NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3375 8.2649 123.5796 51.9037 19.9821 176.4538 3 R 3.9447 8.4074 117.0300 58.5906 30.7242 176.4423 4 R 3.8014 8.6165 117.2971 58.1880 30.3133 178.6017 5 R 4.3405 8.3325 123.3881 56.5409 32.0839 176.3405 6 R 4.3599 8.0651 115.7270 59.7390 30.7636 178.0405 7 A 3.6258 8.1132 114.2801 52.5638 15.0695 176.7039 8 E 3.8594 8.1987 122.5551 55.9135 30.2756 178.9692 9 V 3.6911 8.0486 119.2559 61.7569 30.2684 174.8285 10 R 3.6668 8.4525 126.3527 56.7109 29.9405 175.6237 11 Q 4.2432 8.5269 127.0172 54.7958 28.9562 175.2770 12 L 4.2855 8.2824 125.6021 54.3648 42.6663 175.9851 13 Q 4.5586 7.9982 120.7212 54.6439 30.3239 172.7069 14 P 4.1176 0.0000 0.0000 60.0239 32.8402 175.1886 15 D 4.6802 8.7513 121.3357 54.8787 41.8514 175.9451 16 L 4.9784 8.0156 120.0649 53.7498 42.2484 176.8734 17 V 4.2994 7.5513 118.0306 63.7745 37.5517 172.5852 18 Y 4.5123 8.2323 112.9514 56.8303 40.2785 175.4225 19 G 4.4778 8.1232 108.4185 46.4216 0.0000 173.8376 20 D 4.8404 7.6130 117.7531 51.6430 44.4738 175.6771 21 V 3.6266 8.8146 120.4627 64.8192 31.4945 177.8717 22 L 3.9822 8.2514 119.2134 58.7729 41.7538 178.7567 23 V 3.0745 8.0928 118.0156 65.8104 31.3710 177.6611 24 T 3.7840 7.8499 108.8868 65.2004 68.3612 175.3486 25 A 3.9540 7.9122 123.4103 55.0322 18.0858 178.9095 26 F 4.0281 7.7244 117.5415 61.7452 39.6229 177.0377 27 I 3.6117 7.2138 118.3530 64.6127 36.8423 177.8859 28 N 4.2614 8.6615 117.2655 56.3928 38.2596 176.9233 29 K 4.2407 7.7918 115.8349 57.3429 32.2405 178.2347 30 I 3.8834 7.3912 120.9406 61.9649 38.1712 176.1980 31 M 4.1721 6.9810 118.8839 55.5224 32.8722 175.4863 32 R 4.5895 7.8833 122.5548 55.6629 33.8871 174.9953 33 D 4.5097 9.6281 118.9567 54.9955 38.4824 173.9454 34 G 3.9663 8.1258 103.8757 46.7480 0.0000 175.8426 35 K 4.3235 7.7889 121.0790 54.1888 30.8133 177.1494 36 K 3.9228 8.1339 124.0773 59.5719 32.4998 177.0236 37 N 4.4092 8.2829 116.0928 56.7064 38.2220 176.9630 38 L 3.9561 8.0584 120.2320 57.5983 41.9285 178.6030 39 A 3.9186 7.5487 119.3518 54.6589 18.7497 179.1988 40 A 3.9793 8.8541 120.1429 55.3339 18.4774 179.3730 41 R 4.0898 8.3774 117.5916 60.1786 29.9721 177.9754 42 I 3.7089 7.4179 118.8176 65.0015 37.2181 177.5979 43 F 4.2631 8.0883 120.1580 62.3749 39.0828 177.1501 44 Y 3.7648 7.4993 115.6601 61.0949 37.6482 177.9570 45 D 4.4492 8.4611 117.9308 57.2824 41.2894 177.8731 46 A 4.3342 8.1216 120.8093 54.3929 19.1980 178.7861 47 C 3.7148 8.0365 115.6167 63.2436 27.7304 176.7267 48 K 4.0746 8.5436 120.1743 59.3150 31.6112 179.4567 49 I 3.5190 7.9654 120.3395 64.2553 36.8616 178.2879 50 I 3.7385 7.4804 121.0615 64.2784 36.8671 178.1380 51 Q 4.1840 7.4811 118.0856 58.2396 28.7839 178.4276 52 E 4.4592 7.7469 118.5244 57.9866 30.5573 177.0847 53 K 4.4306 7.9666 115.8672 55.9078 32.1153 176.6588 54 T 4.1363 7.1799 110.1273 61.7774 69.6945 172.8307 55 G 4.0224 8.6658 116.2974 46.0604 0.0000 173.3228 56 Q 4.6446 7.4188 115.1075 53.4349 33.1292 175.4357 57 E 4.2687 8.5802 120.0979 55.3319 30.5343 175.9543 58 P 4.1826 0.0000 0.0000 66.1637 30.9291 178.1631 59 L 3.8212 7.9772 117.4074 56.4362 42.1395 177.5766 60 K 4.4579 8.0913 117.3436 58.1876 33.5193 178.5077 61 V 3.5507 7.6512 118.1042 66.0368 31.6879 177.4304 62 F 3.8871 8.5103 120.7641 61.4814 38.9147 176.6585 63 K 3.8009 7.8719 118.7330 59.7742 31.9870 178.7792 64 Q 3.8900 7.9263 117.1169 58.8882 28.6474 178.1706 65 A 3.8925 8.2733 121.0709 55.3575 18.4588 179.6508 66 V 3.5313 7.3339 115.8784 65.8129 31.6071 177.7324 67 E 3.8341 8.2340 119.8149 59.5097 29.5093 177.8739 68 N 4.8013 8.6259 112.8651 53.8606 38.2735 175.3766 69 V 4.3313 7.8939 116.1739 62.2257 32.4571 175.5919 70 K 4.3609 7.7808 118.9886 53.8879 31.1531 174.3365 71 P 4.4375 0.0000 0.0000 62.8638 30.9799 176.1498 72 R 4.0852 9.0225 124.5644 59.4081 30.0113 175.8961 73 M 5.1092 7.7520 115.4913 53.8576 36.8038 173.8581 74 E 4.7744 9.0029 120.0372 54.6506 33.9305 174.5871 75 V 4.6118 8.3115 112.6571 60.0593 32.7211 176.0929 76 R 4.6654 8.4340 125.2099 54.7115 31.7115 176.6028 77 S 4.7012 8.6396 116.9672 58.4202 63.8980 173.1217 78 R 4.8046 9.3003 124.2020 55.1920 33.9379 174.0602 79 R 5.3724 9.0465 124.2421 53.2335 31.3081 173.9108 80 V 4.1985 8.0979 122.8171 60.3804 33.3825 176.8263 81 G 4.3713 9.3746 113.5927 46.5987 0.0000 173.0733 82 G 3.7859 8.3120 101.5760 45.9611 0.0000 174.6511 83 A 4.2703 7.4544 119.8782 50.3470 22.8926 176.8811 84 N 4.9032 8.0405 123.6837 52.5285 37.9540 174.3143 85 Y 4.0673 7.5155 118.6892 57.4528 39.7329 178.0196 86 Q 4.7505 7.8989 121.5567 54.7224 27.6444 176.0937 87 V 3.6568 7.6766 119.0517 62.5464 33.2489 173.7466 88 P 4.8724 0.0000 0.0000 62.8100 32.1923 175.2405 89 M 4.7532 9.3196 123.6708 53.1464 36.0710 174.9682 90 E 4.5130 8.6347 119.8759 56.2584 30.9222 176.1089 91 V 4.4169 7.6702 121.4959 61.0577 33.4177 175.9141 92 S 4.3211 8.6464 124.1776 57.6398 63.6703 173.0453 93 P 4.2794 0.0000 0.0000 66.4248 30.7792 178.5787 94 R 3.8588 8.0828 117.2552 59.1954 29.9977 178.8049 95 R 3.9890 7.7859 117.6048 59.3574 30.1290 178.1888 96 Q 3.9917 8.9758 119.1377 59.6131 28.5805 177.5197 97 Q 3.8885 8.9670 120.8599 59.3720 28.6646 178.4350 98 S 4.0381 7.8901 113.4785 61.7532 63.3506 176.8740 99 L 3.3307 7.6618 120.9708 57.5697 41.2814 179.2232 100 A 4.0879 7.8998 120.5413 55.2312 18.4391 179.2822 101 L 4.0146 8.1808 117.2006 58.1100 41.8609 179.6799 102 R 3.8052 8.5269 119.2252 59.4486 29.8517 178.3271 103 W 4.5173 8.1274 118.6742 59.9295 29.0821 178.0416 104 L 4.1894 8.1351 118.8031 58.2024 41.1944 179.7215 105 V 3.5424 7.7942 117.1966 66.2087 30.9682 178.0185 106 Q 3.9664 8.2424 117.2203 59.1607 28.4453 178.6712 107 A 4.0570 8.6933 120.5545 55.5357 18.7152 178.9705 108 A 4.0585 8.1995 119.2942 55.3341 18.2973 179.3115 109 N 4.3374 8.2931 115.0544 55.9122 38.8306 177.5815 110 Q 4.1082 7.7452 118.4285 58.5814 29.2372 176.4652 111 R 3.9102 6.9063 117.5624 54.6306 31.2761 174.5449 112 P 4.6435 0.0000 0.0000 62.9645 31.6393 176.1792 113 E 4.1116 7.9052 119.1624 56.5340 29.3227 176.6123 114 R 3.9657 8.0176 123.5374 59.0864 30.7502 176.7545 115 R 3.9921 7.8616 114.7122 55.9463 30.5032 176.6770 116 A 3.5867 8.5690 123.6448 55.5474 19.0091 180.1872 117 A 3.7311 7.1744 113.5724 53.7699 19.7709 179.6428 118 V 3.4147 7.6154 109.7377 64.7268 31.8045 178.8754 119 R 3.9108 8.4101 117.6155 59.5503 29.9360 178.8082 120 I 3.8269 7.9005 118.3267 65.4056 37.1725 177.2384 121 A 3.9796 8.6101 120.5090 55.0508 17.7795 179.0389 122 H 4.0637 8.7571 112.7862 58.5425 29.1904 176.8666 123 E 4.0871 8.8543 120.8730 59.8336 29.3452 178.9199 124 L 3.9267 8.4405 118.8950 58.1551 41.6180 179.6223 125 M 4.1689 8.3399 118.7062 58.5380 32.0101 178.3932 126 D 4.3425 8.9427 119.4207 57.4885 41.0041 178.9666 127 A 3.9810 9.1090 121.9439 55.1369 18.1841 179.5458 128 A 3.8574 8.5281 119.0070 54.8041 18.4366 178.4196 129 E 4.3051 8.1580 115.8037 54.8809 30.8526 176.4953 130 G 4.0153 8.4728 105.7032 46.3734 0.0000 174.3956 131 K 4.4478 8.5000 111.4912 56.7871 34.8739 175.2685 132 G 4.1723 7.8638 106.6080 43.3361 0.0000 175.3029 133 G 3.5673 8.5217 105.7539 47.4243 0.0000 175.6452 134 A 4.0303 8.2532 122.6206 55.3359 18.1682 179.6144 135 V 3.6235 7.8540 116.4517 65.5536 31.6736 177.9613 136 K 3.7742 7.8366 120.3162 58.7543 31.7350 178.5079 137 K 3.6627 7.7638 118.5668 58.5746 31.9514 179.2171 138 K 3.6850 7.1088 119.2768 59.2564 32.1452 178.7070 139 E 3.8441 8.8450 119.5851 59.2485 29.5851 178.3176 140 D 4.3901 7.9549 117.8927 57.6739 41.2219 178.7514 141 V 3.5737 7.3526 117.7767 66.4361 31.3257 177.9960 142 E 4.3460 7.6678 116.7964 58.6863 29.3654 179.1571 143 R 4.0146 8.1026 119.2159 59.0161 30.0965 178.3113 144 M 3.8333 8.1177 117.5069 58.8659 31.9286 178.6545 145 A 3.9623 7.7220 119.4347 55.3313 18.5588 178.9486 146 E 4.1978 8.7310 115.4314 58.0104 30.1368 178.5505 147 A 4.1241 7.6990 121.1619 55.0948 18.4108 178.6550 148 N 4.3769 8.3820 111.2057 54.0198 38.1865 177.0997 149 R 3.8160 7.6286 122.6185 58.9601 29.5958 176.7071 150 A 3.4746 6.4360 116.7565 55.9130 18.9868 177.7279 151 Y 4.1250 6.5071 116.0002 54.9406 37.2962 175.2524 152 A 4.2872 7.5290 128.2173 54.5317 20.4904 179.1591 153 H 4.0545 8.3443 115.0559 59.9933 29.6512 175.8377 154 Y 4.4254 7.5655 111.1209 59.0129 37.2103 175.8467 155 R 3.8386 7.8627 122.0789 55.4903 31.0229 176.4169 156 W 4.8312 7.4605 116.1474 56.6749 28.2492 174.8249 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 4.34 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 3 R 8.41 3.94 0.00 1.88 1.98 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 4 R 8.62 3.80 0.00 1.79 1.74 0.00 3.20 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 5 R 8.33 4.34 0.00 1.77 1.89 0.00 3.18 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 6 R 8.07 4.36 0.00 1.74 1.88 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 7 A 8.11 3.63 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 8 E 8.20 3.86 0.00 2.08 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 2.29 2.29 0.00 9 V 8.05 3.69 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 0.78 0.00 0.00 0.93 0.00 0.00 10 R 8.45 3.67 0.00 1.80 1.87 0.00 3.27 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 11 Q 8.53 4.24 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 12 L 8.28 4.29 0.00 1.67 1.61 0.93 0.92 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 13 Q 8.00 4.56 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 14 P 0.00 4.12 0.00 2.13 2.12 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 15 D 8.75 4.68 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.02 4.98 0.00 1.68 1.63 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.55 4.30 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 0.35 0.00 0.00 0.54 0.00 0.00 18 Y 8.23 4.51 0.00 3.13 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 19 G 8.12 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 0.00 0.00 0.00 0.00 20 D 7.61 4.84 0.00 2.91 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 21 V 8.81 3.63 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 0.79 0.00 0.00 0.97 0.00 0.00 22 L 8.25 3.98 0.00 1.84 2.31 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.09 3.07 2.34 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 1.09 0.00 0.00 0.81 0.00 0.00 24 T 7.85 3.78 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 1.32 0.00 0.00 25 A 7.91 3.95 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.72 4.03 0.00 2.94 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 27 I 7.21 3.61 1.94 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.22 0.92 0.00 0.00 28 N 8.66 4.26 0.00 2.81 2.84 0.00 0.00 7.12 7.74 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 29 K 7.79 4.24 0.00 1.66 1.71 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 30 I 7.39 3.88 1.80 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.79 0.00 0.00 31 M 6.98 4.17 0.00 2.07 1.92 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 2.69 2.49 0.00 32 R 7.88 4.59 0.00 1.84 1.73 0.00 3.31 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 33 D 9.63 4.51 0.00 2.78 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 34 G 8.13 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 35 K 7.79 4.32 0.00 1.93 1.77 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.52 7.81 36 K 8.13 3.92 0.00 1.82 1.83 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.57 7.81 37 N 8.28 4.41 0.00 2.79 2.91 0.00 0.00 6.64 6.74 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 38 L 8.06 3.96 0.00 1.77 1.68 0.94 1.10 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 39 A 7.55 3.92 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 40 A 8.85 3.98 1.54 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 41 R 8.38 4.09 0.00 1.98 2.20 0.00 3.17 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 42 I 7.42 3.71 2.14 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 1.45 0.76 1.00 0.00 0.00 43 F 8.09 4.26 0.00 2.83 2.73 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 0.00 0.00 0.00 0.00 44 Y 7.50 3.76 0.00 3.11 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 45 D 8.46 4.45 0.00 2.87 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 46 A 8.12 4.33 1.46 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 0.00 0.00 47 C 8.04 3.71 0.00 2.95 2.95 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 48 K 8.54 4.07 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.64 7.81 49 I 7.97 3.52 2.07 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 1.74 0.86 0.94 0.00 0.00 50 I 7.48 3.74 2.10 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 1.75 0.78 0.99 0.00 0.00 51 Q 7.48 4.18 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 52 E 7.75 4.46 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 53 K 7.97 4.43 0.00 1.85 1.84 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.57 7.81 54 T 7.18 4.14 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 1.25 0.00 0.00 55 G 8.67 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 56 Q 7.42 4.64 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 57 E 8.58 4.27 0.00 2.14 1.95 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 2.44 2.39 0.00 58 P 0.00 4.18 0.00 1.96 2.42 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 59 L 7.98 3.82 0.00 1.64 1.92 0.89 0.84 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 60 K 8.09 4.46 0.00 2.01 1.83 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 61 V 7.65 3.55 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 1.04 0.00 0.00 1.00 0.00 0.00 62 F 8.51 3.89 0.00 3.10 3.04 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 63 K 7.87 3.80 0.00 1.92 2.01 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 64 Q 7.93 3.89 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 65 A 8.27 3.89 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 66 V 7.33 3.53 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 0.89 0.00 0.00 -0.00 0.00 0.00 67 E 8.23 3.83 0.00 2.13 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 2.29 2.33 0.00 68 N 8.63 4.80 0.00 2.85 2.82 0.00 0.00 6.76 7.66 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 69 V 7.89 4.33 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 1.07 0.00 0.00 1.05 0.00 0.00 70 K 7.78 4.36 0.00 1.86 1.98 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.58 1.59 7.81 71 P 0.00 4.44 0.00 2.34 2.33 0.00 4.00 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.55 0.00 72 R 9.02 4.09 0.00 1.99 2.00 0.00 3.23 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 73 M 7.75 5.11 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 74 E 9.00 4.77 0.00 2.10 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 2.22 2.29 0.00 75 V 8.31 4.61 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 0.75 0.00 0.00 0.98 0.00 0.00 76 R 8.43 4.67 0.00 1.71 2.01 0.00 3.30 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 77 S 8.64 4.70 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 9.30 4.80 0.00 2.20 1.98 0.00 3.26 0.00 0.00 3.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 79 R 9.05 5.37 0.00 1.67 1.79 0.00 3.24 0.00 0.00 3.90 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 80 V 8.10 4.20 1.95 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 0.61 0.00 0.00 0.76 0.00 0.00 81 G 9.37 4.37 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 0.00 82 G 8.31 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 83 A 7.45 4.27 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.04 4.90 0.00 2.57 2.67 0.00 0.00 7.17 7.54 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 85 Y 7.52 4.07 0.00 2.96 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 0.00 0.00 0.00 86 Q 7.90 4.75 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 87 V 7.68 3.66 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.05 0.00 0.00 88 P 0.00 4.87 0.00 2.07 2.14 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 89 M 9.32 4.75 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 90 E 8.63 4.51 0.00 1.86 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 2.27 2.26 0.00 91 V 7.67 4.42 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 0.78 0.00 0.00 1.07 0.00 0.00 92 S 8.65 4.32 0.00 3.94 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 93 P 0.00 4.28 0.00 2.26 2.34 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 94 R 8.08 3.86 0.00 1.87 2.04 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 95 R 7.79 3.99 0.00 1.86 2.05 0.00 3.19 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 96 Q 8.98 3.99 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.51 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 97 Q 8.97 3.89 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 98 S 7.89 4.04 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.66 3.33 0.00 1.47 0.41 0.83 0.24 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 0.00 100 A 7.90 4.09 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 0.00 101 L 8.18 4.01 0.00 1.81 1.84 0.99 0.90 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 0.00 102 R 8.53 3.81 0.00 1.72 1.72 0.00 2.90 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 103 W 8.13 4.52 0.00 3.62 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 0.00 104 L 8.14 4.19 0.00 2.24 2.15 0.99 0.97 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 0.00 105 V 7.79 3.54 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 0.90 0.00 0.00 0.69 0.00 0.00 106 Q 8.24 3.97 0.00 2.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 107 A 8.69 4.06 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.20 4.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.29 4.34 0.00 2.73 2.93 0.00 0.00 7.22 7.49 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 0.00 110 Q 7.75 4.11 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 111 R 6.91 3.91 0.00 1.87 1.91 0.00 3.38 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 112 P 0.00 4.64 0.00 2.19 2.15 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 113 E 7.91 4.11 0.00 2.00 1.95 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 2.35 2.38 0.00 114 R 8.02 3.97 0.00 1.81 1.90 0.00 3.38 0.00 0.00 3.24 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 115 R 7.86 3.99 0.00 1.88 1.87 0.00 3.18 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 116 A 8.57 3.59 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 0.00 117 A 7.17 3.73 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 0.00 118 V 7.62 3.41 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 0.73 0.00 0.00 1.00 0.00 0.00 119 R 8.41 3.91 0.00 1.90 2.03 0.00 3.27 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 120 I 7.90 3.83 2.16 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 1.66 1.04 1.40 0.00 0.00 121 A 8.61 3.98 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 0.00 122 H 8.76 4.06 0.00 3.22 3.40 0.00 5.67 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 0.00 123 E 8.85 4.09 0.00 2.16 2.30 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 2.43 2.51 0.00 124 L 8.44 3.93 0.00 2.00 1.75 1.12 0.71 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 0.00 125 M 8.34 4.17 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 126 D 8.94 4.34 0.00 2.83 2.73 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 0.00 0.00 0.00 0.00 127 A 9.11 3.98 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 0.00 128 A 8.53 3.86 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 0.00 129 E 8.16 4.31 0.00 1.99 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 2.29 2.35 0.00 130 G 8.47 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 0.00 131 K 8.50 4.45 0.00 1.80 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.37 7.81 132 G 7.86 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 0.00 133 G 8.52 3.57 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 0.00 0.00 0.00 134 A 8.25 4.03 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 0.00 135 V 7.85 3.62 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 0.99 0.00 0.00 1.01 0.00 0.00 136 K 7.84 3.77 0.00 1.78 1.77 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.30 7.81 137 K 7.76 3.66 0.00 1.56 0.74 0.00 1.48 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.10 1.15 7.81 138 K 7.11 3.69 0.00 1.90 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.60 7.81 139 E 8.85 3.84 0.00 2.09 1.91 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 2.28 2.38 0.00 140 D 7.95 4.39 0.00 2.81 2.54 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 0.00 141 V 7.35 3.57 2.20 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 1.09 0.00 0.00 0.94 0.00 0.00 142 E 7.67 4.35 0.00 2.18 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 2.36 2.29 0.00 143 R 8.10 4.01 0.00 2.04 1.90 0.00 3.13 0.00 0.00 3.14 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 144 M 8.12 3.83 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.08 0.00 145 A 7.72 3.96 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 0.00 146 E 8.73 4.20 0.00 2.01 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 2.29 2.44 0.00 147 A 7.70 4.12 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 0.00 148 N 8.38 4.38 0.00 2.87 3.15 0.00 0.00 6.76 8.42 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 0.00 149 R 7.63 3.82 0.00 1.76 1.96 0.00 3.56 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 1.59 1.56 0.00 150 A 6.44 3.47 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 0.00 151 Y 6.51 4.13 0.00 2.31 2.49 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 0.00 0.00 0.00 0.00 152 A 7.53 4.29 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.34 4.05 0.00 2.99 3.15 0.00 5.94 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 Y 7.57 4.43 0.00 2.89 2.87 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 0.00 155 R 7.86 3.84 0.00 1.73 1.79 0.00 3.11 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 0.00 156 W 7.46 4.83 0.00 3.32 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00