NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3201 8.2493 123.5827 51.8308 20.0655 177.2628 4 T 3.9095 8.1625 112.5879 61.3816 70.6970 173.8420 5 T 3.8394 9.2889 120.2485 67.2706 68.8957 177.9979 6 T 3.8472 7.8588 116.8954 66.6329 68.5339 176.2350 7 L 3.9644 7.9466 122.0631 58.0945 42.1253 179.0180 8 K 3.9571 8.3209 118.6964 59.6657 31.9089 179.1650 9 E 4.0307 8.6140 119.1179 59.4322 29.3091 179.4913 10 Q 3.9856 8.1787 118.3466 58.7439 28.7373 178.7580 11 V 3.6498 8.0068 119.4024 66.0792 31.5865 178.0232 12 L 4.0304 7.9409 118.6815 58.2167 41.4231 179.6914 13 T 3.9224 8.2077 116.1405 66.7204 68.3149 176.7768 14 T 3.9050 8.0549 111.8064 64.9059 68.7289 176.6095 15 L 4.2725 8.0193 123.2655 56.7867 41.5365 179.6182 16 K 3.9801 8.1015 118.5335 59.4325 31.9519 179.3516 17 R 3.9016 7.9863 118.8785 59.5388 30.0535 178.4009 18 E 4.0131 8.6671 118.8257 59.3724 29.4640 179.1184 19 Q 3.9817 8.6607 119.7793 59.2439 29.1729 178.1879 20 A 4.3301 8.3722 121.9447 55.3854 18.4472 179.2625 21 N 4.2913 8.6849 115.1612 56.4489 38.5319 177.4317 22 A 4.0936 8.2200 122.1287 55.0544 18.4404 179.8465 23 V 3.4456 7.7477 116.6989 66.2058 31.5966 178.4940 24 V 3.5374 7.8828 117.9854 66.1473 31.3396 177.5730 25 M 3.9605 8.5879 118.3970 58.6353 32.0650 177.5266 26 Y 4.2060 8.3347 119.8096 60.8914 39.0797 178.1072 27 L 3.5821 8.0194 119.8287 57.5634 41.6653 179.1595 28 N 3.7170 8.2231 116.7851 56.4786 38.4383 176.9376 29 Y 3.7349 7.4609 117.7778 60.8376 37.7828 178.9986 30 K 3.0186 7.2519 119.2814 58.6368 31.8114 179.0818 31 K 3.8543 7.1630 119.7863 59.8139 32.0419 178.3844 32 Y 3.9332 6.9183 116.6292 61.0988 37.3533 177.6502 33 H 4.2104 7.9894 118.3278 59.5748 29.9169 176.8911 34 W 4.6877 8.0681 119.1373 59.0652 29.0815 177.7118 35 L 4.7252 8.1092 115.9875 53.9547 42.1228 176.8981 36 T 4.2133 7.5123 114.3303 62.6380 68.1282 172.1719 37 Y 4.8459 8.0571 122.5930 56.6368 40.7931 173.9254 38 G 4.0951 8.8571 106.2189 44.0370 0.0000 172.3376 39 P 4.4526 0.0000 0.0000 64.5221 31.4124 177.3718 40 L 4.5736 7.7808 117.8869 54.6368 42.1081 177.7237 41 F 4.0926 8.3187 123.0490 61.6575 39.1062 177.2537 42 R 3.6694 8.0677 117.3217 59.3845 29.9770 177.5851 43 D 4.2865 8.0565 117.2467 57.5925 41.1276 178.2192 44 L 3.4164 7.9336 119.3787 57.4382 41.6379 178.5359 45 H 3.9710 8.2578 118.6203 59.4338 29.5884 177.2312 46 L 3.8670 7.8800 120.3905 57.5363 41.3954 178.8864 47 L 3.8562 7.7027 120.3762 58.4966 41.8917 179.1915 48 F 4.4737 7.9013 117.6710 60.5107 38.7226 177.3981 49 E 3.6728 7.9966 118.5379 59.0571 29.3370 178.7149 50 E 3.8041 8.3634 118.9540 59.6322 29.1863 179.4877 51 Q 3.6500 7.9491 118.3687 58.4684 28.6073 178.7686 52 G 3.4973 7.2434 106.7470 48.0184 0.0000 175.9024 53 S 4.3009 8.3102 117.8120 61.2938 62.5446 176.7026 54 E 4.0200 7.7654 120.4732 59.2189 29.5059 179.1352 55 V 3.7779 8.0076 118.4173 65.8297 31.6347 177.5454 56 F 3.6911 8.7410 120.7205 61.4844 38.6891 177.0357 57 A 3.8920 7.9504 119.3797 55.4108 17.9885 179.4932 58 M 3.7669 7.9232 117.1413 58.0361 31.8955 178.7845 59 I 3.5624 7.3606 120.4584 64.5927 37.2087 177.8651 60 D 4.2268 7.6376 118.0266 57.1414 41.1193 177.8624 61 E 3.8869 7.5954 118.8711 59.5147 29.2796 179.4201 62 L 3.9686 7.9317 117.6351 57.4254 41.5765 179.1780 63 A 4.1330 8.1114 120.8611 55.3519 18.4469 179.6140 64 E 3.9730 8.4699 117.0381 58.8959 29.3116 179.3811 65 R 3.8448 7.8632 119.3196 59.4584 29.9833 178.5149 66 S 4.1438 7.7353 114.4033 61.7804 62.8607 176.7789 67 L 4.2362 7.7528 122.2890 57.5622 41.2123 179.2308 68 M 4.2537 8.1009 117.2385 57.1487 31.8480 177.6118 69 L 4.5326 7.1110 117.8452 53.8604 42.1286 176.0508 70 D 4.4762 7.9029 116.9258 55.2465 38.5428 173.8913 71 G 4.4096 7.9916 110.6585 43.8382 0.0000 172.7197 72 Q 4.5596 8.2483 116.9210 53.2316 32.1036 173.6473 73 P 4.5713 0.0000 0.0000 61.4959 32.6535 175.9781 74 V 3.5822 8.0347 118.0573 63.2286 31.8791 174.8719 75 A 4.5472 8.0183 125.2445 53.4799 23.5076 176.5689 76 D 4.4601 7.8466 116.6819 53.5620 41.1318 175.2900 77 P 4.6079 0.0000 0.0000 65.9526 31.1150 178.3081 78 A 4.1289 7.9523 117.5453 54.5309 18.7421 178.5619 79 D 4.4336 8.2946 117.8112 56.5602 40.8815 178.2780 80 Y 4.2207 7.4644 117.4984 61.2901 37.7711 178.6322 81 L 4.1598 7.9668 116.7291 56.7796 41.9534 178.8114 82 K 4.1834 7.7694 117.5168 58.0249 32.1749 177.7290 83 V 4.0562 7.4857 116.9045 63.7215 32.8955 176.1268 84 A 4.2146 8.1662 122.5252 52.4605 18.6113 177.0991 85 T 4.4355 8.2439 110.2781 61.9034 70.4354 175.7463 86 V 3.7746 7.5318 115.1545 61.3120 32.1804 175.7012 87 T 4.1470 8.2610 120.0682 62.2952 68.6597 173.0948 88 P 4.3451 0.0000 0.0000 62.1468 32.1218 176.2746 89 S 4.2245 8.4138 116.7463 58.3511 62.9879 173.1703 90 S 4.4002 8.2442 120.5713 57.5553 64.8043 174.5432 91 G 3.9320 8.8509 114.8146 44.6110 0.0000 172.3191 92 Q 4.2202 8.3266 117.6829 55.6350 29.1570 176.1150 93 L 5.0481 8.2183 121.8549 52.3500 45.5548 177.0872 94 T 5.0483 8.7472 114.0282 60.8247 70.9615 176.0692 95 V 3.4448 8.0810 120.8551 65.9921 31.4260 177.8386 96 K 3.8491 8.0138 118.7746 59.8349 31.9159 178.4954 97 Q 4.0914 8.1068 118.0809 59.1292 28.5003 178.6705 98 M 3.4508 8.0007 119.7050 58.2850 31.8381 178.9232 99 I 3.6194 7.5509 119.7206 64.3467 37.2875 178.3607 100 E 3.9371 8.2924 119.5957 59.3010 29.2304 179.0621 101 E 3.8767 8.3519 119.3175 59.1570 29.7190 178.6220 102 A 3.9255 7.9643 120.9488 55.2222 18.4119 179.5804 103 I 3.7235 8.0223 118.1500 64.5368 37.2483 178.3605 104 A 4.0219 8.0421 121.4182 55.4169 18.1473 179.4639 105 N 4.2953 8.3468 114.8841 56.8111 38.6205 177.3382 106 H 4.2500 8.6836 117.9942 59.0372 28.8067 177.6960 107 E 4.0568 8.7537 120.7732 59.1788 29.1884 179.1044 108 L 3.9426 8.0512 120.3146 58.3322 42.2002 179.1212 109 I 3.6492 7.9269 119.7456 64.3650 36.9893 178.4511 110 I 3.7289 8.2283 120.9829 64.6921 36.9745 178.4963 111 T 3.8472 8.0107 116.4102 66.8578 68.3111 176.5032 112 E 3.9223 8.3781 120.5254 59.7200 29.3888 179.4203 113 M 3.7472 8.4538 119.1062 58.3756 32.0262 178.6133 114 H 4.0696 8.1872 116.4836 58.8074 28.9248 177.5419 115 Q 3.9323 8.0098 121.2966 59.4840 28.8440 178.2187 116 D 4.2614 8.5466 119.8711 56.9955 40.6056 178.6159 117 A 4.1843 8.0780 121.7076 55.1310 18.3037 179.4535 118 E 3.9205 8.1090 116.8780 59.6212 29.5463 179.6834 119 I 3.6776 7.8202 119.4698 64.3827 37.1387 178.3005 120 A 4.0573 8.2821 121.6914 55.5746 18.1961 179.8428 121 T 3.8149 8.1989 114.3097 66.7679 68.3106 176.4772 122 E 3.9402 8.2582 120.0867 59.1298 29.7366 178.0829 123 A 4.2798 7.8405 118.3925 52.1913 18.6746 178.1908 124 G 3.8383 7.8506 105.2484 46.3508 0.0000 175.3212 125 D 4.6387 8.0115 121.9216 52.5981 38.7090 176.5031 126 I 3.8712 7.7979 118.4073 63.2857 37.9360 178.5777 127 G 3.5124 7.9559 107.0699 48.0209 0.0000 175.7477 128 T 3.6539 8.0823 118.3530 65.9882 68.4030 176.5979 129 A 4.1290 8.0106 122.7681 55.3176 18.3235 179.1612 130 D 4.2395 8.2710 116.5182 57.2509 41.2059 178.0220 131 L 3.8478 7.9366 120.9125 58.5991 41.8297 178.6303 132 Y 4.3624 7.6657 116.3848 61.4994 37.5511 178.8168 133 T 3.9776 7.9112 115.8260 66.4885 68.6571 176.5073 134 R 4.0373 8.3825 120.9215 59.5623 30.1304 178.5870 135 L 4.0521 8.2406 119.3156 57.7204 41.4995 179.8946 136 V 3.7816 8.1717 119.2648 64.9271 31.1536 178.5248 137 Q 4.3823 7.8330 120.1188 58.5429 28.3987 178.7990 138 T 3.7987 7.8426 116.4122 66.9129 68.4830 176.2587 139 H 4.1275 8.0225 117.9087 59.0226 28.6004 177.9042 140 Q 4.0897 8.5514 120.2072 58.6650 28.4930 178.7678 141 K 4.3509 8.3501 120.7681 60.0103 32.3438 178.4390 142 H 4.4450 8.2948 118.0119 58.3270 28.5478 177.7136 143 R 3.9946 8.3889 120.5992 59.1071 29.9402 178.1519 144 W 4.4378 8.4305 128.1339 60.7518 30.5197 177.5984 145 F 3.3494 8.2489 116.1021 60.5918 38.5559 177.5027 146 L 4.3313 8.2764 118.2183 57.8865 41.4645 179.6307 147 K 4.0301 8.4728 118.6045 59.7011 32.0435 179.1197 148 E 3.9652 8.2391 118.7373 59.4651 29.0953 179.4208 149 F 4.0252 7.9485 116.7430 59.7517 39.0081 176.6905 150 L 4.3852 7.7069 116.3391 54.2191 42.2162 176.9017 151 A 4.1975 7.1577 122.2867 51.8261 18.9279 176.6030 152 K 4.5700 8.1840 119.1168 55.3619 35.4669 175.8564 153 G 3.8649 8.5758 105.2433 46.8766 0.0000 174.9090 154 D 4.3008 7.9555 121.4042 54.2570 39.6333 177.5113 155 G 3.9768 8.2341 107.7583 45.1962 0.0000 173.5151 156 L 4.5414 8.8688 118.2760 55.9396 43.1848 177.8508 157 V 4.5047 7.9558 105.9383 60.5263 34.1850 175.6364 158 S 4.1693 7.9508 120.2526 58.5540 62.8483 173.7296 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 3 A 8.25 4.32 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 4 T 8.16 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 T 9.29 3.84 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 T 7.86 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 L 7.95 3.96 0.00 1.78 1.81 0.93 0.65 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 8 K 8.32 3.96 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.66 7.81 9 E 8.61 4.03 0.00 2.15 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 2.50 0.00 10 Q 8.18 3.99 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 11 V 8.01 3.65 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 1.11 0.00 0.00 1.01 0.00 0.00 12 L 7.94 4.03 0.00 1.94 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.21 3.92 4.39 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 1.22 0.00 0.00 14 T 8.05 3.90 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 15 L 8.02 4.27 0.00 1.92 1.79 0.92 0.70 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 16 K 8.10 3.98 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 17 R 7.99 3.90 0.00 1.91 2.09 0.00 3.41 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 18 E 8.67 4.01 0.00 2.22 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 2.60 0.00 19 Q 8.66 3.98 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 20 A 8.37 4.33 1.55 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 21 N 8.68 4.29 0.00 2.97 2.91 0.00 0.00 6.91 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 22 A 8.22 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.45 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 0.48 0.00 0.00 0.58 0.00 0.00 24 V 7.88 3.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.99 0.00 0.00 25 M 8.59 3.96 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 26 Y 8.33 4.21 0.00 3.23 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 27 L 8.02 3.58 0.00 1.76 1.58 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.22 3.72 0.00 2.52 2.13 0.00 0.00 7.01 7.27 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 29 Y 7.46 3.73 0.00 3.01 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.25 3.02 0.00 0.90 0.74 0.00 1.03 0.00 0.00 1.12 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.79 7.81 31 K 7.16 3.85 0.00 1.66 1.51 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.55 7.81 32 Y 6.92 3.93 0.00 1.83 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 33 H 7.99 4.21 0.00 2.96 3.08 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.07 4.69 0.00 3.48 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 35 L 8.11 4.73 0.00 1.83 1.86 1.02 1.18 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 36 T 7.51 4.21 4.71 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 1.42 0.00 0.00 37 Y 8.06 4.85 0.00 3.27 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 38 G 8.86 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 0.00 0.00 0.00 39 P 0.00 4.45 0.00 2.09 2.16 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 40 L 7.78 4.57 0.00 1.70 1.69 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.32 4.09 0.00 3.35 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 42 R 8.07 3.67 0.00 2.03 1.95 0.00 3.30 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 43 D 8.06 4.29 0.00 2.84 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 44 L 7.93 3.42 0.00 1.61 1.25 0.72 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.26 3.97 0.00 2.14 3.05 0.00 5.78 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 46 L 7.88 3.87 0.00 1.80 1.63 0.91 0.33 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 47 L 7.70 3.86 0.00 1.59 1.17 1.06 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.90 4.47 0.00 3.13 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 49 E 8.00 3.67 0.00 1.84 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 2.15 2.24 0.00 50 E 8.36 3.80 0.00 1.95 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 2.24 2.34 0.00 51 Q 7.95 3.65 0.00 1.25 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 1.92 2.24 0.00 52 G 7.24 3.50 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 0.00 53 S 8.31 4.30 0.00 3.98 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 54 E 7.77 4.02 0.00 2.09 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 2.32 2.44 0.00 55 V 8.01 3.78 2.43 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 1.21 0.00 0.00 1.23 0.00 0.00 56 F 8.74 3.69 0.00 2.57 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 57 A 7.95 3.89 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 58 M 7.92 3.77 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.58 0.00 59 I 7.36 3.56 1.45 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.47 0.75 0.00 0.00 60 D 7.64 4.23 0.00 2.51 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 61 E 7.60 3.89 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 62 L 7.93 3.97 0.00 1.66 1.75 1.03 1.13 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 63 A 8.11 4.13 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 64 E 8.47 3.97 0.00 2.04 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 2.30 2.47 0.00 65 R 7.86 3.84 0.00 2.03 2.00 0.00 3.08 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 66 S 7.74 4.14 0.00 4.10 3.90 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 67 L 7.75 4.24 0.00 1.83 1.70 0.91 1.16 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 68 M 8.10 4.25 0.00 1.97 2.24 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 2.78 2.55 0.00 69 L 7.11 4.53 0.00 1.72 1.66 0.95 1.04 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 70 D 7.90 4.48 0.00 2.85 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 71 G 7.99 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.25 4.56 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 73 P 0.00 4.57 0.00 2.19 2.28 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 74 V 8.03 3.58 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 0.18 0.00 0.00 0.94 0.00 0.00 75 A 8.02 4.55 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 76 D 7.85 4.46 0.00 2.82 2.58 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 0.00 0.00 0.00 0.00 77 P 0.00 4.61 0.00 2.23 2.26 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 78 A 7.95 4.13 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 79 D 8.29 4.43 0.00 2.60 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 80 Y 7.46 4.22 0.00 3.05 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 81 L 7.97 4.16 0.00 1.65 1.76 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.77 4.18 0.00 1.93 1.86 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 83 V 7.49 4.06 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 0.84 0.00 0.00 0.91 0.00 0.00 84 A 8.17 4.21 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 85 T 8.24 4.44 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 1.22 0.00 0.00 86 V 7.53 3.77 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 0.72 0.00 0.00 0.98 0.00 0.00 87 T 8.26 4.15 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 1.22 0.00 0.00 88 P 0.00 4.35 0.00 2.17 2.05 0.00 3.77 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 1.99 1.96 0.00 89 S 8.41 4.22 0.00 3.84 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 90 S 8.24 4.40 0.00 3.81 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 91 G 8.85 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 92 Q 8.33 4.22 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 93 L 8.22 5.05 0.00 1.62 1.53 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.75 5.05 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 1.34 0.00 0.00 95 V 8.08 3.44 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 0.95 0.00 0.00 0.32 0.00 0.00 96 K 8.01 3.85 0.00 1.86 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.55 7.81 97 Q 8.11 4.09 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 98 M 8.00 3.45 0.00 0.80 1.89 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.35 0.00 99 I 7.55 3.62 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.96 0.00 0.00 100 E 8.29 3.94 0.00 2.11 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 2.33 2.47 0.00 101 E 8.35 3.88 0.00 2.05 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 2.36 2.34 0.00 102 A 7.96 3.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.02 3.72 2.05 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 1.56 0.75 0.98 0.00 0.00 104 A 8.04 4.02 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 0.00 105 N 8.35 4.30 0.00 2.94 2.83 0.00 0.00 7.08 7.75 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 0.00 106 H 8.68 4.25 0.00 3.45 3.46 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 0.00 107 E 8.75 4.06 0.00 2.22 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 2.39 2.50 0.00 108 L 8.05 3.94 0.00 1.77 1.86 0.97 0.84 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 0.00 109 I 7.93 3.65 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.49 0.68 0.00 0.00 110 I 8.23 3.73 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 1.01 0.00 0.00 111 T 8.01 3.85 4.40 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 1.20 0.00 0.00 112 E 8.38 3.92 0.00 2.07 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 2.53 0.00 113 M 8.45 3.75 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 114 H 8.19 4.07 0.00 3.38 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.01 3.93 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 116 D 8.55 4.26 0.00 1.69 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 0.00 0.00 0.00 117 A 8.08 4.18 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 0.00 118 E 8.11 3.92 0.00 2.29 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 2.34 2.59 0.00 119 I 7.82 3.68 2.02 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 1.46 0.75 0.93 0.00 0.00 120 A 8.28 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.20 3.81 4.42 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 1.23 0.00 0.00 122 E 8.26 3.94 0.00 2.01 2.21 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 2.33 2.39 0.00 123 A 7.84 4.28 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 0.00 124 G 7.85 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 0.00 125 D 8.01 4.64 0.00 2.72 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 0.00 126 I 7.80 3.87 1.87 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 1.57 0.44 0.91 0.00 0.00 127 G 7.96 3.51 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 0.00 0.00 0.00 128 T 8.08 3.65 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 1.04 0.00 0.00 129 A 8.01 4.13 1.48 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 0.00 130 D 8.27 4.24 0.00 2.88 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 0.00 131 L 7.94 3.85 0.00 1.71 1.51 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.67 4.36 0.00 3.25 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 0.00 133 T 7.91 3.98 4.42 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 1.22 0.00 0.00 134 R 8.38 4.04 0.00 1.85 2.04 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 135 L 8.24 4.05 0.00 1.83 1.81 0.95 1.23 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 0.00 136 V 8.17 3.78 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 0.98 0.00 0.00 0.95 0.00 0.00 137 Q 7.83 4.38 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 138 T 7.84 3.80 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 0.98 0.00 0.00 139 H 8.02 4.13 0.00 3.37 3.46 0.00 5.62 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 0.00 140 Q 8.55 4.09 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 141 K 8.35 4.35 0.00 1.96 1.98 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.91 7.81 142 H 8.29 4.44 0.00 3.17 3.26 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 0.00 143 R 8.39 3.99 0.00 1.97 2.26 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 144 W 8.43 4.44 0.00 3.48 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 0.00 145 F 8.25 3.35 0.00 3.06 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 0.00 146 L 8.28 4.33 0.00 1.99 1.83 1.19 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.47 4.03 0.00 2.16 1.97 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.72 7.81 148 E 8.24 3.97 0.00 1.81 1.70 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 2.38 2.14 0.00 149 F 7.95 4.03 0.00 3.09 3.08 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 0.00 150 L 7.71 4.39 0.00 1.87 1.74 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.16 4.20 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 0.00 152 K 8.18 4.57 0.00 1.71 1.72 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.39 7.81 153 G 8.58 3.86 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 0.00 0.00 0.00 154 D 7.96 4.30 0.00 2.76 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 0.00 155 G 8.23 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 0.00 156 L 8.87 4.54 0.00 1.66 1.68 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.96 4.50 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 0.76 0.00 0.00 0.95 0.00 0.00 158 S 7.95 4.17 0.00 3.93 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