NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0942 8.0549 120.3910 62.4088 32.6432 175.1980 2 L 3.9586 8.2645 127.3233 52.5641 42.2141 175.9987 3 S 4.5389 9.7756 119.3114 57.6267 66.2520 175.0592 4 E 4.2710 8.8368 121.4443 59.7312 29.1714 179.9068 5 G 3.6338 8.1097 105.1340 47.7664 0.0000 175.4168 6 E 3.8907 8.2082 120.9088 59.0476 29.4044 179.4271 7 W 4.4477 8.2639 119.1924 59.9208 29.0858 178.3198 8 Q 4.0955 8.6516 119.7817 59.1832 28.5737 178.3297 9 L 4.0718 8.0127 120.0412 57.7153 41.6537 179.6183 10 V 3.7653 8.0190 118.0814 66.2784 31.6218 178.0399 11 L 4.3566 8.5658 118.3508 57.2196 41.3100 178.9226 12 H 4.2264 8.3498 118.5077 59.2029 30.2776 177.3236 13 V 3.7523 7.9193 120.6545 64.5101 31.3278 178.1634 14 W 3.8122 8.6188 128.8637 60.0250 30.1368 177.8011 15 A 4.0246 8.2907 120.8294 54.9321 17.5887 179.7554 16 K 3.6940 7.6762 116.9262 59.3184 31.9850 179.7483 17 V 2.9898 7.0024 118.7481 65.4470 31.0566 177.2860 18 E 4.0068 6.9118 115.0166 57.2973 29.3713 178.1910 19 A 4.1731 7.4282 121.1758 53.7445 20.1377 177.7595 20 D 4.6480 7.9240 116.1720 52.2097 42.9694 175.5728 21 V 3.3939 7.8427 123.9908 66.0146 32.0843 176.7574 22 A 4.0525 8.0123 120.0393 55.0599 18.2617 179.7148 23 G 3.7066 8.4530 104.2480 46.0681 0.0000 175.6572 24 H 4.1338 8.1963 118.8769 58.5653 28.6701 178.1748 25 G 3.5553 8.3110 107.6486 47.7002 0.0000 175.7649 26 Q 3.8585 8.1516 120.4018 58.9152 28.7610 178.6786 27 D 4.2871 7.9917 119.7365 57.2996 40.7511 179.0589 28 I 3.6288 7.9424 120.5259 64.4460 37.1002 178.5393 29 L 3.4024 7.7721 119.8338 57.5011 41.1938 179.7161 30 I 3.5514 7.6296 119.9220 64.1903 36.9718 178.3530 31 R 3.7680 7.9127 119.5565 59.2301 29.9093 178.0806 32 L 3.9425 7.8279 120.1191 58.4805 41.6985 179.1119 33 F 4.5731 8.0873 117.7683 60.5035 38.5603 177.9977 34 K 4.0173 8.1978 117.6253 59.6717 32.0231 179.4491 35 S 4.2970 8.2122 114.3505 60.3003 64.0703 174.6297 36 H 4.6704 8.0266 118.4256 52.2532 29.6465 171.9508 37 P 4.5603 0.0000 0.0000 64.2892 31.6033 177.4664 38 E 4.0719 8.2172 116.5415 59.3894 29.3218 179.1648 39 T 4.0902 8.2826 111.6308 64.6408 68.8558 176.4406 40 L 3.6267 7.8842 123.3934 57.7162 41.8061 178.5229 41 E 3.9910 7.7123 117.4002 58.7388 29.6272 178.3159 42 K 4.4682 8.0586 116.9366 56.9063 32.6514 177.3225 43 F 4.6420 8.2539 119.5048 55.4832 39.7073 175.5466 44 D 4.3958 8.6424 124.6106 57.1674 40.9771 178.6697 45 R 3.8139 7.9146 118.0481 58.2497 30.2447 176.6701 46 F 5.0543 8.0629 114.2740 56.8166 40.9058 176.6161 47 K 4.1419 8.1285 118.7880 58.4464 32.5354 177.5663 48 H 4.3646 8.0662 114.8807 57.5662 28.9205 175.4861 49 L 4.2569 7.6570 121.7599 54.5399 41.6632 176.7586 50 K 4.5329 9.5231 122.4851 56.0069 34.3542 176.6041 51 T 4.7444 7.5039 108.5913 58.8687 73.1702 174.1418 52 E 3.9086 8.6841 121.8264 59.4527 29.6938 178.9407 53 A 4.0186 7.9515 120.3853 55.1378 18.2585 179.3147 54 E 3.9464 8.1629 116.3541 59.7107 29.9376 179.1048 55 M 4.1922 8.1545 118.7202 58.5150 31.8617 179.0840 56 K 3.9990 8.2779 117.2967 58.9399 32.2735 178.5017 57 A 4.4270 7.7255 118.8805 51.8499 19.0947 177.0598 58 S 4.3791 7.5376 113.6451 57.1081 62.6619 174.4149 59 E 4.0041 8.8509 129.4560 59.3214 29.4158 177.9809 60 D 4.4185 8.1898 117.8635 57.1555 41.2769 177.8228 61 L 3.4506 8.1624 121.0931 57.7324 42.1559 178.8260 62 K 3.8646 7.9676 119.3881 59.3879 32.1251 178.8927 63 K 4.0024 8.3741 119.0071 59.8862 31.9391 178.8633 64 H 4.4372 8.7373 118.7079 59.0839 29.7373 177.3908 65 G 3.6002 8.4160 108.0958 47.7934 0.0000 175.8407 66 V 3.6024 7.7482 120.0669 65.9785 31.5731 178.0809 67 T 3.8817 7.8385 115.5641 66.7475 68.3404 176.6286 68 V 3.5857 7.9370 119.9939 66.2073 31.6287 178.1644 69 L 4.2685 8.2125 118.6325 57.7855 41.4360 179.6741 70 T 3.9650 8.3958 116.2222 66.5681 68.4015 176.4991 71 A 4.0141 8.0032 122.6943 55.0478 18.3540 179.4841 72 L 3.7331 8.1423 119.0221 58.1025 42.1345 179.3380 73 G 3.2092 8.5105 105.9033 47.6404 0.0000 175.4692 74 A 3.9844 7.8080 122.1344 54.8365 18.6442 179.5803 75 I 3.7892 7.6260 118.3067 64.5980 37.1518 178.6768 76 L 3.9942 7.9193 120.1707 57.6467 41.1834 179.4677 77 K 3.9678 7.7898 116.6539 58.1105 32.2454 178.5923 78 K 3.9823 7.8563 118.3996 55.7953 32.5542 176.5642 79 K 2.0000 8.3844 118.3760 56.3307 29.8002 175.8013 80 G 3.9223 7.9743 106.4273 45.7393 0.0000 174.0024 81 H 4.5627 7.4788 119.1962 55.4093 27.6559 174.9609 82 H 5.2672 7.3459 110.6010 54.4745 29.8617 176.1731 83 E 3.9293 8.6410 122.5227 60.3273 28.9905 178.7282 84 A 4.0578 7.9355 118.5005 55.1053 18.4663 178.9278 85 E 4.1276 8.1181 116.7688 59.2957 29.7367 179.0762 86 L 4.2131 8.1905 119.0090 57.0702 41.5972 179.0681 87 K 3.8389 7.9468 118.8529 59.4009 31.9943 177.3611 88 P 4.2404 0.0000 0.0000 65.5909 31.3124 178.1865 89 L 3.9710 7.5338 120.2084 57.9594 42.0482 178.7849 90 A 4.1301 8.5894 121.0432 55.2545 18.2670 179.5719 91 Q 3.7768 8.2821 116.9382 59.1253 28.8087 179.3561 92 S 3.9562 8.2810 115.4500 61.7854 63.0183 176.2542 93 H 4.1996 8.6350 119.9521 58.1474 27.8417 177.7793 94 A 2.9982 8.0265 123.2770 54.7447 17.8931 179.3704 95 T 3.7288 7.2128 105.9235 62.2332 69.5812 175.5135 96 K 4.1854 7.4290 120.5225 58.3050 33.2533 176.8969 97 H 4.3447 8.0870 113.9813 56.0343 29.3475 175.2917 98 K 3.7719 6.9663 114.2864 57.4242 29.3006 176.5721 99 I 4.2115 7.8966 119.5735 58.8054 38.2860 175.0135 100 P 4.4273 0.0000 0.0000 62.2703 32.0500 177.5422 101 I 3.3514 8.4124 122.0927 64.6423 36.8784 178.4785 102 K 3.6760 7.9015 119.6502 59.7314 31.9222 178.2308 103 Y 4.1075 8.0751 116.8637 60.6497 37.7279 178.2238 104 L 4.1708 7.8989 120.4290 57.4714 41.6352 178.9550 105 E 3.9615 7.8964 119.0224 59.2271 29.6546 178.6610 106 F 4.4719 7.7410 117.8086 60.8697 38.9465 177.6004 107 I 3.8806 8.2049 118.0724 63.9724 37.7360 178.0605 108 S 4.1901 8.3071 116.4210 61.6031 62.6351 176.4436 109 E 4.0647 8.5953 121.1493 59.3150 29.1681 179.2448 110 A 4.0321 8.1516 120.8536 55.1096 18.3764 179.6584 111 I 3.6738 8.1443 118.6458 64.7407 37.2695 178.7186 112 I 3.8556 7.9781 120.5159 64.6131 36.9017 178.0261 113 H 4.1563 8.4661 119.0699 59.4250 29.6962 177.5851 114 V 3.5853 8.0504 120.1160 65.8800 31.3182 177.9697 115 L 3.7592 8.0312 119.0567 57.7147 41.0435 178.9594 116 H 4.4190 8.0031 117.3657 59.4664 29.9644 177.2170 117 S 4.1770 7.9305 115.7162 61.6506 62.7798 176.5221 118 R 4.0602 7.8512 118.9315 57.5440 31.1222 176.3956 119 H 5.0384 8.1377 116.0479 53.9529 29.9992 173.0603 120 P 4.2995 0.0000 0.0000 65.8473 31.6613 179.2453 121 G 3.7016 8.1447 106.4641 47.4795 0.0000 173.5861 122 D 5.0618 8.1559 117.7773 54.0198 41.5931 176.1734 123 F 5.0090 8.0145 121.1160 56.4231 39.7079 174.8974 124 G 3.8753 7.9954 107.4201 43.9921 0.0000 172.9295 125 A 3.9081 8.4132 120.8904 54.8857 18.2580 179.4151 126 D 4.1981 8.0098 117.0279 56.8608 39.3441 178.7922 127 A 3.9856 7.7617 122.1025 54.3757 18.3424 179.4111 128 Q 3.1613 7.8515 117.2599 58.8214 28.6740 179.3327 129 G 3.4719 8.3047 106.8986 47.5570 0.0000 175.7166 130 A 3.8536 7.9864 123.1304 55.1555 18.3315 179.4532 131 M 4.0109 8.4588 117.2110 58.6482 32.2651 177.9223 132 N 4.3185 8.5130 117.7009 56.6179 39.0305 176.9980 133 K 3.9090 8.2169 119.7547 59.3683 32.1070 179.2146 134 A 3.8455 8.1290 121.3097 55.1219 18.2445 179.7307 135 L 4.1131 8.3337 117.7966 57.6607 41.6900 179.4972 136 E 3.9805 8.6368 119.2833 59.3201 29.3562 179.0444 137 L 4.0063 8.2765 120.6647 57.9873 42.0630 178.5442 138 F 4.1183 8.3611 120.6207 61.6818 39.2762 177.4472 139 R 3.5608 8.2980 117.5093 58.7988 29.8085 178.8938 140 K 3.8183 8.4887 119.8243 59.8061 31.8392 178.6498 141 D 4.3652 8.2434 119.1332 57.2210 40.6584 178.8577 142 I 3.5570 7.7059 120.4470 64.1787 36.9215 178.2996 143 A 3.7052 8.2168 121.8462 54.9451 18.1320 179.5518 144 A 3.9560 7.9565 119.3981 55.2173 18.4867 180.0871 145 K 4.0081 7.8581 116.6769 59.7097 32.0705 179.1226 146 Y 4.0703 8.5679 117.5169 61.0108 37.7972 178.7179 147 K 3.9821 8.5697 120.8415 59.3569 32.0872 178.0479 148 E 3.9190 7.9475 118.5626 59.5942 29.6385 178.4779 149 L 4.4401 7.6581 114.8643 54.9679 41.9555 177.4827 150 G 3.8201 8.2499 107.2669 46.2218 0.0000 173.6792 151 Y 4.6224 8.2440 113.9752 57.1248 39.2872 176.7276 152 Q 4.1419 8.2854 122.6587 57.8395 29.5529 176.0521 153 G 4.0523 8.2636 110.2644 45.6684 0.0000 173.0128 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 V 8.05 4.09 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.26 3.96 0.00 0.66 0.64 0.55 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.78 4.54 0.00 4.02 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 4 E 8.84 4.27 0.00 2.07 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 2.51 2.40 0.00 5 G 8.11 3.63 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 0.00 0.00 0.00 6 E 8.21 3.89 0.00 2.02 1.71 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 2.21 2.26 0.00 7 W 8.26 4.45 0.00 3.56 3.18 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 0.00 8 Q 8.65 4.10 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 8.01 4.07 0.00 1.96 1.75 0.92 0.84 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 10 V 8.02 3.77 2.50 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 1.24 0.00 0.00 0.90 0.00 0.00 11 L 8.57 4.36 0.00 1.85 1.82 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.35 4.23 0.00 3.33 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.92 3.75 2.50 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 0.99 0.00 0.00 0.80 0.00 0.00 14 W 8.62 3.81 0.00 3.69 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 15 A 8.29 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.68 3.69 0.00 1.42 1.54 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.44 7.81 17 V 7.00 2.99 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 0.00 0.00 -0.16 0.00 0.00 0.20 0.00 0.00 18 E 6.91 4.01 0.00 1.68 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 2.20 1.98 0.00 19 A 7.43 4.17 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 20 D 7.92 4.65 0.00 2.66 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 21 V 7.84 3.39 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 8.01 4.05 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 23 G 8.45 3.71 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 0.00 0.00 0.00 0.00 24 H 8.20 4.13 0.00 3.30 3.24 0.00 5.82 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 25 G 8.31 3.56 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 0.00 0.00 0.00 26 Q 8.15 3.86 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 27 D 7.99 4.29 0.00 2.73 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 28 I 7.94 3.63 1.87 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 1.51 0.63 0.88 0.00 0.00 29 L 7.77 3.40 0.00 1.22 0.67 0.72 0.47 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 30 I 7.63 3.55 1.83 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 1.36 0.65 0.87 0.00 0.00 31 R 7.91 3.77 0.00 1.89 2.02 0.00 3.06 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 32 L 7.83 3.94 0.00 1.78 1.53 1.10 1.14 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 33 F 8.09 4.57 0.00 3.12 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 34 K 8.20 4.02 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 35 S 8.21 4.30 0.00 3.72 3.56 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 36 H 8.03 4.67 0.00 3.04 2.75 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.22 4.07 0.00 2.29 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 1.95 2.34 0.00 39 T 8.28 4.09 4.57 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 1.04 0.00 0.00 40 L 7.88 3.63 0.00 1.26 1.73 -0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.71 3.99 0.00 2.15 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 2.39 2.45 0.00 42 K 8.06 4.47 0.00 1.98 1.73 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.93 7.81 43 F 8.25 4.64 0.00 3.19 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 44 D 8.64 4.40 0.00 2.63 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 45 R 7.91 3.81 0.00 1.48 1.23 0.00 2.98 0.00 0.00 2.85 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 46 F 8.06 5.05 0.00 2.90 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 47 K 8.13 4.14 0.00 1.86 2.21 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.45 7.81 48 H 8.07 4.36 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.66 4.26 0.00 1.61 1.60 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.52 4.53 0.00 1.64 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.47 7.81 51 T 7.50 4.74 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 52 E 8.68 3.91 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 53 A 7.95 4.02 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 54 E 8.16 3.95 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 55 M 8.15 4.19 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 56 K 8.28 4.00 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.54 7.81 57 A 7.73 4.43 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.54 4.38 0.00 3.97 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 59 E 8.85 4.00 0.00 2.14 1.96 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 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.91 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 61 L 8.16 3.45 0.00 1.47 1.65 -0.17 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.97 3.86 0.00 1.88 1.98 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.37 4.00 0.00 2.15 1.94 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.51 7.81 64 H 8.74 4.44 0.00 3.62 3.49 0.00 5.79 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 65 G 8.42 3.60 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 0.00 0.00 0.00 66 V 7.75 3.60 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 1.14 0.00 0.00 0.98 0.00 0.00 67 T 7.84 3.88 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 1.27 0.00 0.00 68 V 7.94 3.59 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 1.09 0.00 0.00 0.98 0.00 0.00 69 L 8.21 4.27 0.00 1.81 1.94 0.88 0.78 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 70 T 8.40 3.96 4.45 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 1.25 0.00 0.00 71 A 8.00 4.01 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 72 L 8.14 3.73 0.00 1.58 1.68 0.26 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 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 0.00 0.00 0.00 74 A 7.81 3.98 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 75 I 7.63 3.79 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.61 0.96 0.00 0.00 76 L 7.92 3.99 0.00 1.19 1.58 -0.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.79 3.97 0.00 1.65 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.50 7.81 78 K 7.86 3.98 0.00 1.81 1.80 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.77 7.81 79 K 8.38 2.00 0.00 1.21 0.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 7.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.48 4.56 0.00 3.14 3.23 0.00 5.81 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 82 H 7.35 5.27 0.00 3.27 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 3.93 0.00 2.12 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 2.40 2.48 0.00 84 A 7.94 4.06 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 85 E 8.12 4.13 0.00 2.28 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 2.40 2.47 0.00 86 L 8.19 4.21 0.00 1.73 1.66 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.95 3.84 0.00 1.84 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 88 P 0.00 4.24 0.00 2.28 2.31 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.53 3.97 0.00 1.91 1.86 0.96 1.20 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 90 A 8.59 4.13 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 91 Q 8.28 3.78 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 92 S 8.28 3.96 0.00 3.87 4.09 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 0.00 0.00 0.00 93 H 8.64 4.20 0.00 3.49 3.57 0.00 5.81 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 94 A 8.03 3.00 -0.21 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 95 T 7.21 3.73 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 0.77 0.00 0.00 96 K 7.43 4.19 0.00 1.55 1.72 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 1.34 7.81 97 H 8.09 4.34 0.00 2.99 3.15 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.97 3.77 0.00 1.93 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 99 I 7.90 4.21 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 1.09 0.00 0.00 100 P 0.00 4.43 0.00 1.64 1.76 0.00 2.29 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 1.18 1.81 0.00 101 I 8.41 3.35 1.70 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.51 0.70 0.00 0.00 102 K 7.90 3.68 0.00 1.75 1.72 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 0.64 7.81 103 Y 8.08 4.11 0.00 3.11 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 7.90 4.17 0.00 1.81 1.83 0.63 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.90 3.96 0.00 1.95 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 2.44 2.42 0.00 106 F 7.74 4.47 0.00 3.28 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.20 3.88 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 1.10 0.00 0.00 108 S 8.31 4.19 0.00 4.18 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 0.00 109 E 8.60 4.06 0.00 2.28 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 0.00 2.66 2.61 0.00 110 A 8.15 4.03 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 0.00 111 I 8.14 3.67 2.09 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 1.60 0.72 1.05 0.00 0.00 112 I 7.98 3.86 2.14 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 1.69 1.14 1.18 0.00 0.00 113 H 8.47 4.16 0.00 3.35 3.47 0.00 5.59 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 0.00 114 V 8.05 3.59 2.06 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 0.96 0.00 0.00 0.95 0.00 0.00 115 L 8.03 3.76 0.00 1.05 0.41 0.80 0.71 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 0.00 116 H 8.00 4.42 0.00 3.56 3.60 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 0.00 117 S 7.93 4.18 0.00 3.95 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 0.00 118 R 7.85 4.06 0.00 1.46 1.48 0.00 2.70 0.00 0.00 2.66 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 119 H 8.14 5.04 0.00 3.18 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.20 2.23 0.00 3.76 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 2.06 1.93 0.00 121 G 8.14 3.70 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 0.00 0.00 0.00 122 D 8.16 5.06 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.01 5.01 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.41 3.91 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 0.00 126 D 8.01 4.20 0.00 2.87 2.90 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 0.00 127 A 7.76 3.99 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 0.00 128 Q 7.85 3.16 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 129 G 8.30 3.47 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 0.00 130 A 7.99 3.85 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 0.00 131 M 8.46 4.01 0.00 2.43 2.44 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.89 0.00 132 N 8.51 4.32 0.00 2.86 2.96 0.00 0.00 7.17 7.41 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 0.00 133 K 8.22 3.91 0.00 1.83 1.67 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 A 8.13 3.85 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 0.00 135 L 8.33 4.11 0.00 1.74 1.79 0.98 0.99 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 0.00 136 E 8.64 3.98 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 2.53 0.00 137 L 8.28 4.01 0.00 1.86 1.97 0.99 1.30 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 0.00 138 F 8.36 4.12 0.00 3.06 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 0.00 139 R 8.30 3.56 0.00 2.03 1.86 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 140 K 8.49 3.82 0.00 1.74 2.01 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.24 4.37 0.00 2.76 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 0.00 142 I 7.71 3.56 1.32 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.17 0.49 0.00 0.00 143 A 8.22 3.71 1.23 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 0.00 0.00 144 A 7.96 3.96 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 0.00 145 K 7.86 4.01 0.00 2.04 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 146 Y 8.57 4.07 0.00 3.05 3.06 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 0.00 147 K 8.57 3.98 0.00 2.08 2.01 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.95 3.92 0.00 2.04 2.26 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 2.36 2.40 0.00 149 L 7.66 4.44 0.00 1.96 1.92 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.25 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 0.00 151 Y 8.24 4.62 0.00 2.64 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 0.00 152 Q 8.29 4.14 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 153 G 8.26 4.05 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 0.00