658 41.8002 179.4802 88 Q 4.0008 8.2591 119.3503 59.3155 28.9747 177.9425 89 C 4.2061 8.7325 118.1883 63.0482 28.1130 175.8419 90 D 4.6876 8.5386 120.6092 57.3913 40.4144 178.6435 91 L 4.0335 8.0105 120.9555 58.0610 41.9826 178.7065 92 N 4.4054 8.6688 117.0918 56.1291 38.4537 177.1701 93 L 4.0287 8.2298 121.8877 58.2177 42.2286 178.9130 94 E 4.1308 8.7474 119.0065 59.3002 29.3492 179.3171 95 L 4.0677 8.1322 119.2948 57.4765 41.7083 179.4250 96 K 3.9601 8.0103 119.3684 59.4493 32.1942 178.8020 97 A 4.0550 8.1373 121.1036 55.4209 18.2567 179.8383 98 T 3.8802 8.0444 114.4040 66.4267 68.6092 176.8777 99 K 3.9117 7.8794 121.1407 59.8156 32.2924 178.4587 100 D 4.4279 8.0205 118.8402 57.4568 40.7182 178.9743 101 L 4.0221 7.9778 119.4072 57.7007 41.5301 179.5459 102 R 3.9435 8.0952 118.0278 59.5432 30.1054 178.9966 103 E 3.9420 8.1664 117.7413 59.3338 29.3762 179.2931 104 A 3.6077 8.1361 120.8383 55.0455 18.3472 179.7966 105 I 3.6287 7.8689 118.3958 64.2838 37.0841 178.5735 106 V 3.5631 7.9968 119.4468 66.5142 31.3624 177.6101 107 H 4.0593 8.0692 117.5985 59.3795 29.5755 176.9529 108 C 4.0148 8.2595 118.7522 62.5998 27.9245 175.6513 109 E 3.8449 8.2859 120.9230 59.4104 29.0687 178.3809 110 Q 3.9481 7.8696 118.1917 59.0204 29.0582 178.1625 111 V 3.9018 7.1198 109.6020 60.4081 31.9214 175.4745 112 H 2.9531 7.6128 114.5366 57.0791 26.6259 176.1909 113 D 4.5149 7.5526 120.4420 53.5879 38.8432 175.0172 114 Y 4.3292 7.6345 121.9781 60.1717 38.4705 177.3415 115 V 3.6516 7.8518 119.0870 66.0511 31.7745 178.0762 116 S 4.1705 8.5498 115.0130 61.4751 62.5661 176.5704 117 R 3.8696 8.0250 121.3915 59.6721 29.9564 178.1702 118 D 4.3146 8.4058 117.8324 56.9801 41.2503 177.7092 119 L 3.9569 8.0477 121.1219 58.3428 41.9622 179.1003 120 L 4.0636 7.8405 118.7444 57.4094 41.4887 179.3358 121 K 3.9559 8.3477 119.9903 59.4876 32.0210 178.5184 122 D 4.3719 8.0393 119.0296 57.5309 40.7003 178.9985 123 I 3.5042 7.6638 119.9410 64.0980 37.0276 178.0974 124 L 3.9304 8.1756 121.5575 58.2732 41.8931 178.5087 125 E 3.9359 8.4509 119.4122 59.5585 29.4797 178.8526 126 S 4.3350 7.9672 112.8661 61.3743 62.3881 175.9807 127 E 4.1307 8.7002 121.8813 59.4124 29.1429 179.1576 128 E 4.0192 8.7090 119.1724 59.3143 29.4825 179.2243 129 E 4.0326 8.3173 118.9437 59.5483 29.4970 178.7727 130 H 4.3876 8.3843 118.4251 59.3835 29.8734 177.3275 131 I 3.7156 8.1619 121.9314 64.3281 36.8266 177.8273 132 D 4.3122 8.3661 118.9017 57.5208 41.0288 177.5627 133 Y 4.1264 8.1392 119.9197 60.7791 38.7514 178.2388 134 L 3.7276 8.1310 119.6453 57.9343 41.7792 179.4511 135 E 3.9487 8.3352 118.5916 59.4582 29.3347 179.5108 136 T 3.7946 8.0521 116.0553 66.7600 68.5134 176.4993 137 Q 3.8383 7.9332 120.0984 58.9997 28.5618 179.0675 138 L 3.8737 7.7754 119.9969 57.6404 41.5839 179.8561 139 G 3.5455 8.1446 105.7515 47.7338 0.0000 175.8160 140 L 4.0751 7.8040 121.2632 57.3504 41.5909 179.4046 141 I 3.5317 7.5148 119.9864 64.5074 36.7766 178.3887 142 Q 3.9715 7.4501 117.5993 58.9855 28.6132 178.7673 143 K 4.1656 7.8396 118.3657 58.4895 32.3174 178.8664 144 V 4.2202 8.0614 110.0590 59.6013 33.0312 176.6524 145 G 4.1736 7.5089 105.2747 45.7494 0.0000 174.5171 146 L 3.9936 8.4364 121.9493 58.1074 42.1361 179.4054 147 E 3.9766 8.1352 117.9858 59.4844 29.4341 178.9063 148 N 4.3268 8.1334 116.0432 56.3735 38.4506 176.5031 149 Y 3.9886 7.9373 119.8008 60.8393 39.0998 178.0716 150 L 4.0869 8.3334 120.0529 57.6762 41.8392 179.0786 151 Q 3.8972 8.1558 119.5601 59.4157 28.8120 178.4521 152 S 4.2823 7.9986 113.4899 60.2095 63.0485 174.4688 153 H 4.6386 7.7530 118.4599 55.6291 29.6727 175.9986 154 M 4.3580 7.9938 120.6764 57.9047 31.9190 175.9994 155 H 5.1205 7.6412 113.8974 54.0801 30.7588 174.8769 156 E 4.1594 8.6620 121.4339 56.7302 29.4228 176.5980 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 K 8.30 4.24 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 3 G 7.39 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.66 4.38 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 3.96 0.00 1.94 1.78 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.10 7.81 6 K 8.04 4.21 0.00 1.99 1.56 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 7 V 8.24 3.64 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 0.93 0.00 0.00 1.01 0.00 0.00 8 I 7.76 3.72 2.01 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 1.52 0.46 0.91 0.00 0.00 9 Q 8.15 3.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 10 H 8.67 4.18 0.00 3.28 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.57 4.02 0.00 1.78 1.74 0.96 0.70 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 12 N 8.71 4.36 0.00 2.85 2.85 0.00 0.00 6.63 7.58 0.00 0.00 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 8.17 3.92 0.00 1.86 1.95 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.94 3.66 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 1.75 0.73 0.92 0.00 0.00 15 L 8.13 4.01 0.00 1.84 1.88 0.92 0.94 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 16 G 8.36 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.09 4.40 0.00 2.95 2.88 0.00 0.00 7.05 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 18 E 8.39 3.99 0.00 2.13 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 2.55 2.52 0.00 19 L 8.30 3.95 0.00 1.76 1.67 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.59 3.62 1.94 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 1.55 0.84 0.84 0.00 0.00 21 A 7.89 3.28 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 22 I 7.81 3.61 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 0.86 0.00 0.00 23 N 7.81 4.36 0.00 2.70 2.83 0.00 0.00 6.76 7.59 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 24 Q 8.19 3.86 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 25 Y 7.99 4.78 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.50 3.96 0.00 3.32 3.07 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 27 L 8.20 3.97 0.00 1.89 1.66 0.87 0.82 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 28 H 8.25 3.79 0.00 3.49 2.81 0.00 5.70 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 29 S 8.44 4.36 0.00 3.95 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 30 R 7.96 3.88 0.00 1.97 1.88 0.00 2.94 0.00 0.00 2.50 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 31 M 8.02 3.48 0.00 0.85 1.55 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.18 0.00 32 W 7.97 4.59 0.00 3.68 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.57 4.38 0.00 2.83 2.85 0.00 0.00 6.69 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 34 D 8.08 4.36 0.00 2.51 2.63 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 0.00 0.00 0.00 0.00 35 W 7.87 4.88 0.00 3.73 3.19 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 36 G 8.33 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 37 L 7.87 4.85 0.00 1.98 1.60 1.28 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.38 4.01 0.00 2.02 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 R 8.03 3.88 0.00 2.03 1.91 0.00 3.12 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.74 3.83 0.00 1.26 0.14 0.30 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.36 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.23 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.37 3.95 0.00 3.24 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.45 4.01 0.00 2.53 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 0.00 2.78 2.71 0.00 45 Y 8.17 4.03 0.00 2.99 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 46 H 8.14 4.02 0.00 3.32 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.06 3.88 0.00 1.98 1.75 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 2.26 2.11 0.00 48 S 8.19 4.26 0.00 4.13 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 49 I 7.75 3.59 1.82 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.43 0.84 0.00 0.00 50 D 8.13 4.28 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.16 0.00 2.16 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 2.71 2.63 0.00 52 M 8.14 4.04 0.00 2.03 2.22 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 2.83 2.54 0.00 53 K 8.09 4.00 0.00 1.85 1.82 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 54 H 8.13 4.30 0.00 3.50 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.42 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.30 0.00 2.79 2.86 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 57 K 8.01 3.99 0.00 2.04 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 58 L 8.05 4.03 0.00 1.89 1.73 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.04 3.72 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.92 0.00 0.00 60 E 8.33 4.02 0.00 2.03 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 2.34 2.42 0.00 61 R 8.08 3.99 0.00 2.05 2.11 0.00 3.30 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 1.68 1.80 0.00 62 I 8.12 3.72 2.02 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 0.57 0.96 0.00 0.00 63 L 8.06 4.00 0.00 2.07 1.77 0.98 0.82 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 64 F 8.21 4.25 0.00 2.95 3.23 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 65 L 8.15 3.94 0.00 1.84 1.60 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.64 0.00 2.02 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 2.18 2.16 0.00 67 G 7.95 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.00 4.56 0.00 1.61 1.61 0.91 1.00 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 69 P 0.00 4.34 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.39 4.63 0.00 2.61 2.82 0.00 0.00 7.14 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 71 L 8.28 4.55 0.00 1.63 1.64 0.91 0.95 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 72 Q 8.63 4.13 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.08 4.73 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 74 L 8.31 4.54 0.00 1.51 1.51 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.35 4.09 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.41 4.10 0.00 1.63 1.55 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.82 4.45 0.00 1.79 1.68 0.96 0.75 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 79 I 7.94 4.29 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.90 0.00 0.00 80 G 8.73 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.79 4.72 0.00 2.17 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 0.00 2.37 2.23 0.00 82 N 7.64 5.10 0.00 2.86 2.87 0.00 0.00 6.25 7.22 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 83 T 8.75 4.38 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 1.51 0.00 0.00 84 Q 8.28 3.98 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 85 E 8.74 4.06 0.00 2.25 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 2.35 2.47 0.00 86 M 8.34 3.91 0.00 1.29 2.16 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.14 0.00 87 L 8.29 4.14 0.00 1.90 1.74 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.26 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.73 4.21 0.00 3.30 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 90 D 8.54 4.69 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.01 4.03 0.00 1.79 1.94 0.93 0.72 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 92 N 8.67 4.41 0.00 2.79 2.88 0.00 0.00 6.62 6.28 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 93 L 8.23 4.03 0.00 1.92 1.94 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.75 4.13 0.00 2.05 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 2.71 2.53 0.00 95 L 8.13 4.07 0.00 1.73 1.73 0.97 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.01 3.96 0.00 1.85 1.95 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.14 4.06 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 98 T 8.04 3.88 4.62 0.00 0.00 0.00 0.00 0.00 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 99 K 7.88 3.91 0.00 1.92 1.99 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 100 D 8.02 4.43 0.00 2.94 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 0.00 101 L 7.98 4.02 0.00 1.97 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.10 3.94 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 103 E 8.17 3.94 0.00 2.08 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 2.34 0.00 104 A 8.14 3.61 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 0.00 105 I 7.87 3.63 2.01 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 0.63 0.93 0.00 0.00 106 V 8.00 3.56 2.24 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 1.07 0.00 0.00 0.96 0.00 0.00 107 H 8.07 4.06 0.00 3.27 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.26 4.01 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.29 3.84 0.00 2.12 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 0.00 2.37 2.44 0.00 110 Q 7.87 3.95 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 111 V 7.12 3.90 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 0.65 0.00 0.00 0.84 0.00 0.00 112 H 7.61 2.95 0.00 3.13 3.14 0.00 5.66 0.00 0.00 0.00 0.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.55 4.51 0.00 2.60 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.33 0.00 3.11 2.93 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 0.00 115 V 7.85 3.65 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 1.07 0.00 0.00 0.99 0.00 0.00 116 S 8.55 4.17 0.00 4.16 3.92 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 0.00 117 R 8.02 3.87 0.00 1.94 2.21 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.41 4.31 0.00 3.07 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 0.00 119 L 8.05 3.96 0.00 1.93 1.86 0.94 0.42 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 0.00 120 L 7.84 4.06 0.00 1.90 1.70 0.93 0.85 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 0.00 121 K 8.35 3.96 0.00 1.92 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.04 4.37 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.50 1.97 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 1.17 0.68 0.85 0.00 0.00 124 L 8.18 3.93 0.00 1.82 1.88 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.45 3.94 0.00 2.07 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 2.33 2.35 0.00 126 S 7.97 4.34 0.00 3.96 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 0.00 127 E 8.70 4.13 0.00 2.15 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 0.00 2.62 2.53 0.00 128 E 8.71 4.02 0.00 2.15 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 2.36 2.53 0.00 129 E 8.32 4.03 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 130 H 8.38 4.39 0.00 3.28 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.16 3.72 2.07 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 1.43 0.55 0.93 0.00 0.00 132 D 8.37 4.31 0.00 2.92 2.93 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 0.00 133 Y 8.14 4.13 0.00 3.13 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.13 3.73 0.00 2.08 1.66 1.05 0.62 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 0.00 135 E 8.34 3.95 0.00 1.98 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 2.31 2.49 0.00 136 T 8.05 3.79 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 1.19 0.00 0.00 137 Q 7.93 3.84 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 1.44 1.82 0.00 138 L 7.78 3.87 0.00 1.82 1.62 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.14 3.55 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 0.00 0.00 0.00 140 L 7.80 4.08 0.00 1.88 1.89 1.02 0.68 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 0.00 141 I 7.51 3.53 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.15 0.81 0.00 0.00 142 Q 7.45 3.97 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 143 K 7.84 4.17 0.00 1.75 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.72 7.81 144 V 8.06 4.22 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 0.78 0.00 0.00 1.14 0.00 0.00 145 G 7.51 4.17 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 0.00 0.00 0.00 146 L 8.44 3.99 0.00 1.77 1.69 0.96 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 0.00 147 E 8.14 3.98 0.00 2.06 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 2.40 2.40 0.00 148 N 8.13 4.33 0.00 3.08 2.89 0.00 0.00 6.73 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 0.00 149 Y 7.94 3.99 0.00 3.01 3.15 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 0.00 150 L 8.33 4.09 0.00 1.89 1.72 0.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.16 3.90 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 152 S 8.00 4.28 0.00 3.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.75 4.64 0.00 3.05 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.99 4.36 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 155 H 7.64 5.12 0.00 3.09 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.66 4.16 0.00 1.95 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 2.30 2.29 0.00