NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1451 8.1627 120.2813 54.8171 33.2518 173.8997 2 K 3.9685 8.4452 128.0545 55.7981 32.5045 175.1169 3 G 3.9524 8.7448 115.9546 45.2221 0.0000 171.5633 4 D 4.5700 8.5037 119.7562 54.4157 42.0411 177.2202 5 T 3.8809 8.7996 122.6381 66.7714 68.6112 176.8454 6 K 3.8605 8.1715 121.0213 59.0563 32.2129 178.8880 7 V 3.8994 8.6216 119.0504 66.1736 31.4526 177.8629 8 I 3.7483 7.6955 119.2238 64.7086 36.9066 178.0883 9 N 4.2664 8.2093 117.0155 56.4571 38.3071 177.0831 10 Y 4.0972 7.9982 118.0276 61.1318 37.9707 178.5957 11 L 3.9277 8.4947 120.2786 57.9477 41.6500 179.4342 12 N 4.3341 8.5544 116.8316 56.0220 38.4337 177.4705 13 K 3.8849 8.1595 121.3270 59.2926 32.3024 178.9270 14 L 3.8038 8.1736 119.7237 57.5890 41.3861 178.9831 15 L 4.0127 7.7558 120.7640 58.2983 42.0376 179.2576 16 G 3.6192 8.1404 105.5373 47.9386 0.0000 175.3797 17 N 4.3866 8.0253 118.7602 56.1612 38.5865 177.4314 18 E 4.1114 8.2471 120.0002 59.3693 29.4449 179.3140 19 L 4.0480 8.2735 119.3840 57.6908 41.5919 179.7455 20 V 3.5594 7.7462 117.5281 66.0593 31.5002 177.9394 21 A 3.8288 8.0976 120.4234 55.0256 18.2010 179.3412 22 I 3.7590 8.3382 118.7311 64.9812 37.2839 178.3838 23 N 4.3960 7.9252 117.0055 56.3867 38.4122 177.4281 24 Q 3.8493 8.2700 121.1482 59.3410 29.1027 177.8635 25 Y 4.3640 8.4000 118.3143 60.9311 37.8975 178.1850 26 F 3.8316 8.5129 121.6808 61.0409 39.5030 176.8440 27 L 3.9464 8.1523 119.9633 58.5524 41.8526 178.4162 28 H 3.7872 8.1505 115.7532 58.8421 28.6448 177.2397 29 A 4.1419 8.3148 122.6551 55.6706 18.1558 179.8761 30 R 3.8662 7.7954 115.4716 58.5879 30.0855 179.2518 31 M 3.4250 7.8386 119.4209 58.1281 31.8506 178.4374 32 F 4.5505 7.4203 117.8830 60.5815 39.1296 177.5701 33 K 3.9038 8.2091 119.1569 59.5738 31.7613 178.1779 34 N 4.2818 7.8877 115.8725 56.5764 39.0179 176.4540 35 W 4.7427 7.9301 117.6746 57.5844 29.3409 177.2121 36 G 3.9789 8.3140 108.0153 46.2621 0.0000 174.3084 37 L 4.6716 8.0503 121.8611 52.7604 38.1915 177.0438 38 K 3.8268 7.9447 123.0704 59.8922 32.6756 177.5626 39 R 3.9362 8.2897 118.9161 59.1431 29.9014 178.3492 40 L 4.1012 7.9081 118.8857 57.0630 41.5350 178.7853 41 N 4.5282 8.1553 116.8096 56.8166 39.0391 176.3755 42 D 4.3257 7.9908 120.1994 57.4185 40.9482 179.1183 43 V 3.4470 7.6567 118.2410 66.1366 31.4862 177.9886 44 E 3.8983 8.4898 118.5503 59.2514 29.2752 178.6610 45 Y 3.8563 8.1904 119.7870 61.1707 38.8022 178.1247 46 H 4.2033 8.3368 116.4515 58.3318 28.6880 177.4910 47 E 3.7137 7.7723 120.7721 58.4844 29.2272 178.7824 48 S 4.1013 7.8750 113.5830 61.5762 62.4276 176.2491 49 I 3.5766 7.3502 122.2694 64.3599 36.7846 177.9434 50 D 4.2623 7.6751 119.4771 57.7094 40.6970 179.0372 51 E 4.1945 8.1593 118.6767 59.4289 29.3181 179.3764 52 M 4.0735 8.0382 118.9881 58.3772 32.0308 178.8378 53 K 3.9292 8.1659 118.6607 59.6946 32.1738 179.1322 54 H 4.1021 8.1373 116.2078 58.7805 28.5913 177.5305 55 A 4.2237 8.4778 122.9787 55.3543 18.1354 179.0069 56 D 4.3034 8.3188 116.5165 57.7556 41.2771 178.7856 57 R 3.8686 7.9243 118.3684 59.4624 30.0137 178.7281 58 Y 4.2940 7.8692 116.4727 61.1720 37.8861 178.5686 59 I 3.7970 8.2665 121.1146 64.6065 37.2315 178.4369 60 E 4.0805 8.5431 119.5975 59.1103 29.1755 179.4956 61 R 4.0245 8.0209 118.9024 59.5599 30.1879 178.3911 62 I 3.7699 8.4363 119.9578 64.6650 37.1589 178.4203 63 L 4.0232 8.0685 119.6131 57.6944 41.2037 179.3836 64 F 4.3671 8.1572 119.7892 61.2164 39.6997 176.5249 65 L 4.3849 8.1968 117.8022 54.0159 41.1455 177.1869 66 E 3.9135 7.9665 117.6257 57.4277 27.0216 174.4434 67 G 3.9736 8.1132 108.7098 44.0001 0.0000 173.5996 68 L 4.5361 8.0210 119.1635 51.9993 42.0775 175.0794 69 P 4.3925 0.0000 0.0000 62.5289 31.7798 175.9504 70 N 4.7364 9.4632 122.1101 52.3866 38.9370 173.9281 71 L 4.6423 8.3553 124.2259 54.5642 42.5420 177.4022 72 Q 4.1253 8.5217 121.9455 58.0376 29.3773 175.8683 73 D 4.6465 8.0614 117.3930 52.8746 41.7881 175.2175 74 L 4.5688 8.3101 125.8552 52.7471 43.9592 176.4405 75 G 3.8066 8.4315 115.4340 44.6382 0.0000 171.8770 76 K 4.0799 8.3123 120.7499 55.8321 32.3724 176.6719 77 L 4.1068 8.3348 126.7378 54.4905 42.2760 176.3093 78 N 4.8084 8.8716 120.6146 51.9917 40.1484 174.3792 79 I 3.8414 8.4855 126.4954 64.1188 37.7085 178.2588 80 G 4.1656 8.2481 102.2362 45.8587 0.0000 172.5735 81 E 4.7901 8.5808 115.9998 55.5332 31.8842 176.3574 82 D 5.0157 7.7215 117.7297 50.3763 43.9813 175.9415 83 V 3.9943 8.5345 119.0865 66.7093 31.3154 177.4600 84 E 3.8615 8.2551 117.9084 59.5705 29.4857 178.3364 85 E 3.9936 8.5648 119.2446 59.5350 29.6541 178.6989 86 M 4.1256 8.3711 117.2432 58.2378 31.3593 178.6087 87 L 4.1304 8.5189 120.5639 57.6235 41.7509 179.4024 88 R 3.8911 8.4853 119.1422 59.4333 30.0540 178.5698 89 S 4.0978 8.1901 113.0514 61.3504 62.4154 175.7957 90 D 4.2327 8.1688 121.6950 57.1558 40.5555 178.4905 91 L 3.9943 8.2306 120.6392 58.2733 42.1679 178.8234 92 A 4.0098 8.2202 120.8035 55.1782 18.2483 179.4113 93 L 3.9400 7.9109 118.6415 58.2282 42.1163 179.0653 94 E 4.0596 8.3755 118.6365 59.3558 29.5446 179.1877 95 L 4.0346 8.1146 119.0557 58.1315 41.8349 179.4592 96 D 4.5246 8.3349 118.8495 57.1858 40.7099 179.0985 97 G 3.6431 8.3227 106.2935 47.5594 0.0000 175.7538 98 A 4.0518 8.5296 123.6095 54.6375 18.4891 179.4659 99 K 3.8269 7.9699 117.8814 59.9921 32.2607 178.6499 100 N 4.3872 8.0692 116.2291 56.3774 38.4053 177.3835 101 L 3.9837 8.1156 120.2811 57.8766 41.5855 179.7842 102 R 3.8977 8.2520 118.2069 59.1084 30.0568 178.7784 103 E 3.8431 8.0755 118.4877 59.2882 29.6253 178.7518 104 A 2.8475 7.8455 120.8705 54.7338 18.3973 179.6015 105 I 3.7041 7.9099 118.5883 64.4983 36.9505 178.8964 106 G 3.5922 7.5804 105.3908 47.8802 0.0000 174.8941 107 Y 4.1807 7.9635 122.5734 59.7385 38.8845 177.3979 108 A 3.8308 8.2113 122.0269 55.2408 18.4536 179.0448 109 D 4.1007 7.9133 116.4423 57.4328 41.3871 178.5021 110 S 4.1578 7.7408 113.9715 60.0770 62.9777 175.6598 111 V 4.0618 6.8190 113.8905 60.7527 31.6319 175.6300 112 H 2.8329 7.0218 114.0303 56.6170 27.0665 176.4601 113 D 4.5412 7.3749 121.1590 53.5324 37.5680 176.2936 114 Y 4.3452 7.4347 121.3502 60.6153 38.4003 178.2673 115 V 3.7382 7.8510 119.9695 64.7124 31.8518 178.3153 116 S 4.1612 8.3389 115.8229 61.4773 62.6042 176.7150 117 R 3.9014 8.1127 121.1778 59.4700 29.9722 178.1136 118 D 4.3015 8.2992 117.9513 57.5251 41.3217 177.7537 119 M 4.0050 8.3431 119.0187 59.0667 32.1289 178.1746 120 M 4.1513 8.2148 118.8069 58.3668 32.1139 178.8336 121 I 3.7228 8.1499 120.4344 64.2398 37.3116 178.2281 122 E 3.9634 8.0644 119.0845 59.5607 29.2445 179.5603 123 I 3.5546 7.5493 119.6118 64.1133 37.1149 178.1422 124 L 3.9281 8.1508 121.4697 58.1559 42.0003 178.9850 125 R 3.8959 8.0331 118.5434 59.6662 30.0658 178.2372 126 D 4.3683 8.0281 118.4021 57.3847 40.7541 178.7132 127 E 3.9527 8.3224 119.3535 59.3241 29.4673 178.9264 128 E 4.1934 8.8103 120.0042 59.0952 29.6243 179.1710 129 G 3.6376 7.9453 105.5583 48.0759 0.0000 175.4535 130 H 4.5682 8.1033 118.7232 58.6639 28.6802 177.7862 131 I 3.7950 8.3477 122.0666 64.5728 36.9876 177.7460 132 D 4.3573 8.3054 118.6532 57.3686 41.0151 178.0157 133 F 4.1903 8.3438 120.9048 61.4051 39.3709 176.9983 134 L 3.7413 8.2327 118.4000 57.8497 41.4947 179.3152 135 E 3.9153 8.3469 118.5312 59.7305 29.3469 179.6485 136 T 3.8065 7.9330 115.5140 66.6428 68.5575 176.3851 137 E 3.8714 7.8008 120.3305 59.5506 29.1898 179.5214 138 L 3.8032 7.8804 118.8642 57.9120 41.5525 179.4320 139 D 4.3900 8.1686 118.7928 57.1898 40.6363 178.7422 140 L 3.9759 8.0569 119.7009 57.7934 41.7093 179.4225 141 I 3.4009 7.4670 119.6840 64.5739 36.7531 178.5211 142 Q 3.9803 7.3721 116.1703 58.7704 28.6467 178.4971 143 K 4.1476 8.2299 119.2302 58.8666 32.2653 178.4174 144 M 4.4030 8.3146 114.5880 53.8940 32.5173 177.0761 145 G 4.1258 7.5628 105.8088 46.0199 0.0000 174.4089 146 L 3.9634 8.4400 121.7566 58.0462 42.1464 179.3480 147 Q 3.9917 8.0846 117.4163 59.3398 28.8764 178.7081 148 N 4.3757 8.1429 116.7736 56.3173 38.3801 176.7266 149 Y 3.9952 8.0280 120.2454 60.5976 39.1422 177.8059 150 L 4.0601 8.4565 120.3145 57.9513 41.6482 179.2250 151 Q 3.8928 8.0989 119.1733 59.1099 28.7203 177.8257 152 A 4.1332 7.5250 119.1701 53.5036 18.7184 178.2755 153 Q 4.2254 7.7931 116.0246 55.7981 29.0691 177.6991 154 I 3.9178 7.2439 121.0467 63.1105 37.4086 176.6064 155 R 4.6310 7.5187 117.4628 53.9122 31.9647 175.9166 156 E 4.1158 8.4048 119.0600 56.0109 30.4795 175.8010 157 E 4.1078 8.4977 121.8426 55.2301 30.5061 176.5071 *158 G 3.7271 8.5979 114.1418 45.8878 0.0000 172.1763 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 4.15 0.00 1.49 1.79 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 2 K 8.45 3.97 0.00 1.84 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.74 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 0.00 0.00 0.00 4 D 8.50 4.57 0.00 2.77 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 T 8.80 3.88 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 1.18 0.00 0.00 6 K 8.17 3.86 0.00 1.71 1.93 0.00 1.45 0.00 0.00 1.09 0.00 0.00 2.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.71 0.99 7.81 7 V 8.62 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 1.13 0.00 0.00 1.19 0.00 0.00 8 I 7.70 3.75 2.04 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 0.54 0.91 0.00 0.00 9 N 8.21 4.27 0.00 2.59 2.67 0.00 0.00 7.08 6.83 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 10 Y 8.00 4.10 0.00 3.23 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 8.49 3.93 0.00 2.01 1.77 1.10 0.80 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 12 N 8.55 4.33 0.00 2.76 2.82 0.00 0.00 6.67 7.59 0.00 0.00 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 8.16 3.88 0.00 1.75 2.01 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.17 3.80 0.00 0.95 1.16 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.76 4.01 0.00 1.69 1.85 1.02 0.99 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 16 G 8.14 3.62 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 0.00 0.00 0.00 17 N 8.03 4.39 0.00 2.97 2.91 0.00 0.00 7.04 7.69 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 18 E 8.25 4.11 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 19 L 8.27 4.05 0.00 1.83 1.72 0.95 1.13 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 20 V 7.75 3.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 21 A 8.10 3.83 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 22 I 8.34 3.76 2.07 0.00 0.00 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 1.56 1.13 0.90 0.00 0.00 23 N 7.93 4.40 0.00 2.84 2.86 0.00 0.00 6.76 7.64 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 24 Q 8.27 3.85 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 25 Y 8.40 4.36 0.00 3.20 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 26 F 8.51 3.83 0.00 3.42 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 27 L 8.15 3.95 0.00 1.96 1.59 0.88 0.87 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 28 H 8.15 3.79 0.00 3.50 3.29 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 8.31 4.14 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 30 R 7.80 3.87 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.76 0.00 31 M 7.84 3.42 0.00 0.86 1.51 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 F 7.42 4.55 0.00 3.29 3.22 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 33 K 8.21 3.90 0.00 2.07 1.93 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 7.89 4.28 0.00 2.68 2.68 0.00 0.00 7.34 7.73 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 35 W 7.93 4.74 0.00 3.72 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 36 G 8.31 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 37 L 8.05 4.67 0.00 2.17 1.65 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.83 0.00 2.02 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.56 7.81 39 R 8.29 3.94 0.00 2.08 1.96 0.00 3.48 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 40 L 7.91 4.10 0.00 1.65 1.03 1.02 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 4.53 0.00 3.09 3.01 0.00 0.00 7.24 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 42 D 7.99 4.33 0.00 2.89 2.75 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 0.00 0.00 0.00 43 V 7.66 3.45 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.81 0.00 0.00 44 E 8.49 3.90 0.00 2.27 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 2.65 3.08 0.00 45 Y 8.19 3.86 0.00 2.94 3.03 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 46 H 8.34 4.20 0.00 3.28 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.77 3.71 0.00 1.21 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 1.76 1.91 0.00 48 S 7.88 4.10 0.00 4.02 3.85 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 49 I 7.35 3.58 1.72 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.85 0.00 0.00 50 D 7.68 4.26 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 51 E 8.16 4.19 0.00 2.20 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 0.00 2.73 2.82 0.00 52 M 8.04 4.07 0.00 2.05 2.23 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 2.80 2.55 0.00 53 K 8.17 3.93 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.64 7.81 54 H 8.14 4.10 0.00 3.53 3.35 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 8.48 4.22 1.44 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 0.00 0.00 56 D 8.32 4.30 0.00 2.90 2.86 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 57 R 7.92 3.87 0.00 1.83 1.78 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 58 Y 7.87 4.29 0.00 3.22 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 59 I 8.27 3.80 2.06 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 0.79 0.95 0.00 0.00 60 E 8.54 4.08 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 2.50 0.00 61 R 8.02 4.02 0.00 2.14 2.22 0.00 3.36 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 1.75 1.86 0.00 62 I 8.44 3.77 1.94 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 1.58 0.78 0.96 0.00 0.00 63 L 8.07 4.02 0.00 2.11 1.80 0.95 1.05 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 8.16 4.37 0.00 2.99 3.36 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 65 L 8.20 4.38 0.00 1.70 1.62 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 3.91 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 8.11 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 68 L 8.02 4.54 0.00 1.60 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 4.39 0.00 2.06 2.02 0.00 3.66 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 2.06 2.11 0.00 70 N 9.46 4.74 0.00 2.58 2.78 0.00 0.00 7.06 7.65 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 71 L 8.36 4.64 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.52 4.13 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.06 4.65 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 74 L 8.31 4.57 0.00 1.52 1.51 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.43 3.81 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 0.00 0.00 0.00 76 K 8.31 4.08 0.00 1.72 1.73 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 8.33 4.11 0.00 1.64 1.55 0.89 0.96 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 78 N 8.87 4.81 0.00 2.61 2.69 0.00 0.00 7.21 7.56 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 79 I 8.49 3.84 1.89 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 1.34 0.92 0.93 0.00 0.00 80 G 8.25 4.17 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 0.00 0.00 0.00 81 E 8.58 4.79 0.00 1.99 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 2.30 0.00 82 D 7.72 5.02 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 8.53 3.99 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.27 0.00 0.00 84 E 8.26 3.86 0.00 2.04 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 2.34 2.29 0.00 85 E 8.56 3.99 0.00 2.31 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 0.00 2.34 2.35 0.00 86 M 8.37 4.13 0.00 2.31 1.77 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 3.04 0.00 87 L 8.52 4.13 0.00 2.04 1.79 1.22 0.67 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 88 R 8.49 3.89 0.00 2.12 1.94 0.00 3.09 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 1.63 1.63 0.00 89 S 8.19 4.10 0.00 4.04 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 90 D 8.17 4.23 0.00 3.10 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 91 L 8.23 3.99 0.00 1.80 1.88 0.97 0.87 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 A 8.22 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.91 3.94 0.00 1.88 1.79 0.90 0.80 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 94 E 8.38 4.06 0.00 2.26 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 2.60 2.70 0.00 95 L 8.11 4.03 0.00 2.04 1.74 0.96 1.02 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 8.33 4.52 0.00 2.85 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 8.32 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 8.53 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 99 K 7.97 3.83 0.00 2.06 2.01 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 8.07 4.39 0.00 3.00 2.91 0.00 0.00 7.13 6.24 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 0.00 101 L 8.12 3.98 0.00 1.99 1.74 0.98 0.95 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 0.00 102 R 8.25 3.90 0.00 1.98 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 1.96 0.00 103 E 8.08 3.84 0.00 2.22 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 2.37 2.37 0.00 104 A 7.85 2.85 1.03 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 0.00 0.00 105 I 7.91 3.70 1.98 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 1.11 0.91 0.00 0.00 106 G 7.58 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.18 0.00 3.15 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 0.00 108 A 8.21 3.83 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 7.91 4.10 0.00 2.88 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 0.00 110 S 7.74 4.16 0.00 3.98 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 0.00 111 V 6.82 4.06 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 0.52 0.00 0.00 0.64 0.00 0.00 112 H 7.02 2.83 0.00 3.18 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.37 4.54 0.00 2.63 2.47 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 0.00 114 Y 7.43 4.35 0.00 3.11 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 7.85 3.74 2.14 0.00 0.00 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 0.98 0.00 0.00 116 S 8.34 4.16 0.00 4.21 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 0.00 117 R 8.11 3.90 0.00 1.91 2.21 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.30 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 8.34 4.00 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 120 M 8.21 4.15 0.00 2.16 2.27 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 2.93 2.81 0.00 121 I 8.15 3.72 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 0.90 0.91 0.00 0.00 122 E 8.06 3.96 0.00 2.28 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 2.32 2.34 0.00 123 I 7.55 3.55 1.92 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.73 0.00 0.00 124 L 8.15 3.93 0.00 1.85 1.87 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.03 3.90 0.00 2.04 2.11 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 1.68 0.00 126 D 8.03 4.37 0.00 2.98 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 8.32 3.95 0.00 2.13 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 2.61 2.51 0.00 128 E 8.81 4.19 0.00 2.24 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 2.33 2.36 0.00 129 G 7.95 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 8.10 4.57 0.00 3.53 3.59 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 8.35 3.80 2.10 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 1.49 0.83 0.96 0.00 0.00 132 D 8.31 4.36 0.00 2.95 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 0.00 133 F 8.34 4.19 0.00 3.26 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.23 3.74 0.00 1.94 1.73 1.28 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.35 3.92 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 2.49 0.00 136 T 7.93 3.81 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 1.20 0.00 0.00 137 E 7.80 3.87 0.00 1.78 1.84 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 1.47 1.77 0.00 138 L 7.88 3.80 0.00 1.73 1.63 0.90 1.08 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 0.00 139 D 8.17 4.39 0.00 2.78 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 0.00 140 L 8.06 3.98 0.00 1.91 1.87 1.01 0.70 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 0.00 141 I 7.47 3.40 1.73 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.13 0.73 0.00 0.00 142 Q 7.37 3.98 0.00 2.12 2.12 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 2.53 2.49 0.00 143 K 8.23 4.15 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 144 M 8.31 4.40 0.00 2.19 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 2.61 2.86 0.00 145 G 7.56 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 0.00 0.00 0.00 0.00 146 L 8.44 3.96 0.00 1.75 1.67 0.96 0.71 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 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.14 4.38 0.00 2.98 2.89 0.00 0.00 6.68 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 8.03 4.00 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 8.46 4.06 0.00 2.01 1.69 1.06 0.90 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 8.10 3.89 0.00 2.11 2.22 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 2.36 0.00 152 A 7.52 4.13 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 0.00 153 Q 7.79 4.23 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.76 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 154 I 7.24 3.92 1.96 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 1.31 0.86 0.90 0.00 0.00 155 R 7.52 4.63 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 156 E 8.40 4.12 0.00 2.06 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 2.26 2.28 0.00 157 E 8.50 4.11 0.00 1.94 1.88 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 2.25 2.29 0.00 *158 G 8.60 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.