NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4445 8.3049 118.2080 54.7590 32.5916 174.6709 2 N 4.2722 8.2619 116.3350 51.8006 39.2071 172.6865 3 Y 4.8706 7.0541 117.1850 56.6133 41.5426 172.5103 4 E 4.7891 8.6883 116.5972 54.8912 33.6746 174.0809 5 I 4.6498 8.2380 121.6834 60.5140 38.3677 175.4392 6 K 4.6828 9.1787 125.9215 54.5528 36.2748 175.4409 7 Q 4.7728 8.8486 125.2140 55.4781 29.3077 174.4343 8 E 4.7861 9.3655 127.2745 55.0773 31.8704 176.1258 9 E 4.8754 8.6683 122.5948 55.0067 31.1594 176.2270 10 K 4.4210 8.5837 120.3074 57.4195 33.7003 176.2646 11 R 4.5603 8.8869 120.0100 54.6897 33.5087 174.8179 12 T 4.7270 8.2719 119.9803 62.5059 70.3462 174.1506 13 V 4.6307 8.7612 119.2664 59.3412 35.8737 174.5338 14 A 4.9035 9.2769 124.7871 48.4453 22.1401 175.9534 15 G 3.8416 7.0551 110.0105 46.3211 0.0000 172.3984 16 F 4.9781 8.4169 122.5603 55.6192 42.7756 173.0787 17 H 5.5885 8.7644 121.7765 53.8699 31.4496 173.7072 18 L 4.9059 8.7974 125.0381 52.8494 45.7313 175.4390 19 V 4.7454 9.0877 121.9193 60.9404 33.8110 174.6535 20 G 4.1241 8.8107 113.8577 42.2400 0.0000 171.7733 21 P 4.1458 0.0000 0.0000 63.0663 31.9946 177.3843 22 W 4.8308 8.5663 122.7480 59.0021 28.8849 178.1673 23 E 4.1663 8.4556 117.3988 58.3804 29.1016 177.7381 24 Q 4.5347 7.9345 116.5975 57.3658 30.8580 177.6704 25 T 3.8907 8.0055 110.7122 64.6856 68.8079 176.6284 26 V 3.4972 7.6103 120.9317 65.5870 31.7392 177.8183 27 K 3.9142 8.0335 118.7107 59.3764 32.1067 178.2984 28 K 4.2334 7.5160 121.2660 58.9365 32.0374 178.8932 29 G 3.6694 8.5221 107.5254 47.4130 0.0000 175.7345 30 F 4.3290 8.2072 120.2374 59.9749 38.5231 177.7937 31 E 4.0220 8.1849 118.2888 59.5338 29.2943 179.2917 32 Q 3.9447 7.8944 118.0604 58.6216 28.5659 178.5660 33 L 4.5316 8.3377 121.6580 58.7764 42.2252 178.9496 34 M 4.5772 8.6976 118.8028 58.8622 31.8778 178.6963 35 M 4.1640 8.1996 118.4667 58.0928 32.1432 178.6780 36 W 4.3426 8.5116 129.8228 60.0215 31.0294 178.0209 37 V 3.1669 8.4950 118.6523 66.1386 30.9432 177.7616 38 D 4.3757 8.4082 118.6864 57.4516 40.2052 178.8947 39 S 4.1852 8.3215 114.7402 60.7492 62.6393 175.6308 40 K 4.2607 7.5726 118.9356 54.7576 32.5734 175.7396 41 N 4.1663 7.7245 115.6692 54.1462 36.6636 174.6273 42 I 3.8711 7.4647 117.5796 60.9857 37.9333 176.9390 43 V 4.1569 7.9399 124.6018 60.2302 31.0136 173.3070 44 P 4.2609 0.0000 0.0000 62.2827 32.0359 176.9249 45 K 4.3115 8.4983 120.0671 58.7319 33.0003 177.0125 46 E 4.8852 7.7670 116.9311 54.7924 34.5367 174.2024 47 W 4.9766 9.1054 122.0151 55.2028 31.5174 175.1833 48 V 5.3704 9.6337 124.5182 61.1050 35.2210 173.7769 49 A 5.1124 9.1746 127.8313 50.1607 21.7172 175.1118 50 V 4.6227 8.4447 123.2264 61.1787 34.0463 173.8953 51 Y 4.7309 8.5917 125.3447 56.5904 39.9677 175.7346 52 Y 4.7231 9.0524 120.7368 58.2256 39.1498 175.1729 53 D 4.8671 8.4315 117.6108 52.4960 45.3422 174.0559 54 N 4.6968 8.4378 119.2581 51.5283 39.1039 173.9075 55 P 3.9542 0.0000 0.0000 64.5085 31.4464 176.3015 56 D 4.6207 8.4627 117.9969 54.4900 41.6565 176.0430 57 E 4.4354 7.8826 115.3988 58.5571 32.0450 176.4733 58 T 4.2066 7.8728 115.1457 61.7547 69.4090 173.0668 59 P 4.1918 0.0000 0.0000 62.5461 32.3859 176.9830 60 A 3.7883 8.7452 125.0285 55.4973 18.3255 179.7231 61 E 4.0249 8.1317 113.4901 58.7524 29.5868 177.6281 62 K 4.5041 7.7669 116.1030 55.9148 33.1241 177.0846 63 L 4.3249 7.7187 121.5182 55.0267 42.9893 176.3643 64 R 5.4348 9.3556 121.1974 54.8518 33.9755 174.2887 65 C 5.2540 8.9309 116.1457 57.2811 33.5281 172.2872 66 D 5.3971 8.9136 120.3048 52.6869 43.9436 175.2319 67 T 4.3225 8.5731 113.4209 60.0647 70.6898 173.4581 68 V 4.8745 8.7577 119.3581 59.9258 37.2330 174.4539 69 V 4.6547 8.3863 114.0937 59.8677 34.7171 175.6694 70 T 4.5202 8.4597 121.7417 63.3246 69.5638 174.3838 71 V 4.5953 8.0942 118.6497 58.3186 35.8323 173.8129 72 P 4.1554 0.0000 0.0000 62.1534 31.5850 178.2569 73 G 3.6756 8.3402 109.8325 48.2608 0.0000 173.9573 74 Y 4.5271 6.9844 115.5123 56.3399 38.4551 175.1839 75 F 4.0126 7.6566 123.0614 59.5600 39.6816 174.3894 76 T 4.2213 7.5484 124.1013 61.0838 69.5987 174.1421 77 L 3.8712 8.2019 129.0462 54.3031 42.5315 175.0063 78 P 4.3855 0.0000 0.0000 62.2348 31.9712 176.1158 79 E 4.0493 8.5360 120.1446 57.4240 30.4628 176.4342 80 N 4.2117 8.6088 115.6777 55.4076 36.3132 175.4802 81 S 5.0580 7.3678 111.6007 57.4234 63.9930 175.0103 82 E 3.9945 7.9483 117.9824 57.6590 30.2345 178.1505 83 G 3.9341 8.7534 109.1749 45.4688 0.0000 173.2321 84 V 3.3169 6.9015 120.6485 61.6401 32.1333 175.5269 85 I 4.1982 8.0847 122.0102 59.7120 40.0444 174.6710 86 L 4.9286 8.0975 124.7435 54.2139 44.4736 174.7108 87 T 4.5128 8.5408 122.7259 61.4178 70.7249 171.8170 88 E 5.1854 8.7187 117.7461 54.9345 33.9547 175.1282 89 I 4.5087 8.3550 123.5380 59.4415 39.2845 175.8272 90 T 4.2687 8.7455 117.5256 61.9139 69.7165 174.2505 91 G 4.0156 8.9947 110.5349 45.4203 0.0000 171.9469 92 G 4.0604 8.1559 105.4510 43.7932 0.0000 172.2043 93 Q 4.9231 8.3884 118.8299 55.7201 30.2955 175.0925 94 Y 5.2389 9.1247 120.1407 56.1297 42.6883 174.4133 95 A 4.7456 9.2929 125.7783 51.6015 20.4396 176.4711 96 V 4.6835 8.9688 121.5224 60.8875 34.6380 174.2898 97 A 4.5752 8.1460 128.2443 49.8113 22.4966 174.6588 98 V 4.6634 7.9809 119.1439 61.0727 34.2334 174.5336 99 A 4.6225 8.7397 127.4731 50.5605 23.2684 174.4926 100 R 4.8864 8.3889 119.3320 54.5160 32.4024 175.0996 101 V 4.0906 9.0721 127.0460 61.2660 33.3641 174.4993 102 V 4.3397 8.2527 128.7580 64.7858 32.5378 173.0955 103 G 4.0069 8.6640 116.2906 44.8004 0.0000 173.1999 104 D 5.1422 8.7618 124.9616 54.3472 41.8047 176.7672 105 D 4.6970 7.6965 121.1597 53.2891 39.4604 175.7959 106 F 4.1943 8.4047 119.8271 58.5060 40.1546 177.4331 107 A 4.2203 8.1048 122.7253 54.2253 18.2520 178.9155 108 K 3.6532 7.9513 118.4387 59.4627 32.1212 176.9305 109 P 4.1599 0.0000 0.0000 65.7205 30.8517 178.2662 110 W 4.1484 7.9968 118.0058 59.8684 29.1190 177.8606 111 Y 4.6858 8.2686 116.6889 61.4355 37.4278 178.7478 112 Q 4.1483 8.5691 119.0975 58.8746 28.7563 178.6703 113 F 4.4071 8.5176 121.7330 61.5136 39.4857 177.1004 114 F 4.2504 8.3952 117.7330 60.7210 38.5191 177.1884 115 N 4.4246 8.3414 115.4045 56.9264 39.1695 176.8165 116 S 4.4266 8.2785 116.4195 61.5170 63.0049 176.4082 117 L 3.9551 8.3417 123.2887 57.8059 41.5326 178.6702 118 L 4.1115 7.9650 119.5020 57.4022 42.0692 177.8743 119 Q 4.4568 7.6185 115.3443 54.8495 29.2354 175.2368 120 D 4.5770 7.6903 121.8147 54.3819 41.5823 176.1382 121 S 4.4591 8.8313 120.0124 59.1214 64.0245 174.1138 122 A 4.5840 9.0776 123.0229 52.2182 21.4375 175.8618 123 Y 5.3160 8.4727 111.0082 56.1639 41.8975 175.0558 124 E 4.8828 9.0910 118.7931 54.6630 33.4106 174.9106 125 M 4.7608 8.6930 120.9022 55.5905 32.7961 175.8641 126 L 4.6381 8.4095 122.7906 52.1495 43.8392 175.7722 127 P 4.6408 0.0000 0.0000 61.8260 29.8684 175.5552 128 K 4.7876 7.3738 119.5544 54.1051 36.6167 174.8945 129 P 4.6723 0.0000 0.0000 63.3439 31.9583 175.1897 130 C 5.3293 8.4466 116.3485 57.1618 32.9538 172.1617 131 F 5.8203 8.7467 113.8385 56.0365 41.5653 172.6971 132 E 5.3249 9.6639 116.7169 54.7463 33.3662 174.3459 133 V 4.8825 8.8798 122.2341 61.7193 33.8524 174.2180 134 Y 4.7451 9.0512 126.6044 56.9600 37.4502 175.4997 135 L 4.4233 8.8986 126.6112 56.9768 42.3950 177.0294 136 N 4.9139 8.0462 113.4185 50.8577 40.6919 173.7506 137 N 4.1029 7.9931 116.9202 51.7135 37.8210 175.2904 138 G 2.0000 5.3800 114.3541 46.0592 0.0000 173.3874 139 A 4.1351 6.6161 121.8251 53.9332 18.4866 177.8348 140 E 4.4465 7.5195 113.4699 56.6086 31.8674 176.9974 141 D 4.1515 7.5282 116.9585 54.5445 41.2855 177.5149 142 G 3.9735 9.3824 106.6586 44.9139 0.0000 172.3737 143 Y 5.0547 6.4614 116.0416 55.4952 41.7425 173.5312 144 W 5.0837 9.3971 121.1768 55.2218 32.2804 174.2448 145 D 5.4228 10.1260 126.1645 53.1067 42.1036 175.8155 146 I 5.0134 8.9146 116.9114 58.9231 41.5422 174.2253 147 E 4.7353 8.7600 124.1026 54.8456 32.1753 174.2964 148 M 4.6677 8.4385 127.8176 54.2285 34.2605 175.0342 149 Y 5.0943 9.0583 120.6042 56.1074 41.4554 174.7418 150 V 4.8483 8.8867 123.6324 60.6474 34.7807 174.5448 151 A 3.9725 8.8426 129.9955 52.2933 19.3609 176.4513 152 V 5.1552 8.1737 114.6476 60.2080 36.5825 174.2551 153 Q 4.8061 8.9502 118.2726 54.1877 32.1199 172.5624 154 P 4.2796 0.0000 0.0000 62.3593 32.2923 176.7596 155 K 4.2838 8.5011 121.7333 56.8728 31.9401 177.0961 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 1 M 8.30 4.44 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 2 N 8.26 4.27 0.00 2.70 2.63 0.00 0.00 6.72 6.57 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 3 Y 7.05 4.87 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 4.79 0.00 1.98 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 2.12 2.25 0.00 5 I 8.24 4.65 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.36 0.64 0.00 0.00 6 K 9.18 4.68 0.00 1.75 1.74 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.35 7.81 7 Q 8.85 4.77 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 8 E 9.37 4.79 0.00 2.16 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 2.53 2.55 0.00 9 E 8.67 4.88 0.00 1.87 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 2.33 2.34 0.00 10 K 8.58 4.42 0.00 1.85 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 11 R 8.89 4.56 0.00 1.41 1.58 0.00 2.42 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 12 T 8.27 4.73 4.31 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 1.16 0.00 0.00 13 V 8.76 4.63 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 0.50 0.00 0.00 0.86 0.00 0.00 14 A 9.28 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.06 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.42 4.98 0.00 2.92 2.84 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 0.00 0.00 0.00 0.00 17 H 8.76 5.59 0.00 3.07 3.14 0.00 5.49 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.80 4.91 0.00 1.61 1.50 0.89 0.82 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 19 V 9.09 4.75 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 0.86 0.00 0.00 0.95 0.00 0.00 20 G 8.81 4.12 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 0.00 0.00 0.00 21 P 0.00 4.15 0.00 2.28 2.18 0.00 3.71 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 2.15 2.07 0.00 22 W 8.57 4.83 0.00 3.50 3.26 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 23 E 8.46 4.17 0.00 1.97 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 2.37 2.54 0.00 24 Q 7.93 4.53 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 25 T 8.01 3.89 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 1.40 0.00 0.00 26 V 7.61 3.50 2.23 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 1.13 0.00 0.00 0.92 0.00 0.00 27 K 8.03 3.91 0.00 1.83 1.79 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.47 7.81 28 K 7.52 4.23 0.00 1.94 1.98 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.26 7.81 29 G 8.52 3.67 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 0.00 0.00 0.00 30 F 8.21 4.33 0.00 3.13 3.01 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 31 E 8.18 4.02 0.00 2.19 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 2.35 2.72 0.00 32 Q 7.89 3.94 0.00 1.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 33 L 8.34 4.53 0.00 2.16 2.25 1.17 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.70 4.58 0.00 2.21 2.24 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 2.98 2.53 0.00 35 M 8.20 4.16 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.61 0.00 36 W 8.51 4.34 0.00 3.68 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 37 V 8.49 3.17 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 1.03 0.00 0.00 0.92 0.00 0.00 38 D 8.41 4.38 0.00 2.79 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 39 S 8.32 4.19 0.00 4.08 4.26 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 40 K 7.57 4.26 0.00 1.19 1.60 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.07 0.98 7.81 41 N 7.72 4.17 0.00 2.84 2.86 0.00 0.00 6.96 7.46 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 42 I 7.46 3.87 1.55 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.11 0.69 0.00 0.00 43 V 7.94 4.16 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 0.86 0.00 0.00 0.94 0.00 0.00 44 P 0.00 4.26 0.00 1.61 1.44 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.62 0.00 45 K 8.50 4.31 0.00 1.66 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.31 7.81 46 E 7.77 4.89 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 2.35 2.33 0.00 47 W 9.11 4.98 0.00 3.48 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.63 5.37 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 1.19 0.00 0.00 0.99 0.00 0.00 49 A 9.17 5.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.44 4.62 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 0.52 0.00 0.00 0.77 0.00 0.00 51 Y 8.59 4.73 0.00 2.74 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 52 Y 9.05 4.72 0.00 3.01 3.10 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 53 D 8.43 4.87 0.00 2.71 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 54 N 8.44 4.70 0.00 2.63 2.62 0.00 0.00 6.63 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 55 P 0.00 3.95 0.00 2.00 1.34 0.00 3.81 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 2.01 2.08 0.00 56 D 8.46 4.62 0.00 2.53 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.88 4.44 0.00 1.88 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 2.12 2.19 0.00 58 T 7.87 4.21 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 1.16 0.00 0.00 59 P 0.00 4.19 0.00 2.13 1.94 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 60 A 8.75 3.79 1.21 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 0.00 0.00 61 E 8.13 4.02 0.00 1.94 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 2.31 0.00 62 K 7.77 4.50 0.00 1.69 1.81 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.37 7.81 63 L 7.72 4.32 0.00 1.58 1.23 -0.02 0.17 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 64 R 9.36 5.43 0.00 2.02 1.79 0.00 3.07 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 65 C 8.93 5.25 0.00 2.49 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 66 D 8.91 5.40 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 4.32 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 0.57 0.00 0.00 68 V 8.76 4.87 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 0.58 0.00 0.00 0.88 0.00 0.00 69 V 8.39 4.65 1.58 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 -0.23 0.00 0.00 0.80 0.00 0.00 70 T 8.46 4.52 4.11 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 1.10 0.00 0.00 71 V 8.09 4.60 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 -0.01 0.00 0.00 0.42 0.00 0.00 72 P 0.00 4.16 0.00 0.89 1.18 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 73 G 8.34 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 6.98 4.53 0.00 3.07 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 75 F 7.66 4.01 0.00 2.94 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 76 T 7.55 4.22 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 1.09 0.00 0.00 77 L 8.20 3.87 0.00 1.64 1.59 1.24 1.03 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 78 P 0.00 4.39 0.00 2.16 1.94 0.00 4.11 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 1.96 2.00 0.00 79 E 8.54 4.05 0.00 1.97 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 2.32 2.33 0.00 80 N 8.61 4.21 0.00 2.91 2.91 0.00 0.00 6.75 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 81 S 7.37 5.06 0.00 3.95 3.82 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 82 E 7.95 3.99 0.00 2.08 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 2.33 2.36 0.00 83 G 8.75 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 84 V 6.90 3.32 1.59 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 -0.41 0.00 0.00 -0.37 0.00 0.00 85 I 8.08 4.20 1.72 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 1.01 0.43 0.77 0.00 0.00 86 L 8.10 4.93 0.00 1.57 1.53 1.05 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.54 4.51 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 1.16 0.00 0.00 88 E 8.72 5.19 0.00 1.81 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 2.16 2.28 0.00 89 I 8.36 4.51 1.49 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.43 0.47 0.00 0.00 90 T 8.75 4.27 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 1.27 0.00 0.00 91 G 8.99 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 92 G 8.16 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 0.00 0.00 0.00 93 Q 8.39 4.92 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 94 Y 9.12 5.24 0.00 3.09 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 95 A 9.29 4.75 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.97 4.68 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 0.37 0.00 0.00 0.70 0.00 0.00 97 A 8.15 4.58 -0.16 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 98 V 7.98 4.66 1.93 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 0.79 0.00 0.00 0.76 0.00 0.00 99 A 8.74 4.62 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 4.89 0.00 1.71 1.70 0.00 2.96 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 101 V 9.07 4.09 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 0.17 0.00 0.00 0.64 0.00 0.00 102 V 8.25 4.34 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 0.88 0.00 0.00 0.92 0.00 0.00 103 G 8.66 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 0.00 0.00 0.00 104 D 8.76 5.14 0.00 2.74 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 0.00 105 D 7.70 4.70 0.00 2.63 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 0.00 106 F 8.40 4.19 0.00 3.10 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 0.00 107 A 8.10 4.22 1.06 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 0.00 0.00 108 K 7.95 3.65 0.00 2.12 1.77 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 109 P 0.00 4.16 0.00 1.99 2.13 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.90 0.00 110 W 8.00 4.15 0.00 3.60 3.38 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 0.00 111 Y 8.27 4.69 0.00 3.24 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 0.00 112 Q 8.57 4.15 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 113 F 8.52 4.41 0.00 2.91 2.84 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 0.00 0.00 0.00 0.00 114 F 8.40 4.25 0.00 3.26 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 0.00 115 N 8.34 4.42 0.00 2.84 2.98 0.00 0.00 7.32 7.07 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 0.00 116 S 8.28 4.43 0.00 4.36 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 0.00 117 L 8.34 3.96 0.00 1.47 1.67 0.42 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.97 4.11 0.00 1.91 1.89 0.93 0.66 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 0.00 119 Q 7.62 4.46 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 120 D 7.69 4.58 0.00 3.01 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 0.00 121 S 8.83 4.46 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.08 4.58 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 0.00 123 Y 8.47 5.32 0.00 2.87 2.88 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 0.00 124 E 9.09 4.88 0.00 2.00 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 2.38 2.27 0.00 125 M 8.69 4.76 0.00 1.93 2.03 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 2.60 2.55 0.00 126 L 8.41 4.64 0.00 1.49 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.64 0.00 2.20 2.10 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 128 K 7.37 4.79 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.42 7.81 129 P 0.00 4.67 0.00 1.69 1.67 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 130 C 8.45 5.33 0.00 3.46 3.27 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 0.00 131 F 8.75 5.82 0.00 3.32 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 E 9.66 5.32 0.00 1.88 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 2.53 1.78 0.00 133 V 8.88 4.88 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.20 0.00 0.00 134 Y 9.05 4.75 0.00 3.06 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 0.00 135 L 8.90 4.42 0.00 1.74 1.80 0.93 1.00 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 0.00 136 N 8.05 4.91 0.00 2.71 2.73 0.00 0.00 5.91 8.04 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 0.00 137 N 7.99 4.10 0.00 2.47 2.45 0.00 0.00 6.76 7.93 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 0.00 138 G 5.38 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 0.00 139 A 6.62 4.14 1.31 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 0.00 0.00 140 E 7.52 4.45 0.00 1.71 1.81 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 2.10 2.21 0.00 141 D 7.53 4.15 0.00 1.67 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 0.00 142 G 9.38 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 0.00 143 Y 6.46 5.05 0.00 3.02 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 0.00 144 W 9.40 5.08 0.00 3.34 3.42 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 0.00 145 D 10.13 5.42 0.00 2.77 2.64 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 0.00 146 I 8.91 5.01 1.62 0.00 0.00 0.60 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 0.62 1.01 0.00 0.00 147 E 8.76 4.74 0.00 2.00 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 1.83 1.99 0.00 148 M 8.44 4.67 0.00 1.14 1.40 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.81 0.00 149 Y 9.06 5.09 0.00 1.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.89 4.85 1.78 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 0.88 0.00 0.00 0.64 0.00 0.00 151 A 8.84 3.97 1.05 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 0.00 0.00 152 V 8.17 5.16 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 0.72 0.00 0.00 0.83 0.00 0.00 153 Q 8.95 4.81 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 154 P 0.00 4.28 0.00 1.85 1.74 0.00 3.69 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 2.01 2.04 0.00 155 K 8.50 4.28 0.00 1.65 1.69 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.27 7.81