NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2662 8.1633 120.3021 54.7005 33.3402 174.3885 2 K 4.0476 7.8807 125.9830 55.7302 32.6490 175.4825 3 G 3.9786 8.5018 113.1648 44.4947 0.0000 171.9496 4 D 4.6116 8.3694 119.2299 53.5724 41.9209 177.0377 5 K 3.8809 8.9904 126.4348 59.9980 32.1244 179.0406 6 I 3.6447 7.7149 119.3714 63.9443 36.8464 178.5529 7 V 3.7460 8.0552 118.7483 66.3211 31.5303 177.9501 8 I 3.6814 7.7976 119.4392 64.3554 36.8495 178.3053 9 Q 3.8921 7.7570 120.3226 59.4016 28.8846 177.8897 10 H 4.0893 8.2699 117.3101 58.8451 28.6871 177.5867 11 L 4.0042 8.2017 120.9870 58.1980 41.4603 179.5201 12 N 4.3144 8.2420 116.1276 55.9295 38.3855 177.3859 13 K 3.8866 7.9764 121.1488 59.7638 32.3383 179.0330 14 I 3.7943 7.9580 120.0661 64.1370 36.9577 178.2329 15 L 4.0796 8.3096 121.8880 57.9632 41.5740 179.2602 16 G 3.6114 8.4283 106.3017 47.6814 0.0000 175.5835 17 N 4.2580 7.9295 118.3311 56.2914 38.6721 177.4940 18 E 3.9992 8.3325 119.8773 59.2268 29.3137 179.4099 19 L 4.0219 7.9214 119.1859 57.4056 41.5507 179.5995 20 I 3.6555 7.2934 119.5809 64.1161 37.0840 178.0610 21 A 3.1329 7.5124 121.0960 54.9893 18.0188 179.2690 22 I 3.5111 7.4490 118.0506 64.9863 37.2364 178.2884 23 N 4.3164 7.7876 116.6450 56.2832 38.3495 177.3354 24 Q 3.9064 8.0672 120.8562 59.5769 29.1507 177.9509 25 Y 4.6495 8.3471 119.4462 60.5882 37.9034 178.3984 26 F 3.9877 8.6579 121.8765 61.0999 39.5235 176.9648 27 L 3.9868 8.2402 119.9499 58.6025 41.9760 178.6125 28 H 3.9989 8.5720 116.3119 58.6574 28.6010 177.6127 29 A 4.1509 8.3094 122.8462 55.4562 18.2952 179.9725 30 R 3.8515 7.8375 115.9267 58.9545 30.1148 179.2209 31 M 3.5231 7.5624 119.1596 58.0931 31.7407 178.2214 32 Y 4.2930 7.4889 116.8736 61.0075 38.1218 178.1068 33 E 3.9190 8.1180 120.2335 59.4900 29.5298 178.4825 34 D 4.3781 7.7785 116.6707 56.7159 41.3431 177.4243 35 W 4.8426 7.7784 117.0201 57.1357 29.2566 177.2023 36 G 3.9926 8.2676 108.0269 45.5053 0.0000 174.2010 37 L 4.8309 8.1184 122.1588 52.8616 40.6719 176.8391 38 E 3.9092 8.3129 122.8640 59.5924 30.0290 178.9151 39 K 3.8650 7.7596 118.6868 59.8244 32.1853 178.3293 40 L 3.9865 7.7891 119.7357 58.0036 42.0473 179.0370 41 G 3.7205 8.5214 106.0863 47.7742 0.0000 175.5345 42 K 3.8860 8.4138 122.6050 59.3610 32.2249 178.4672 43 H 3.8145 8.0067 118.0862 59.0781 29.4314 177.0428 44 E 3.8664 8.1443 120.4478 59.4644 29.2663 178.4773 45 Y 4.0715 8.0144 119.4545 61.3684 38.8151 178.2752 46 H 4.1191 7.9624 116.4332 58.8143 28.7255 177.7442 47 E 3.9883 8.0095 120.4048 59.0391 29.2627 179.3521 48 S 4.1902 8.1663 113.5446 61.5060 62.5563 176.2415 49 I 3.5900 7.6500 122.5776 64.3086 36.7778 177.9700 50 D 4.2653 8.3755 120.1218 57.6648 40.6187 178.9789 51 E 3.9628 8.1513 118.7301 59.4841 29.3774 179.3678 52 M 4.0060 7.8059 118.7006 58.3708 32.1042 178.9660 53 K 4.0324 8.1253 118.5988 59.4743 32.1614 179.2710 54 H 4.2260 8.1558 116.4113 58.9033 28.6852 177.4751 55 A 4.0039 8.2021 122.7545 55.2985 18.1633 179.0376 56 D 4.2714 8.1330 116.3054 57.6082 41.3018 178.7696 57 K 4.0168 7.9973 118.6322 59.3990 31.9670 179.4052 58 L 4.0182 8.0797 119.2781 57.6925 41.5207 179.3325 59 I 3.6933 8.1413 120.1841 64.4776 37.1383 178.4705 60 K 3.9468 8.0840 118.8605 59.5197 31.9681 179.1626 61 R 4.0247 8.0003 118.8094 59.6482 29.9676 178.4134 62 I 3.7119 7.9505 119.3280 64.5363 37.0977 178.2683 63 L 4.0132 8.0702 119.6972 57.9639 41.2458 179.4476 64 F 4.3617 8.1649 119.3383 61.2154 39.6530 176.3640 65 L 4.2228 7.8419 117.4076 53.5029 41.4363 176.6990 66 E 3.8209 8.4483 118.5130 57.7710 27.1661 174.0988 67 G 4.0057 7.9514 106.0255 43.6890 0.0000 173.2448 68 L 4.5119 8.0622 118.9453 51.9411 42.2924 175.2959 69 P 4.2339 0.0000 0.0000 62.9970 31.6295 175.7710 70 N 4.6659 9.1174 122.5919 52.4094 38.2798 174.2414 71 L 4.5136 8.1227 124.9100 54.7597 43.1712 178.1124 72 Q 4.0448 8.1815 119.7167 58.9409 29.1992 176.1690 73 E 4.1676 8.3373 116.9155 55.5850 30.0658 175.9513 74 L 4.5293 8.2858 124.8052 52.7919 44.0880 176.3769 75 G 3.8208 8.4454 115.7357 44.7867 0.0000 171.4587 76 K 4.1684 8.2930 120.5529 55.5739 32.6544 176.5147 77 L 4.2501 8.3835 126.5552 54.5858 42.3473 177.4624 78 L 4.4965 8.1759 123.7044 53.4421 40.5435 174.9098 79 I 4.1995 7.8713 122.6513 60.1277 38.3615 176.4380 80 G 4.0723 8.6713 113.8048 44.6056 0.0000 172.7414 81 E 4.8398 8.4906 116.4883 55.9271 31.7471 176.6457 82 H 5.0209 7.7760 113.3775 52.9929 32.8391 173.8731 83 T 4.2698 8.8229 119.0301 67.3407 68.5069 176.2604 84 K 3.8695 8.2674 120.4674 59.7097 32.2033 178.2088 85 E 3.9398 7.8764 118.9458 59.4733 29.7337 178.4744 86 M 4.0413 8.3532 119.0779 58.1990 31.8669 178.8224 87 L 4.0944 8.2156 119.2761 57.9882 41.8339 179.4365 88 E 3.9979 8.1166 117.9472 59.3385 29.2868 179.3557 89 C 4.2134 8.2670 117.1073 62.8184 28.2467 175.7411 90 D 4.7188 8.1364 120.2661 57.2775 40.3964 178.4419 91 L 3.9345 8.1150 120.9047 58.2329 42.1911 178.7931 92 K 4.1434 8.1923 120.8355 58.7940 31.6174 178.3611 93 L 3.9894 8.0893 120.4208 58.3450 41.8780 178.8096 94 E 4.1006 8.2350 117.1755 59.6856 29.1609 179.1840 95 Q 4.1550 8.4512 117.8956 58.7310 28.5201 178.5035 96 A 4.2195 8.0137 121.1925 54.2441 18.5957 178.8820 97 G 3.8909 7.7510 102.1480 45.0903 0.0000 175.6639 98 L 4.0340 7.5861 123.0096 57.6885 42.2280 177.0824 99 P 4.3498 0.0000 0.0000 65.7806 31.2865 178.1492 100 D 4.3764 8.0441 118.5174 57.1436 40.7506 178.4282 101 L 4.0124 7.6975 119.5950 57.8771 41.6800 179.8119 102 K 3.9990 8.0165 117.7281 59.1395 31.8975 179.3836 103 A 3.9958 8.1102 121.1214 55.0142 18.3131 179.5956 104 A 3.6354 8.0244 119.2599 55.2861 18.5007 179.7618 105 I 3.6502 7.9763 118.2976 64.4756 37.1598 178.4434 106 A 3.9678 8.1022 121.3714 55.3606 17.8145 178.9930 107 Y 3.9059 8.0912 117.9584 61.1339 38.9561 177.9312 108 C 3.9240 8.5447 117.9980 62.7547 28.1483 175.8336 109 E 3.8491 8.1271 120.9117 59.3064 29.1522 179.0065 110 S 4.2402 7.7215 112.0131 60.1897 62.9586 174.9961 111 V 3.9894 6.5897 113.4817 60.6549 32.1203 176.2171 112 G 3.1538 7.5550 107.1962 46.3105 0.0000 175.4911 113 D 4.4654 7.0370 121.0191 52.9883 37.9268 176.3255 114 Y 4.2113 7.1652 121.1073 60.5340 38.4915 177.6355 115 A 4.0615 8.0726 121.4386 55.3711 18.5779 179.6987 116 S 4.1231 8.2351 113.2057 61.6462 62.9036 176.7008 117 R 3.8841 7.9381 121.4713 59.2675 29.9525 177.9857 118 E 3.9184 8.7604 119.4351 59.2811 29.7462 178.3383 119 L 3.9316 7.8771 120.0796 58.4980 42.1704 178.9198 120 L 4.0232 8.0952 118.6316 57.8629 41.4784 179.5690 121 E 3.9851 8.3376 118.6097 59.6002 29.3164 179.1073 122 D 4.3996 8.0204 118.5497 57.3655 40.7744 179.0017 123 I 3.5666 7.6978 120.1721 64.1064 37.0723 177.9877 124 L 3.9504 8.0311 121.2381 58.3819 41.7514 179.0054 125 E 3.9879 8.2035 118.3697 59.3627 29.5147 179.2629 126 S 4.1292 7.8829 113.2815 61.5880 62.5311 176.0840 127 E 4.1457 8.4710 121.3143 59.5489 29.0477 179.2468 128 E 4.1282 8.2712 118.5977 59.2144 29.4882 179.0257 129 D 4.4800 7.9825 119.0718 57.2520 40.7942 178.2044 130 H 4.3590 8.2602 118.4481 59.5292 29.9479 177.2974 131 I 3.6979 7.8446 121.6188 64.4747 36.8264 177.9590 132 D 4.3231 7.9881 118.6501 56.9958 41.1236 177.9927 133 W 4.0389 8.3741 128.8792 60.5031 30.7564 177.9088 134 L 3.8303 8.4387 119.0796 57.9037 41.2139 179.3611 135 E 3.9173 8.2855 118.4788 59.5953 29.2407 179.6592 136 T 3.7396 7.9239 115.8277 66.6449 68.4951 176.6777 137 Q 3.6125 7.4628 119.8157 58.9136 28.5988 179.0627 138 L 3.7524 7.5170 119.7151 57.7328 41.4892 179.3938 139 D 4.2919 7.7585 118.6687 57.0608 40.7345 178.6867 140 L 3.9150 7.9842 119.8487 57.8097 41.5401 179.4978 141 I 3.5576 7.4291 119.6469 64.5722 36.7837 178.2186 142 D 4.2923 7.4558 117.9492 57.2757 40.6763 178.7335 143 K 4.1487 8.0691 118.5476 58.4724 32.2707 178.5155 144 I 4.2827 8.3015 111.1314 59.5150 39.2823 176.7000 145 G 3.9697 8.0202 108.6176 45.4819 0.0000 174.1727 146 L 3.9576 8.6803 123.2818 58.0729 42.1166 179.1401 147 E 3.9662 8.2535 117.8754 59.7559 29.4547 179.1595 148 N 4.3186 8.0864 115.5933 56.3808 38.5165 176.5427 149 Y 4.0469 7.9679 119.7816 60.9761 39.0437 178.1532 150 L 4.0625 8.3910 119.9817 57.7043 41.1227 179.3260 151 Q 3.9488 7.9458 119.6093 59.1150 28.7755 178.1568 152 S 4.2307 7.8732 114.9392 60.4013 63.1478 174.8551 153 Q 4.2403 7.2230 119.9453 55.9039 27.8463 177.2070 154 M 4.4882 6.9532 118.3175 56.4937 32.7039 176.3802 155 D 4.9557 7.6745 123.9161 54.0390 41.1594 176.6749 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 8.16 4.27 0.00 1.38 1.82 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 2 K 7.88 4.05 0.00 1.70 1.69 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.26 7.81 3 G 8.50 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 4 D 8.37 4.61 0.00 2.84 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 5 K 8.99 3.88 0.00 1.85 1.80 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 6 I 7.71 3.64 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.40 -0.01 0.00 0.00 7 V 8.06 3.75 2.31 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 1.27 0.00 0.00 1.10 0.00 0.00 8 I 7.80 3.68 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 1.40 0.88 0.90 0.00 0.00 9 Q 7.76 3.89 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 10 H 8.27 4.09 0.00 3.39 3.33 0.00 5.69 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 8.20 4.00 0.00 1.98 1.75 0.96 0.92 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 12 N 8.24 4.31 0.00 2.95 2.85 0.00 0.00 6.71 7.10 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 13 K 7.98 3.89 0.00 1.93 2.05 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.32 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.96 3.79 2.01 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 1.42 0.62 0.92 0.00 0.00 15 L 8.31 4.08 0.00 1.81 1.83 0.91 1.32 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 16 G 8.43 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.93 4.26 0.00 2.95 2.87 0.00 0.00 6.98 8.49 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 18 E 8.33 4.00 0.00 1.97 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 2.62 2.51 0.00 19 L 7.92 4.02 0.00 1.67 1.66 0.89 0.76 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 20 I 7.29 3.66 1.95 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 1.42 0.75 0.86 0.00 0.00 21 A 7.51 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.45 3.51 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.83 0.00 0.00 23 N 7.79 4.32 0.00 2.73 2.84 0.00 0.00 6.77 7.67 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 24 Q 8.07 3.91 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.78 2.33 0.00 25 Y 8.35 4.65 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.66 3.99 0.00 3.30 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 27 L 8.24 3.99 0.00 1.94 1.87 0.92 0.94 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 28 H 8.57 4.00 0.00 3.52 3.23 0.00 5.68 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 29 A 8.31 4.15 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 30 R 7.84 3.85 0.00 1.72 1.88 0.00 3.13 0.00 0.00 2.88 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.73 0.00 31 M 7.56 3.52 0.00 0.80 1.57 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.16 0.00 32 Y 7.49 4.29 0.00 3.20 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 33 E 8.12 3.92 0.00 2.18 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 2.25 2.28 0.00 34 D 7.78 4.38 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 35 W 7.78 4.84 0.00 3.69 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 36 G 8.27 3.99 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 0.00 0.00 0.00 37 L 8.12 4.83 0.00 2.06 1.66 0.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.31 3.91 0.00 2.21 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 2.33 2.35 0.00 39 K 7.76 3.86 0.00 1.83 1.92 0.00 1.52 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.51 7.81 40 L 7.79 3.99 0.00 1.52 1.01 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.52 3.72 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 0.00 0.00 0.00 42 K 8.41 3.89 0.00 2.03 1.72 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.52 7.81 43 H 8.01 3.81 0.00 3.09 2.98 0.00 5.65 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 44 E 8.14 3.87 0.00 2.32 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 0.00 2.52 3.01 0.00 45 Y 8.01 4.07 0.00 3.08 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 46 H 7.96 4.12 0.00 3.13 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.01 3.99 0.00 2.00 1.80 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 2.14 2.04 0.00 48 S 8.17 4.19 0.00 4.04 4.07 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 49 I 7.65 3.59 1.82 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 1.08 0.56 0.81 0.00 0.00 50 D 8.38 4.27 0.00 2.78 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 51 E 8.15 3.96 0.00 2.07 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 0.00 2.66 2.46 0.00 52 M 7.81 4.01 0.00 2.04 2.25 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 2.75 2.51 0.00 53 K 8.13 4.03 0.00 1.92 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.58 7.81 54 H 8.16 4.23 0.00 3.39 3.36 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 8.20 4.00 1.35 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 0.00 0.00 56 D 8.13 4.27 0.00 2.91 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 57 K 8.00 4.02 0.00 2.08 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 58 L 8.08 4.02 0.00 1.89 1.72 0.95 0.60 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 59 I 8.14 3.69 2.06 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 1.76 0.88 0.92 0.00 0.00 60 K 8.08 3.95 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.46 1.65 7.81 61 R 8.00 4.02 0.00 2.07 2.14 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 7.95 3.71 2.06 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 0.88 0.92 0.00 0.00 63 L 8.07 4.01 0.00 1.87 1.78 0.93 0.95 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 64 F 8.16 4.36 0.00 2.95 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.84 4.22 0.00 2.01 1.60 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.45 3.82 0.00 2.10 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 2.18 2.16 0.00 67 G 7.95 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 68 L 8.06 4.51 0.00 1.62 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.23 0.00 2.03 2.01 0.00 3.72 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 2.04 2.09 0.00 70 N 9.12 4.67 0.00 2.64 2.74 0.00 0.00 7.15 8.55 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 71 L 8.12 4.51 0.00 1.64 1.65 0.90 0.95 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 72 Q 8.18 4.04 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 73 E 8.34 4.17 0.00 1.99 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 2.32 2.22 0.00 74 L 8.29 4.53 0.00 1.52 1.50 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.45 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 0.00 0.00 0.00 76 K 8.29 4.17 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 L 8.38 4.25 0.00 1.65 1.57 0.90 0.99 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 78 L 8.18 4.50 0.00 1.86 1.68 1.03 0.89 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 79 I 7.87 4.20 1.90 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 1.34 0.34 0.96 0.00 0.00 80 G 8.67 4.07 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 0.00 81 E 8.49 4.84 0.00 2.14 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 2.31 2.27 0.00 82 H 7.78 5.02 0.00 3.23 3.28 0.00 5.49 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 83 T 8.82 4.27 4.46 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 1.52 0.00 0.00 84 K 8.27 3.87 0.00 1.86 1.92 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 85 E 7.88 3.94 0.00 1.78 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 2.35 2.38 0.00 86 M 8.35 4.04 0.00 1.83 2.27 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.15 0.00 87 L 8.22 4.09 0.00 1.93 1.69 1.19 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.12 4.00 0.00 2.19 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 2.43 0.00 89 C 8.27 4.21 0.00 3.26 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 90 D 8.14 4.72 0.00 2.89 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 91 L 8.12 3.93 0.00 1.83 1.84 0.93 0.52 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 92 K 8.19 4.14 0.00 2.04 2.02 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.35 7.81 93 L 8.09 3.99 0.00 2.13 2.00 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.24 4.10 0.00 2.22 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 2.70 2.53 0.00 95 Q 8.45 4.16 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 96 A 8.01 4.22 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 97 G 7.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.59 4.03 0.00 1.99 1.69 1.03 0.88 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 99 P 0.00 4.35 0.00 2.32 2.31 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 100 D 8.04 4.38 0.00 2.91 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 0.00 101 L 7.70 4.01 0.00 1.86 1.73 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.02 4.00 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.69 7.81 103 A 8.11 4.00 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 0.00 104 A 8.02 3.64 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 0.00 105 I 7.98 3.65 2.02 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 1.47 0.77 0.93 0.00 0.00 106 A 8.10 3.97 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 0.00 107 Y 8.09 3.91 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.54 3.92 0.00 3.12 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 0.00 109 E 8.13 3.85 0.00 2.24 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 2.35 2.41 0.00 110 S 7.72 4.24 0.00 3.96 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 0.00 111 V 6.59 3.99 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 0.12 0.00 0.00 0.69 0.00 0.00 112 G 7.56 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 0.00 0.00 0.00 113 D 7.04 4.47 0.00 2.69 2.44 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 0.00 114 Y 7.17 4.21 0.00 3.09 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 0.00 115 A 8.07 4.06 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 0.00 116 S 8.24 4.12 0.00 4.10 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 0.00 117 R 7.94 3.88 0.00 1.92 2.19 0.00 3.23 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 118 E 8.76 3.92 0.00 2.28 2.13 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 2.33 2.39 0.00 119 L 7.88 3.93 0.00 1.79 1.87 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.10 4.02 0.00 2.05 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.34 3.99 0.00 2.20 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 2.66 0.00 122 D 8.02 4.40 0.00 2.86 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 7.70 3.57 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.77 0.00 0.00 124 L 8.03 3.95 0.00 1.85 1.91 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.20 3.99 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 2.57 0.00 126 S 7.88 4.13 0.00 3.92 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 0.00 127 E 8.47 4.15 0.00 2.20 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 0.00 2.58 2.55 0.00 128 E 8.27 4.13 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 129 D 7.98 4.48 0.00 2.89 2.79 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 0.00 130 H 8.26 4.36 0.00 3.29 3.55 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 0.00 131 I 7.84 3.70 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.94 0.00 0.00 132 D 7.99 4.32 0.00 2.93 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 0.00 133 W 8.37 4.04 0.00 3.63 3.49 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 0.00 134 L 8.44 3.83 0.00 1.86 1.69 0.76 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.29 3.92 0.00 2.11 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 2.31 2.62 0.00 136 T 7.92 3.74 4.13 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 1.09 0.00 0.00 137 Q 7.46 3.61 0.00 1.56 1.63 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 1.16 1.16 0.00 138 L 7.52 3.75 0.00 1.72 1.60 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.76 4.29 0.00 2.79 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 0.00 140 L 7.98 3.92 0.00 1.82 1.73 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.43 3.56 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.08 0.80 0.00 0.00 142 D 7.46 4.29 0.00 2.73 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 0.00 143 K 8.07 4.15 0.00 1.70 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 144 I 8.30 4.28 1.89 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 1.82 0.69 0.92 0.00 0.00 145 G 8.02 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 0.00 146 L 8.68 3.96 0.00 1.76 1.69 0.96 0.95 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 8.25 3.97 0.00 2.10 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 2.40 2.47 0.00 148 N 8.09 4.32 0.00 3.02 2.88 0.00 0.00 6.67 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 7.97 4.05 0.00 2.89 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 0.00 150 L 8.39 4.06 0.00 1.94 1.71 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.95 3.95 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 S 7.87 4.23 0.00 3.80 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 0.00 153 Q 7.22 4.24 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.81 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 154 M 6.95 4.49 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.47 0.00 155 D 7.67 4.96 0.00 2.65 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