NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4497 8.3349 115.4127 57.5603 63.8997 173.5394 2 K 3.9128 8.6151 125.3371 55.9620 32.5198 175.1946 3 T 4.2374 8.4305 115.7703 63.3310 69.5194 174.9754 4 N 4.4617 7.9266 120.4966 52.9504 40.0054 173.7486 5 P 4.3168 0.0000 0.0000 65.4740 31.5256 178.9916 6 R 3.9504 8.6271 117.6874 59.0705 30.0508 178.7733 7 L 3.9553 8.0500 119.7216 58.0919 42.2778 179.0054 8 S 4.1613 7.8156 115.3302 61.4305 62.6080 176.8884 9 S 4.0473 7.8446 117.4709 61.5529 62.7361 176.0351 10 L 3.7905 7.9995 123.1490 58.5650 41.6487 179.3140 11 I 3.6532 7.7321 118.8588 64.4192 37.1125 178.2607 12 A 4.0219 7.7768 121.1869 55.2124 18.1666 179.5326 13 D 4.2318 8.8617 117.9798 57.5924 41.0410 178.9069 14 L 3.9223 8.3214 119.7179 57.5815 41.4947 179.8671 15 K 3.9850 7.9598 118.6598 59.5400 32.1991 179.1265 16 S 4.1043 8.2664 113.0965 61.3831 62.0452 176.4510 17 A 3.9472 8.0252 123.0952 55.2103 18.1220 179.3751 18 A 4.6921 7.6850 118.5845 54.6379 18.3967 179.6073 19 R 4.1853 7.9271 115.5968 59.1445 30.6007 178.9436 20 S 4.3044 7.8941 113.8909 62.0574 63.3986 176.4589 21 S 4.6838 8.2664 116.7198 57.6102 65.8553 174.2538 22 G 3.7409 8.5818 109.9399 46.4877 0.0000 174.1371 23 G 3.6667 7.6766 108.7445 46.3528 0.0000 173.8726 24 A 4.5980 8.3188 126.1769 52.2856 21.5315 178.5114 25 V 3.4456 7.3644 109.2942 63.8823 31.7886 178.2089 26 W 4.9061 7.7180 118.3792 60.1821 28.8142 178.5658 27 G 3.7297 8.1999 104.5014 47.1482 0.0000 175.1741 28 D 4.3549 7.5681 120.4237 57.2330 41.2526 178.4440 29 V 3.6271 8.7035 119.1119 65.7566 31.4817 177.8518 30 A 3.9976 8.2654 120.6687 55.2924 18.0303 179.3427 31 E 3.9022 7.7556 115.9216 59.6858 29.4691 179.3288 32 R 4.0950 7.7880 118.5092 58.9661 29.9268 178.4383 33 L 3.9166 7.8465 118.3928 57.4292 41.6765 178.8476 34 E 4.1473 8.2379 117.9896 58.0287 29.6090 177.8095 35 K 4.2676 6.8723 116.2315 54.9613 32.9952 174.8511 36 P 4.2454 0.0000 0.0000 62.9999 32.0026 177.9472 37 R 3.3530 8.5386 120.1795 58.8907 30.1776 179.2254 38 R 4.0048 7.8699 113.4372 58.4884 29.6576 177.2761 39 T 4.2880 7.7268 107.2812 62.1300 69.4397 174.8347 40 H 4.4498 7.7019 119.5619 55.5030 29.6254 174.6661 41 A 4.2006 8.2129 124.0792 52.1879 19.4826 176.7473 42 E 4.9313 8.7922 121.3945 54.2148 31.0822 174.0346 43 V 4.3706 8.7151 123.7496 61.0930 34.0378 174.7643 44 N 5.5466 8.4519 124.3611 51.3006 40.8670 176.1532 45 L 4.1221 8.5993 119.6884 57.9694 41.6769 179.9736 46 G 3.6891 8.1993 105.6959 47.4249 0.0000 175.1656 47 R 4.1237 7.8170 120.1991 58.1382 30.1439 178.4109 48 I 3.9114 7.6956 119.9904 64.2002 37.0784 177.5812 49 E 3.8955 8.1042 118.6180 59.2360 29.4889 178.5055 50 R 3.8216 7.2996 117.1401 59.0082 30.2927 176.7094 51 Y 4.7126 7.2556 111.5999 57.8088 38.9972 175.6723 52 A 4.6575 7.9970 123.3349 50.9328 20.2673 176.5608 53 Q 4.6451 8.1199 116.5671 53.8054 30.7960 175.2260 54 E 4.0344 8.6794 119.0129 57.8798 30.0406 176.4603 55 D 4.5439 8.6778 117.7155 54.7847 38.4816 174.1131 56 E 4.6125 7.6467 120.9371 55.2714 31.8776 174.6562 57 T 4.1688 8.4947 125.2197 64.1817 69.8891 173.5789 58 V 4.4731 8.8225 126.6709 61.8706 33.2470 174.5372 59 V 4.9459 8.8821 128.8508 61.2629 33.8540 174.3067 60 V 4.7967 9.4524 129.1641 59.0059 33.2614 174.3200 61 P 5.0409 0.0000 0.0000 60.2530 30.4398 175.0318 62 G 4.2090 7.1042 118.4452 47.3547 0.0000 175.8225 63 K 4.9658 9.4168 126.9268 54.1716 35.9837 173.5014 64 V 4.8317 8.3656 126.0666 61.4094 33.5666 174.9442 65 L 4.9840 9.1741 127.8374 52.5562 45.0165 176.4695 66 G 4.6119 8.2313 106.0475 46.2250 0.0000 174.0389 67 S 4.6573 8.4469 115.7445 58.1249 65.3256 177.0107 68 G 4.0201 8.7553 111.6073 45.0575 0.0000 172.3957 69 V 4.3652 7.9545 117.2072 60.6902 33.5212 174.5069 70 L 4.7416 8.3320 126.3766 53.4800 44.2685 175.6964 71 Q 4.5006 9.2981 124.8224 56.6595 30.9554 176.9201 72 K 3.9322 8.2812 116.6883 56.8103 32.9380 177.5506 73 D 5.5114 8.5385 124.0939 53.3155 39.4037 174.9700 74 V 4.5502 7.3726 115.4973 59.7694 35.7459 176.0360 75 T 4.7338 8.3526 119.6161 62.2662 70.1576 173.5834 76 V 4.6688 8.6340 127.6965 61.6130 33.4104 174.4137 77 A 5.9400 10.0450 130.2873 49.5878 21.9125 175.0392 78 A 5.0884 8.2879 122.4008 50.1767 22.8141 176.7238 79 V 3.6340 8.1385 118.3586 66.0586 32.0693 175.6945 80 D 4.5410 7.1109 116.6135 53.3970 44.3468 174.3642 81 F 5.4132 8.7396 121.0410 55.4447 42.7022 175.1511 82 S 4.3490 9.1453 117.1019 58.0160 64.0893 175.2506 83 G 3.9002 9.1130 108.8082 48.8743 0.0000 176.0798 84 T 3.9115 7.9444 117.4845 65.9572 68.5147 176.4070 85 A 4.0174 8.0553 122.7366 55.4209 18.6102 179.2682 86 E 3.6510 8.4847 117.5418 59.4921 29.0743 179.4421 87 T 3.8613 7.5641 115.9151 66.6113 68.4895 177.1121 88 K 3.9969 8.1191 119.0938 59.4766 32.1546 179.2436 89 I 3.8644 7.8159 120.4081 64.3062 36.9779 177.8985 90 D 4.5720 7.6473 120.2212 56.6499 40.7219 179.1265 91 Q 4.1764 7.6065 117.4131 58.2101 28.9881 177.4967 92 V 4.4730 7.3867 109.7527 60.7956 33.5214 174.3877 93 G 4.2714 8.0800 110.9882 45.1007 0.0000 174.2988 94 E 4.9476 9.2918 127.0192 54.7011 33.0740 174.0678 95 A 4.6880 9.1499 130.6679 50.8269 19.5973 176.3253 96 V 4.5829 8.8481 123.0338 61.2182 35.0473 175.5154 97 S 4.8239 8.5867 120.3638 57.7747 63.9424 175.0751 98 L 4.0153 8.3613 123.3794 57.9671 41.8028 179.2390 99 E 3.9037 7.6885 118.3518 58.9133 29.3629 179.1291 100 Q 3.9784 7.9530 118.2014 58.8547 28.8929 177.8964 101 A 4.0497 8.0240 121.2159 55.6708 18.0527 179.5040 102 I 2.7485 6.7153 116.7187 64.2380 37.1138 178.0162 103 E 4.0376 7.3187 117.8037 59.2478 29.5475 178.2785 104 N 4.5964 8.5257 116.1473 54.9621 40.2190 175.1609 105 N 5.1683 8.9766 117.8038 51.3729 39.1185 173.0507 106 P 4.6980 0.0000 0.0000 65.1190 32.1699 178.8524 107 E 4.1739 8.4845 117.8173 56.9617 30.3070 176.2961 108 G 3.3504 8.2917 107.3457 46.4249 0.0000 173.3645 109 S 4.5570 8.3134 111.4489 57.6557 66.2880 174.3453 110 H 4.0166 8.4403 117.3019 57.1760 25.9247 174.9353 111 V 4.7165 7.3775 116.2544 59.9524 34.4462 175.7835 112 R 4.4849 8.8505 125.8648 54.5424 31.8710 174.9916 113 V 4.4178 8.3258 126.8519 62.5773 32.4585 175.0510 114 I 4.8260 8.8021 128.3743 59.4940 41.1175 176.0076 115 R 4.1698 8.3737 121.2124 56.6479 29.1451 174.7201 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 S 8.33 4.45 0.00 3.99 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 2 K 8.62 3.91 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.44 7.81 3 T 8.43 4.24 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 4 N 7.93 4.46 0.00 2.79 2.68 0.00 0.00 7.25 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 5 P 0.00 4.32 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 R 8.63 3.95 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.05 3.96 0.00 1.75 1.82 0.92 0.92 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 8 S 7.82 4.16 0.00 4.04 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 9 S 7.84 4.05 0.00 3.97 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 10 L 8.00 3.79 0.00 1.70 1.82 0.88 1.29 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 11 I 7.73 3.65 2.01 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 1.45 0.55 0.92 0.00 0.00 12 A 7.78 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 13 D 8.86 4.23 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 14 L 8.32 3.92 0.00 1.88 1.93 0.93 0.70 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 15 K 7.96 3.99 0.00 2.05 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.27 4.10 0.00 3.89 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 17 A 8.03 3.95 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 18 A 7.69 4.69 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 19 R 7.93 4.19 0.00 1.83 2.01 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 20 S 7.89 4.30 0.00 3.96 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 21 S 8.27 4.68 0.00 4.18 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 0.00 22 G 8.58 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 0.00 0.00 0.00 23 G 7.68 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 24 A 8.32 4.60 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 25 V 7.36 3.45 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 0.63 0.00 0.00 -0.25 0.00 0.00 26 W 7.72 4.91 0.00 3.35 3.19 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 0.00 0.00 0.00 0.00 27 G 8.20 3.73 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 0.00 0.00 0.00 28 D 7.57 4.35 0.00 2.91 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 29 V 8.70 3.63 2.41 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 1.02 0.00 0.00 1.14 0.00 0.00 30 A 8.27 4.00 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 31 E 7.76 3.90 0.00 2.11 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 2.36 2.51 0.00 32 R 7.79 4.09 0.00 1.86 2.04 0.00 3.36 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.85 3.92 0.00 1.77 1.68 0.89 0.65 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 34 E 8.24 4.15 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 2.36 2.56 0.00 35 K 6.87 4.27 0.00 2.02 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.64 7.81 36 P 0.00 4.25 0.00 2.15 1.98 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 37 R 8.54 3.35 0.00 1.78 1.87 0.00 3.09 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 38 R 7.87 4.00 0.00 1.90 2.04 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.73 4.29 4.27 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 1.22 0.00 0.00 40 H 7.70 4.45 0.00 3.29 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.21 4.20 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 42 E 8.79 4.93 0.00 1.82 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 2.19 2.27 0.00 43 V 8.72 4.37 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 1.01 0.00 0.00 0.95 0.00 0.00 44 N 8.45 5.55 0.00 2.70 2.93 0.00 0.00 7.63 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.60 4.12 0.00 1.88 1.74 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.20 3.69 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 0.00 0.00 0.00 47 R 7.82 4.12 0.00 1.89 2.09 0.00 3.18 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 48 I 7.70 3.91 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.96 0.00 0.00 49 E 8.10 3.90 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 50 R 7.30 3.82 0.00 1.79 1.26 0.00 2.21 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.33 0.00 51 Y 7.26 4.71 0.00 3.08 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 52 A 8.00 4.66 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 53 Q 8.12 4.65 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 54 E 8.68 4.03 0.00 2.06 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 0.00 2.41 2.36 0.00 55 D 8.68 4.54 0.00 2.80 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 56 E 7.65 4.61 0.00 2.12 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 0.00 2.25 2.40 0.00 57 T 8.49 4.17 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 1.37 0.00 0.00 58 V 8.82 4.47 2.16 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 8.88 4.95 2.12 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 1.08 0.00 0.00 1.20 0.00 0.00 60 V 9.45 4.80 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 0.94 0.00 0.00 0.95 0.00 0.00 61 P 0.00 5.04 0.00 2.13 2.22 0.00 3.96 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 62 G 7.10 4.21 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 63 K 9.42 4.97 0.00 1.67 1.55 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.37 4.83 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 1.17 0.00 0.00 0.86 0.00 0.00 65 L 9.17 4.98 0.00 1.86 1.57 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.23 4.61 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 67 S 8.45 4.66 0.00 3.95 3.78 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 68 G 8.76 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 69 V 7.95 4.37 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.33 4.74 0.00 1.58 1.50 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.30 4.50 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 72 K 8.28 3.93 0.00 1.75 1.77 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 73 D 8.54 5.51 0.00 2.70 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 74 V 7.37 4.55 2.12 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 0.78 0.00 0.00 1.01 0.00 0.00 75 T 8.35 4.73 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 76 V 8.63 4.67 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 1.15 0.00 0.00 1.02 0.00 0.00 77 A 10.04 5.94 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 78 A 8.29 5.09 0.58 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 0.00 0.00 79 V 8.14 3.63 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 0.69 0.00 0.00 0.89 0.00 0.00 80 D 7.11 4.54 0.00 2.74 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.74 5.41 0.00 2.90 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 82 S 9.15 4.35 0.00 3.93 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 0.00 83 G 9.11 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 0.00 0.00 0.00 84 T 7.94 3.91 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 1.23 0.00 0.00 85 A 8.06 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.48 3.65 0.00 1.95 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 2.20 2.09 0.00 87 T 7.56 3.86 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 1.20 0.00 0.00 88 K 8.12 4.00 0.00 1.84 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 89 I 7.82 3.86 1.75 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 1.55 0.84 0.86 0.00 0.00 90 D 7.65 4.57 0.00 2.67 2.71 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 91 Q 7.61 4.18 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 92 V 7.39 4.47 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 0.80 0.00 0.00 0.96 0.00 0.00 93 G 8.08 4.27 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 0.00 94 E 9.29 4.95 0.00 2.01 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 2.17 2.23 0.00 95 A 9.15 4.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.85 4.58 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.97 0.00 0.00 97 S 8.59 4.82 0.00 4.09 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.36 4.02 0.00 2.00 1.63 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.69 3.90 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 100 Q 7.95 3.98 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 101 A 8.02 4.05 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 0.00 102 I 6.72 2.75 1.65 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 -0.13 -0.01 0.57 0.00 0.00 103 E 7.32 4.04 0.00 1.96 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 2.31 2.32 0.00 104 N 8.53 4.60 0.00 2.74 2.90 0.00 0.00 6.75 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 0.00 105 N 8.98 5.17 0.00 2.84 3.06 0.00 0.00 6.95 8.15 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 0.00 106 P 0.00 4.70 0.00 2.35 2.44 0.00 3.83 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 107 E 8.48 4.17 0.00 2.15 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 0.00 2.34 2.40 0.00 108 G 8.29 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 0.00 0.00 0.00 109 S 8.31 4.56 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.44 4.02 0.00 3.36 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.38 4.72 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 0.40 0.00 0.00 0.93 0.00 0.00 112 R 8.85 4.48 0.00 2.04 1.84 0.00 3.11 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 113 V 8.33 4.42 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 0.82 0.00 0.00 0.87 0.00 0.00 114 I 8.80 4.83 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.99 0.00 0.00 115 R 8.37 4.17 0.00 1.86 1.82 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00