NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1603 8.1627 120.2749 54.7008 33.1322 173.9889 2 K 4.0290 8.4814 128.4559 56.1143 32.6190 175.1875 3 G 3.9890 8.8396 116.0772 44.9642 0.0000 171.8770 4 D 4.5638 8.4817 119.7087 54.3887 41.9598 177.1458 5 T 3.8746 8.8403 122.7674 66.8053 68.5697 176.7015 6 K 3.8777 8.1676 120.9557 58.9691 32.2312 178.9096 7 V 3.8966 8.3304 118.8992 66.1835 31.4282 177.8392 8 I 3.7509 7.7882 119.4656 64.6513 36.9842 178.0609 9 N 4.2366 8.1505 116.9814 56.5192 38.2671 176.9608 10 Y 4.1647 7.9571 117.9746 61.2296 37.9896 178.7824 11 L 3.9244 8.5315 120.1515 57.9964 41.6625 179.4604 12 N 4.3776 8.4888 116.6845 55.9293 38.4165 177.4790 13 K 3.8680 8.1148 121.1706 59.4133 32.3394 178.9660 14 L 3.7976 7.9947 119.5872 57.4442 41.3711 178.8946 15 L 3.9460 7.6481 120.8724 58.3316 42.0437 179.2380 16 G 3.6458 8.1359 105.3766 47.9100 0.0000 175.1927 17 N 4.3386 8.0918 118.7722 56.2483 38.5779 177.2660 18 E 4.1019 8.2455 119.7705 59.5342 29.2598 179.4869 19 L 4.0311 8.2439 119.1833 57.6250 41.6142 179.7599 20 V 3.5722 7.7527 117.5980 66.0549 31.4646 177.9402 21 A 3.8693 8.0931 120.4451 55.0463 18.1774 179.4045 22 I 3.7629 8.2306 118.7485 64.9470 37.2805 178.4067 23 N 4.3987 7.8784 116.6688 56.2640 38.2971 177.4672 24 Q 3.8086 8.2223 120.9755 59.4419 29.1221 177.6688 25 Y 4.3460 8.1093 118.0513 61.1177 37.9821 178.6517 26 F 3.8901 8.4618 121.5488 61.0251 39.5126 176.8754 27 L 3.9534 8.1651 119.9874 58.6010 41.8505 178.4892 28 H 3.7675 8.3074 115.9419 58.7780 28.5744 177.3082 29 A 4.1681 8.2002 122.6032 55.6653 18.1539 179.9123 30 R 3.8099 7.6971 115.4699 58.7581 30.1316 179.2533 31 M 3.3992 7.7695 119.1042 58.0850 31.7647 178.4743 32 F 4.5667 7.4285 117.8936 60.5574 39.1209 177.5397 33 K 3.8801 8.2686 119.2537 59.6331 31.7765 177.9351 34 N 4.2296 8.0265 116.1055 56.7793 38.9062 176.2633 35 W 4.7736 7.9333 117.1279 57.6019 29.4023 177.2564 36 G 4.0009 8.3672 108.3178 45.8692 0.0000 174.1023 37 L 4.6740 8.1643 122.4362 52.5655 38.2602 176.7954 38 K 3.8032 7.9135 123.8607 59.8718 32.5974 177.5621 39 R 3.9004 8.2253 118.8125 59.3739 29.9606 178.5002 40 L 4.0963 7.7702 118.4488 57.4032 41.6359 178.5048 41 N 4.5318 8.2167 117.1480 56.9910 38.8881 176.6339 42 D 4.3084 8.0523 120.0828 57.3704 40.9202 179.0623 43 V 3.2721 7.5161 118.2333 65.9519 31.4551 178.0081 44 E 3.9039 8.2913 118.4163 59.2949 29.3136 178.6869 45 Y 3.8872 8.1737 119.7486 60.8978 38.8587 177.5400 46 H 3.9137 8.1582 119.0542 59.3199 29.9118 176.8593 47 E 3.4084 8.1281 120.6353 59.1918 29.0506 179.2518 48 S 4.1028 7.7517 112.9692 61.5775 62.4654 176.3552 49 I 3.5427 7.3651 122.2838 64.2739 36.7738 177.9787 50 D 4.2000 7.8690 119.7511 57.6210 40.6580 178.9724 51 E 4.1794 8.0824 118.7842 59.4876 29.3341 179.2960 52 M 4.0728 8.0262 118.9190 58.3522 32.0222 178.8613 53 K 3.9120 8.0761 118.5462 59.7300 32.1906 179.1098 54 H 4.1167 8.2274 116.1436 58.8085 28.5839 177.6276 55 A 4.2510 8.5318 122.9738 55.2964 18.1605 179.0262 56 D 4.2952 8.3601 116.6492 57.6885 41.2868 178.7273 57 R 3.8578 7.9275 118.3824 59.4266 30.0500 178.6404 58 Y 4.2720 7.7833 116.3522 61.1971 37.9212 178.6411 59 I 3.7582 8.1825 120.9285 64.7242 37.2699 178.4286 60 E 4.0579 8.4553 119.3750 59.1881 29.1976 179.5496 61 R 3.9988 8.1709 118.8274 59.5567 30.2715 178.3432 62 I 3.7681 8.3597 119.9950 64.6500 37.1725 178.4047 63 L 4.0239 8.0529 119.4931 57.7516 41.2545 179.2102 64 F 4.3490 8.2083 119.4512 61.3539 39.5723 176.4469 65 L 4.5806 8.0165 117.3994 53.9599 41.2720 177.1592 66 E 3.9284 7.9981 117.6628 57.4050 26.9808 174.5805 67 G 3.9358 8.2576 108.7698 44.1239 0.0000 173.7109 68 L 4.5470 8.0098 119.0514 51.9593 42.1915 175.1077 69 P 4.3749 0.0000 0.0000 62.6406 31.7574 176.0095 70 N 4.6927 9.5397 122.1817 52.4633 38.5973 174.1111 71 L 4.6218 8.2960 124.2305 54.5360 42.5991 177.5255 72 Q 4.1005 8.5252 121.7695 58.2145 29.3091 175.8846 73 D 4.6637 8.0819 117.1402 52.8284 41.8899 175.2738 74 L 4.5654 8.3029 125.5667 52.7800 43.9965 176.4720 75 G 3.8276 8.4311 115.5803 44.6739 0.0000 171.7256 76 K 4.1211 8.3024 120.6330 55.8042 32.5973 176.6325 77 L 4.2186 8.3062 126.4020 54.3388 42.4008 176.3882 78 N 4.8300 8.6691 120.7155 51.7038 39.5459 174.4438 79 I 3.7866 8.3389 125.2950 64.0727 37.6532 178.1386 80 G 4.4174 8.2224 102.7293 45.4265 0.0000 172.7292 81 E 4.7753 8.7665 117.0163 55.6129 31.9348 176.2049 82 D 4.9781 7.7132 117.7492 50.2737 44.0015 176.1247 83 V 4.0490 8.5005 119.2524 66.6215 31.3453 177.6860 84 E 3.8645 8.1907 118.1076 59.3273 29.4318 178.1660 85 E 3.9507 8.4424 119.4649 59.4825 29.6844 178.7031 86 M 4.2196 8.3682 117.1853 58.3175 31.3541 178.5985 87 L 4.1658 8.3358 120.2275 57.7242 41.7792 179.6899 88 R 3.9689 8.3131 118.2442 59.1956 29.9379 179.1007 89 S 4.1330 8.1399 113.0378 61.3814 62.3602 175.9027 90 D 4.2063 8.1764 121.6736 57.1412 40.5164 178.4514 91 L 3.9770 8.1314 120.4786 58.2528 42.1872 178.6296 92 A 3.9888 8.3664 121.0638 55.3269 18.2768 179.3838 93 L 3.9171 7.9471 118.5610 58.2786 42.0801 179.0045 94 E 4.0699 8.4177 118.6260 59.4523 29.4300 179.3488 95 L 4.0240 8.1836 119.0499 58.0010 41.7117 179.3577 96 D 4.4874 8.3011 118.9435 57.3563 40.7687 179.1468 97 G 3.6417 8.3359 106.0643 47.6504 0.0000 175.6957 98 A 4.0690 8.4482 123.4894 54.6278 18.5020 179.4855 99 K 3.8420 8.0513 118.2274 59.9601 32.2757 178.7232 100 N 4.4112 8.1453 116.5433 56.2580 38.3416 177.3475 101 L 3.9996 8.0457 120.3321 57.9555 41.8746 179.7996 102 R 3.8927 8.1314 117.9271 59.0813 29.9669 178.7392 103 E 3.8502 8.0623 118.3581 59.2870 29.6357 178.6945 104 A 2.8063 7.7351 120.7027 54.8606 18.2350 179.6598 105 I 3.7205 8.0159 118.6900 64.4006 36.9376 178.9041 106 G 3.5956 7.6815 105.2082 47.8994 0.0000 174.8937 107 Y 4.0970 7.9277 121.8242 60.3019 38.7996 177.4222 108 A 3.8195 8.2130 122.1001 55.3106 18.3807 179.0467 109 D 4.1233 7.7918 116.3487 57.5176 41.1126 178.7061 110 S 4.0939 7.4989 113.0633 60.3525 63.1019 175.7518 111 V 3.9596 6.8149 113.3334 60.5060 31.6643 175.3955 112 H 2.7611 7.0114 114.1780 56.7804 26.7391 176.3008 113 D 4.4994 7.4326 121.6514 53.6562 38.4269 175.9040 114 Y 4.3752 7.6043 121.8254 60.0333 38.4004 177.4789 115 V 3.7325 7.8585 120.1140 64.6119 31.7884 178.3827 116 S 4.1398 8.2155 115.3674 61.3583 62.6181 176.5170 117 R 3.8792 7.9738 121.2542 59.5550 29.9382 177.9445 118 D 4.3049 8.3465 117.8115 57.5361 41.2307 177.7050 119 M 3.9530 8.2034 118.7393 59.2028 32.1823 178.2039 120 M 4.1414 8.3011 118.7142 58.3413 32.0803 178.8915 121 I 3.7420 8.1421 120.5069 64.1994 37.2907 178.2523 122 E 3.9594 8.0825 119.2350 59.5184 29.2342 179.4813 123 I 3.5052 7.6655 119.7907 64.1968 37.0382 178.2668 124 L 3.9348 8.1223 121.3283 58.0024 41.9038 178.8676 125 R 3.8845 8.0745 118.6868 59.6416 30.0163 178.1944 126 D 4.3460 8.0083 118.3922 57.4832 40.8278 178.6897 127 E 4.0093 8.3662 119.2621 59.5149 29.4322 179.3254 128 E 4.3663 8.7585 119.1229 59.0512 29.4265 179.6820 129 G 3.6426 7.9209 105.7235 48.0280 0.0000 175.5279 130 H 4.5672 8.3722 118.7869 58.7533 28.6976 177.7562 131 I 3.8157 8.3868 121.9799 64.6236 37.0207 177.8124 132 D 4.3643 8.3740 118.6756 57.1207 41.0596 178.1090 133 W 4.1303 8.3610 128.7003 60.4590 30.7849 177.7904 134 L 3.7254 8.2258 118.8007 57.9283 41.1600 179.2856 135 E 3.9257 8.3913 118.5607 59.7830 29.3546 179.7159 136 T 3.7769 7.8647 115.4489 66.5959 68.5386 176.5100 137 E 3.7614 7.5811 120.2976 59.3891 29.2143 179.4314 138 L 3.7588 7.6575 118.7843 57.9147 41.6689 179.4272 139 D 4.3764 8.0255 118.7352 57.2488 40.6984 178.7726 140 L 4.0072 8.0065 119.6357 57.7268 41.6496 179.5001 141 I 3.3863 7.3199 119.7229 64.5316 36.7606 178.5364 142 Q 3.9769 7.3405 116.1175 58.6659 28.5924 178.5824 143 K 4.1336 7.9702 119.0579 59.0713 32.3385 178.5270 144 M 4.3700 8.1658 114.2536 54.0132 32.3620 177.2510 145 G 4.1206 7.5451 105.1702 45.9786 0.0000 174.4950 146 L 3.9831 8.3527 120.9907 57.9833 42.1741 179.2095 147 Q 3.9833 8.0765 117.5131 59.2500 28.8418 178.6165 148 N 4.3407 8.1328 116.7547 56.3974 38.4169 176.5688 149 Y 3.9906 7.9619 119.8302 60.7733 39.1848 177.9784 150 L 4.0579 8.5160 120.1765 57.8705 41.2134 179.2345 151 Q 3.9525 8.1651 119.2366 59.0503 28.7581 177.7475 152 A 4.1462 7.6535 119.2141 53.4761 18.7215 178.2548 153 Q 4.2588 7.7158 116.1617 55.7863 29.2509 177.2999 154 I 4.2165 7.2421 111.7357 61.6086 38.2539 176.2133 155 R 4.6605 7.5574 119.6864 53.7098 32.3783 175.4835 156 E 4.1136 8.4904 119.8045 56.0399 30.4548 175.9315 157 E 4.0975 8.4684 122.0788 55.4548 30.7191 176.5424 *158 G 3.7276 8.5451 113.4265 45.9048 0.0000 172.3962 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 4.16 0.00 1.37 1.78 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.48 4.03 0.00 1.83 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.84 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 4 D 8.48 4.56 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.84 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 K 8.17 3.88 0.00 1.69 1.84 0.00 1.37 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.00 7.81 7 V 8.33 3.90 2.36 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 1.11 0.00 0.00 1.16 0.00 0.00 8 I 7.79 3.75 2.03 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 1.55 0.66 0.92 0.00 0.00 9 N 8.15 4.24 0.00 2.66 2.66 0.00 0.00 7.07 7.08 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 10 Y 7.96 4.16 0.00 3.30 2.92 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 11 L 8.53 3.92 0.00 2.05 1.79 1.12 0.83 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 12 N 8.49 4.38 0.00 2.89 2.82 0.00 0.00 6.66 8.72 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 13 K 8.11 3.87 0.00 1.86 1.98 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 7.99 3.80 0.00 0.97 1.12 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.65 3.95 0.00 1.67 1.82 1.05 1.08 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 16 G 8.14 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.09 4.34 0.00 2.96 2.91 0.00 0.00 7.05 7.81 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 18 E 8.25 4.10 0.00 2.26 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 0.00 2.76 2.90 0.00 19 L 8.24 4.03 0.00 1.82 1.72 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.75 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 21 A 8.09 3.87 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.23 3.76 2.05 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 1.61 0.96 0.90 0.00 0.00 23 N 7.88 4.40 0.00 2.90 2.86 0.00 0.00 6.76 7.45 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 24 Q 8.22 3.81 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.11 4.35 0.00 3.22 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 26 F 8.46 3.89 0.00 3.42 3.09 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 27 L 8.17 3.95 0.00 1.99 1.60 0.89 0.89 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 28 H 8.31 3.77 0.00 3.49 3.19 0.00 5.71 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 8.20 4.17 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 30 R 7.70 3.81 0.00 1.77 1.89 0.00 3.27 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.77 0.00 31 M 7.77 3.40 0.00 0.81 1.49 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.17 0.00 32 F 7.43 4.57 0.00 3.30 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 33 K 8.27 3.88 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 8.03 4.23 0.00 2.66 2.68 0.00 0.00 7.36 7.49 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 35 W 7.93 4.77 0.00 3.75 3.17 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 0.00 0.00 0.00 36 G 8.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.16 4.67 0.00 2.19 1.67 1.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 3.80 0.00 2.00 1.82 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.61 7.81 39 R 8.23 3.90 0.00 2.10 2.00 0.00 3.53 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.77 4.10 0.00 1.67 1.02 1.08 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.22 4.53 0.00 3.11 3.03 0.00 0.00 7.19 8.52 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 42 D 8.05 4.31 0.00 2.85 2.66 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 43 V 7.52 3.27 1.64 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 -0.79 0.00 0.00 0.77 0.00 0.00 44 E 8.29 3.90 0.00 2.34 2.39 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 2.64 3.15 0.00 45 Y 8.17 3.89 0.00 2.95 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 46 H 8.16 3.91 0.00 3.33 3.37 0.00 5.85 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 47 E 8.13 3.41 0.00 1.16 1.12 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 1.87 1.79 0.00 48 S 7.75 4.10 0.00 4.05 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 49 I 7.37 3.54 1.70 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.49 0.78 0.00 0.00 50 D 7.87 4.20 0.00 2.62 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 51 E 8.08 4.18 0.00 2.19 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 2.71 2.82 0.00 52 M 8.03 4.07 0.00 2.04 2.21 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 2.82 2.55 0.00 53 K 8.08 3.91 0.00 1.87 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.65 7.81 54 H 8.23 4.12 0.00 3.55 3.47 0.00 5.64 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 8.53 4.25 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 56 D 8.36 4.30 0.00 2.91 2.85 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 0.00 0.00 0.00 57 R 7.93 3.86 0.00 1.82 1.77 0.00 3.13 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 1.58 1.78 0.00 58 Y 7.78 4.27 0.00 3.24 2.96 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 0.00 0.00 0.00 59 I 8.18 3.76 2.05 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 1.57 0.83 0.95 0.00 0.00 60 E 8.46 4.06 0.00 2.02 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 2.35 2.61 0.00 61 R 8.17 4.00 0.00 2.12 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.36 3.77 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.61 0.97 0.00 0.00 63 L 8.05 4.02 0.00 2.10 1.79 0.95 1.01 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 64 F 8.21 4.35 0.00 2.96 3.32 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 65 L 8.02 4.58 0.00 1.88 1.63 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.93 0.00 2.08 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 2.15 2.26 0.00 67 G 8.26 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.55 0.00 1.59 1.62 0.92 0.98 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 69 P 0.00 4.37 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.54 4.69 0.00 2.60 2.72 0.00 0.00 7.07 7.96 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 71 L 8.30 4.62 0.00 1.63 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.53 4.10 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.08 4.66 0.00 2.68 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 74 L 8.30 4.57 0.00 1.52 1.51 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.43 3.83 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 0.00 0.00 0.00 76 K 8.30 4.12 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.31 4.22 0.00 1.64 1.55 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.67 4.83 0.00 2.62 2.69 0.00 0.00 7.21 7.31 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 79 I 8.34 3.79 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.94 0.00 0.00 80 G 8.22 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 0.00 0.00 0.00 0.00 81 E 8.77 4.78 0.00 1.99 2.05 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 2.26 2.30 0.00 82 D 7.71 4.98 0.00 2.78 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 83 V 8.50 4.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.30 0.00 0.00 84 E 8.19 3.86 0.00 2.01 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 2.34 2.29 0.00 85 E 8.44 3.95 0.00 2.37 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 0.00 2.34 2.34 0.00 86 M 8.37 4.22 0.00 2.20 1.82 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.05 0.00 87 L 8.34 4.17 0.00 2.07 1.77 1.27 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.31 3.97 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 89 S 8.14 4.13 0.00 4.03 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 90 D 8.18 4.21 0.00 3.12 2.76 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 91 L 8.13 3.98 0.00 1.91 1.89 0.98 0.85 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 92 A 8.37 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 93 L 7.95 3.92 0.00 1.87 1.82 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.42 4.07 0.00 2.30 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 2.63 2.73 0.00 95 L 8.18 4.02 0.00 2.05 1.74 0.96 1.13 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 96 D 8.30 4.49 0.00 2.86 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 97 G 8.34 3.64 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 0.00 0.00 0.00 98 A 8.45 4.07 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 99 K 8.05 3.84 0.00 2.05 2.05 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.15 4.41 0.00 3.01 2.90 0.00 0.00 7.10 6.78 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 0.00 101 L 8.05 4.00 0.00 2.00 1.74 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.13 3.89 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.06 3.85 0.00 2.09 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 2.38 2.39 0.00 104 A 7.74 2.81 1.10 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 0.00 105 I 8.02 3.72 1.85 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 1.46 1.49 0.91 0.00 0.00 106 G 7.68 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 0.00 107 Y 7.93 4.10 0.00 3.14 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 0.00 108 A 8.21 3.82 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 0.00 109 D 7.79 4.12 0.00 2.82 2.81 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 0.00 0.00 0.00 110 S 7.50 4.09 0.00 3.97 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 0.00 111 V 6.81 3.96 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 0.47 0.00 0.00 0.62 0.00 0.00 112 H 7.01 2.76 0.00 3.15 3.23 0.00 5.84 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 0.00 113 D 7.43 4.50 0.00 2.61 2.46 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 0.00 114 Y 7.60 4.38 0.00 3.10 2.94 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 0.00 0.00 0.00 115 V 7.86 3.73 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 0.89 0.00 0.00 0.96 0.00 0.00 116 S 8.22 4.14 0.00 3.99 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 0.00 117 R 7.97 3.88 0.00 1.91 2.24 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.35 4.30 0.00 2.98 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 0.00 119 M 8.20 3.95 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 120 M 8.30 4.14 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.81 0.00 121 I 8.14 3.74 1.88 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 1.53 1.08 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.20 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 2.31 2.47 0.00 123 I 7.67 3.51 1.90 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.72 0.00 0.00 124 L 8.12 3.93 0.00 1.86 1.88 0.95 0.76 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 0.00 125 R 8.07 3.88 0.00 2.04 2.12 0.00 3.15 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 1.63 1.69 0.00 126 D 8.01 4.35 0.00 3.02 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 0.00 127 E 8.37 4.01 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 128 E 8.76 4.37 0.00 2.01 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 2.53 0.00 129 G 7.92 3.64 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 0.00 0.00 0.00 130 H 8.37 4.57 0.00 3.55 3.63 0.00 5.66 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 8.39 3.82 2.10 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 1.50 0.90 0.97 0.00 0.00 132 D 8.37 4.36 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.36 4.13 0.00 3.56 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 8.23 3.73 0.00 2.02 1.74 1.35 1.30 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 0.00 135 E 8.39 3.93 0.00 2.13 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 2.34 2.55 0.00 136 T 7.86 3.78 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 137 E 7.58 3.76 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.66 3.76 0.00 1.72 1.61 0.88 0.87 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 0.00 139 D 8.03 4.38 0.00 2.79 2.66 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 0.00 140 L 8.01 4.01 0.00 1.88 1.85 0.98 0.71 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 0.00 141 I 7.32 3.39 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.11 0.72 0.00 0.00 142 Q 7.34 3.98 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 143 K 7.97 4.13 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 144 M 8.17 4.37 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.89 0.00 145 G 7.55 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.35 3.98 0.00 1.75 1.67 0.97 0.69 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 0.00 147 Q 8.08 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.13 4.34 0.00 2.98 2.89 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 7.96 3.99 0.00 3.02 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 0.00 150 L 8.52 4.06 0.00 2.02 1.70 1.06 0.82 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 0.00 151 Q 8.17 3.95 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.65 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 7.72 4.26 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 154 I 7.24 4.22 1.87 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 1.50 1.46 0.94 0.00 0.00 155 R 7.56 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 156 E 8.49 4.11 0.00 2.08 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 2.26 2.27 0.00 157 E 8.47 4.10 0.00 1.95 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 2.26 2.30 0.00 *158 G 8.55 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 * Residues marked with a * may have inaccurate shift predictions.