NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2077 8.1633 120.2870 54.6961 33.1569 174.2115 2 K 4.0325 8.4966 126.3690 56.1740 32.4648 175.7705 3 G 3.9410 8.6932 113.7041 44.8568 0.0000 171.9888 4 D 4.5521 8.4831 119.6492 54.4331 41.9193 176.9795 5 T 3.8628 8.9167 122.9652 66.9021 68.5782 176.6161 6 K 3.8471 8.1752 120.8483 59.0996 32.2212 178.8749 7 V 3.9011 8.5843 118.9533 66.1687 31.4277 177.8852 8 I 3.7380 7.7267 119.3574 64.6670 36.9182 178.0805 9 N 4.2378 8.2583 117.0728 56.4531 38.3388 177.0115 10 Y 4.1084 7.9846 118.0024 61.1994 38.0149 178.7008 11 L 3.9376 8.6176 120.0959 57.9494 41.6194 179.4685 12 N 4.3529 8.4642 116.7151 55.9673 38.4356 177.4562 13 K 3.8691 8.2999 121.5424 59.4043 32.3349 178.9147 14 L 3.8266 8.1987 119.6256 57.6309 41.3837 179.0244 15 L 4.0259 7.8288 120.7679 58.1699 41.9240 179.2383 16 G 3.6235 8.1965 105.7582 47.9152 0.0000 175.2946 17 N 4.3469 8.0137 119.0605 56.1176 38.6114 177.3609 18 E 4.0773 8.3174 119.8240 59.3961 29.4476 179.2676 19 L 3.9984 8.2261 119.2833 57.8262 41.6290 179.7799 20 V 3.5875 7.7620 117.5756 66.0860 31.5387 177.8824 21 A 3.8687 8.1982 120.5241 55.0721 18.1530 179.4535 22 I 3.7543 8.3851 118.6315 64.8688 37.1874 178.4440 23 N 4.3813 7.9086 117.0798 56.4071 38.3952 177.4119 24 Q 3.8359 8.2903 121.1671 59.3379 29.0693 177.9138 25 Y 4.3481 8.5100 118.2850 60.9216 37.9163 178.0303 26 F 3.8102 8.5739 121.7042 61.0866 39.5084 176.7760 27 L 3.9752 8.2820 120.0917 58.5983 41.8358 178.4435 28 H 3.8319 8.2363 115.7861 58.8117 28.6494 177.2020 29 A 4.1741 8.3036 122.7472 55.7508 18.1119 179.9373 30 R 3.9102 7.8460 115.4989 58.7087 30.1437 179.2931 31 M 3.6017 7.8059 119.2481 58.2050 31.8917 178.3942 32 F 4.5843 7.7347 118.2686 60.6681 39.1236 177.6641 33 K 3.9424 8.1562 119.0499 59.5655 31.7913 178.2628 34 N 4.2958 8.0460 116.1835 56.8242 38.9802 176.6177 35 F 4.7645 8.2327 118.1010 59.0358 38.9613 176.4801 36 G 3.9844 8.0886 106.2473 45.8709 0.0000 175.2461 37 L 4.4837 8.0344 122.1531 52.5983 38.2481 176.8825 38 K 3.8210 7.9427 123.0088 59.9031 32.6048 177.5464 39 R 3.9296 8.3003 118.9686 59.2805 29.9660 178.4702 40 L 4.1089 7.9108 118.8956 57.3335 41.4475 178.8460 41 N 4.5764 8.1764 116.7835 56.7753 39.0038 176.4940 42 D 4.3087 8.0838 120.2330 57.3737 41.0965 178.9678 43 V 3.3583 7.6055 118.4005 66.0936 31.4175 177.9721 44 E 3.8339 8.3462 118.3844 59.2222 29.2818 178.5910 45 Y 3.8072 8.2128 119.9075 61.1391 38.6311 178.0526 46 H 4.2041 8.2980 115.9971 57.8735 28.6996 177.1996 47 E 3.7430 7.5190 120.3600 58.1695 29.5063 178.3571 48 S 4.0787 7.8308 113.6116 61.5582 62.4176 176.2428 49 I 3.5564 7.3120 122.2828 64.3701 36.8223 177.8257 50 D 4.1934 7.4836 118.4007 57.5205 40.9869 178.3103 51 E 4.0826 8.1366 118.8577 59.2967 29.3124 179.2653 52 M 4.0602 8.0032 119.0941 58.3397 32.0403 178.6862 53 K 3.8827 8.0963 118.6070 59.8106 32.1962 179.1118 54 H 4.1002 8.0214 115.9547 58.7507 28.6227 177.4771 55 A 4.2369 8.3563 122.9290 55.4508 18.2052 178.9706 56 D 4.3156 8.3749 116.6033 57.8023 41.2419 178.8441 57 R 3.8909 7.8791 118.3191 59.3872 29.9906 178.7036 58 Y 4.3014 7.9182 116.4878 61.2423 37.9149 178.6208 59 I 3.8016 8.2985 121.1272 64.5789 37.1506 178.4316 60 E 4.0735 8.4478 119.4685 59.1780 29.1977 179.4271 61 R 4.0363 8.1618 118.9027 59.5189 30.1859 178.5185 62 I 3.7711 8.5010 119.9599 64.5366 37.1471 178.4300 63 L 4.0438 8.0860 119.7258 57.6938 41.2167 179.3469 64 F 4.4087 8.2078 119.7579 61.2904 39.7225 176.4942 65 L 4.5679 8.1544 117.7533 53.9598 41.1470 177.2734 66 E 3.8844 7.9523 117.5805 57.3351 27.0680 174.6584 67 G 3.8996 8.1546 108.9467 44.2457 0.0000 173.8704 68 L 4.5122 7.9980 119.1699 52.0007 41.7976 175.0576 69 P 4.3747 0.0000 0.0000 62.5785 31.7549 176.0551 70 N 4.7201 9.4454 122.2377 52.4111 38.7550 173.8333 71 L 4.6328 8.3322 124.1532 54.5555 42.4325 177.4649 72 Q 4.1480 8.6031 122.2560 58.0953 29.3985 175.9525 73 D 4.6711 8.0403 116.8591 52.9497 41.9220 175.2768 74 L 4.5923 8.2822 125.2251 52.8039 44.1680 176.5822 75 G 3.8140 8.4412 115.3817 44.5995 0.0000 171.8891 76 K 4.0811 8.3202 120.7742 55.8345 32.3860 176.6643 77 L 4.1096 8.3671 126.8449 54.3943 42.3027 176.0189 78 N 4.8325 8.8807 121.1915 52.1067 40.2873 174.0453 79 I 3.9250 8.5746 126.6605 63.7482 37.9003 177.9556 80 G 4.1716 8.1229 102.6992 45.8074 0.0000 172.5090 81 E 4.5915 8.6738 117.2103 56.2509 31.9524 176.8138 82 D 5.0944 7.6775 117.1351 50.9034 43.3887 176.7794 83 V 3.9593 8.4522 119.3478 66.6811 31.2996 177.5785 84 E 3.8436 8.2042 117.8995 59.4941 29.5164 178.2201 85 E 3.9718 8.4031 119.3136 59.5349 29.6236 178.7092 86 M 4.0854 8.2731 117.1188 58.2327 31.4203 178.5985 87 L 4.1523 8.4538 120.5397 57.6335 41.7623 179.4703 88 R 3.9159 8.4500 119.1214 59.3459 30.0827 178.5646 89 S 4.0967 8.1157 113.1616 61.3711 62.3899 175.8295 90 D 4.2175 8.1601 121.6653 57.1216 40.5022 178.4776 91 L 3.9762 8.1830 120.5829 58.2695 42.1776 178.7859 92 A 3.9890 8.1860 120.7607 55.2445 18.2593 179.4090 93 L 3.9351 7.8817 118.5278 58.1389 42.0619 178.8444 94 E 4.0493 8.2707 119.4687 59.1673 29.7483 178.6921 95 L 4.0271 8.2063 119.2467 58.0381 41.8249 179.3127 96 D 4.5282 8.3658 118.9612 57.1796 40.7204 179.0999 97 G 3.6377 8.3585 106.2782 47.6351 0.0000 175.7169 98 A 4.0773 8.4449 123.5426 54.6056 18.4728 179.5663 99 K 3.8527 7.9613 117.7795 59.9727 32.2429 178.8344 100 N 4.4368 8.0841 116.2168 56.1592 38.3076 177.4786 101 L 3.9792 8.0295 120.4534 57.8806 41.6479 179.6357 102 R 3.8957 8.2229 118.2264 59.2540 29.9570 178.7908 103 E 3.8570 8.0887 118.3806 59.2341 29.6058 178.7160 104 A 2.7924 7.9477 121.0322 54.7714 18.3935 179.6358 105 I 3.7098 8.0298 118.7919 64.4750 36.9430 178.9165 106 G 3.5909 7.6049 105.3350 47.8351 0.0000 174.9158 107 Y 4.1042 7.6845 121.3043 60.3155 38.9015 177.3493 108 A 3.8062 8.2030 122.0863 55.2773 18.3916 179.0182 109 D 4.0686 7.8977 116.4483 57.4414 41.1062 178.5147 110 S 4.1745 7.5145 112.8501 60.0682 63.2761 175.6839 111 V 4.0229 6.8427 113.8907 60.7568 31.6556 175.6253 112 H 2.7855 7.1418 114.2089 56.5860 27.0690 176.4741 113 D 4.5595 7.3837 121.0943 53.6118 37.4990 176.2575 114 Y 4.3177 7.4843 121.4702 60.6685 38.4218 178.2713 115 V 3.7235 7.8915 119.9737 64.7993 31.7044 178.3679 116 S 4.1603 8.3792 115.8515 61.3782 62.6409 176.6922 117 R 3.8750 8.0118 121.2434 59.4007 29.9835 177.9612 118 D 4.3085 8.4396 118.1366 57.6257 41.3003 177.7161 119 M 3.9704 8.2218 118.7329 59.2149 32.1131 178.1590 120 M 4.1512 8.2407 118.6970 58.4060 32.1025 178.8518 121 I 3.7239 8.2809 120.5581 64.2450 37.2384 178.3122 122 E 3.9671 8.1089 119.2403 59.4813 29.2428 179.4646 123 I 3.5469 7.6156 119.7036 64.0859 37.1155 178.1667 124 L 3.9172 8.1403 121.4209 58.1559 41.9250 178.7655 125 R 3.8877 8.0148 118.5398 59.8473 30.0662 178.1112 126 D 4.3439 8.0724 118.3377 57.4186 40.7116 178.7292 127 E 3.9521 8.3220 119.2477 59.4328 29.3998 179.1628 128 E 4.1324 8.8151 119.2376 59.1840 29.4641 179.5651 129 G 3.7241 8.0847 105.8172 48.2810 0.0000 175.3806 130 H 4.4368 8.0828 118.7330 58.5492 28.6832 177.8067 131 I 3.8092 8.2659 121.9768 64.5550 37.0143 177.6292 132 D 4.4002 8.4648 118.9985 57.2844 41.0105 178.2730 133 W 4.1377 8.3782 128.4303 60.4992 30.8158 177.6909 134 L 3.7668 8.5668 119.2188 57.9394 41.1488 179.3933 135 E 3.9278 8.4900 118.5949 59.7378 29.3292 179.5838 136 T 3.7846 7.8663 115.5435 66.6415 68.4961 176.4171 137 E 3.7590 7.6542 120.2712 59.4645 29.1366 179.5463 138 L 3.7671 7.7092 118.7721 57.7663 41.5340 179.3968 139 D 4.2940 8.1444 118.9440 57.1156 40.6711 178.6068 140 L 3.9734 8.1123 119.9157 57.9011 41.7148 179.5119 141 I 3.4658 7.5048 119.5793 64.5072 36.7494 178.5567 142 Q 3.9419 7.4012 117.2276 58.8798 28.6295 178.6314 143 K 4.1400 8.1802 119.0895 58.9687 32.3015 178.5215 144 M 4.3571 8.4324 114.9109 54.0842 32.4741 177.2135 145 G 4.1070 7.5624 105.7154 45.9595 0.0000 174.3111 146 L 3.9661 8.4750 121.7440 58.0874 42.1266 179.3978 147 Q 4.0053 8.0725 117.3349 59.3367 28.8773 178.6743 148 N 4.3801 8.1465 116.7891 56.2592 38.3650 176.7189 149 Y 3.9761 7.9609 120.2310 60.5839 39.1693 177.8236 150 L 4.0668 8.3467 120.1981 58.0457 41.7032 179.1386 151 Q 3.9499 8.1025 119.0627 59.3140 28.6744 178.0320 152 A 4.1697 7.5574 118.9206 53.4060 18.6923 178.2087 153 Q 4.3228 7.9084 116.2349 55.3802 29.1837 177.5814 154 I 3.8388 7.3487 121.7560 63.9768 37.3698 176.6699 155 R 4.5942 7.5261 117.2509 54.1097 31.8006 176.0253 156 E 4.1435 8.3646 118.7178 55.9198 30.5426 175.8584 157 E 4.0717 8.5181 121.9989 55.3783 30.4262 176.5923 *158 G 3.7285 8.6060 114.1816 45.8873 0.0000 172.1573 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 4.21 0.00 1.46 1.78 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.50 4.03 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.69 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 4 D 8.48 4.55 0.00 2.77 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 5 T 8.92 3.86 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 8.18 3.85 0.00 1.72 1.91 0.00 1.41 0.00 0.00 0.93 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.87 1.06 7.81 7 V 8.58 3.90 2.37 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 1.16 0.00 0.00 1.19 0.00 0.00 8 I 7.73 3.74 2.05 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 0.68 0.92 0.00 0.00 9 N 8.26 4.24 0.00 2.59 2.67 0.00 0.00 7.07 7.09 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 10 Y 7.98 4.11 0.00 3.22 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 8.62 3.94 0.00 2.00 1.77 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.46 4.35 0.00 2.88 2.81 0.00 0.00 6.65 8.99 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 13 K 8.30 3.87 0.00 1.77 1.95 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.20 3.83 0.00 0.91 1.19 0.94 0.53 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 7.83 4.03 0.00 1.68 1.83 1.02 1.13 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 16 G 8.20 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 8.01 4.35 0.00 2.98 2.92 0.00 0.00 7.08 7.82 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 18 E 8.32 4.08 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 2.78 2.90 0.00 19 L 8.23 4.00 0.00 1.93 1.73 0.95 1.17 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 20 V 7.76 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 0.93 0.00 0.00 21 A 8.20 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 8.39 3.75 2.11 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 1.71 0.77 0.91 0.00 0.00 23 N 7.91 4.38 0.00 2.85 2.86 0.00 0.00 6.75 7.98 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 24 Q 8.29 3.84 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 25 Y 8.51 4.35 0.00 3.22 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 26 F 8.57 3.81 0.00 3.41 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.28 3.98 0.00 1.97 1.60 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.24 3.83 0.00 3.53 3.18 0.00 5.72 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 8.30 4.17 1.34 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 0.00 0.00 30 R 7.85 3.91 0.00 1.80 1.93 0.00 3.33 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.82 0.00 31 M 7.81 3.60 0.00 1.37 1.73 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 32 F 7.73 4.58 0.00 3.32 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.16 3.94 0.00 2.08 1.95 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 N 8.05 4.30 0.00 2.73 2.77 0.00 0.00 7.32 7.88 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 35 F 8.23 4.76 0.00 3.32 3.04 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 36 G 8.09 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 8.03 4.48 0.00 2.12 1.62 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.82 0.00 2.04 1.83 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.30 3.93 0.00 2.10 1.99 0.00 3.49 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.91 4.11 0.00 1.68 1.01 1.10 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.58 0.00 3.11 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 8.08 4.31 0.00 2.88 2.74 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 43 V 7.61 3.36 1.83 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 -0.54 0.00 0.00 0.72 0.00 0.00 44 E 8.35 3.83 0.00 2.31 2.33 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 2.60 3.15 0.00 45 Y 8.21 3.81 0.00 2.93 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 46 H 8.30 4.20 0.00 3.23 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.52 3.74 0.00 1.52 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 1.47 1.85 0.00 48 S 7.83 4.08 0.00 3.89 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 7.31 3.56 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.49 0.84 0.00 0.00 50 D 7.48 4.19 0.00 2.87 2.61 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 51 E 8.14 4.08 0.00 2.24 2.19 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 2.68 2.82 0.00 52 M 8.00 4.06 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 53 K 8.10 3.88 0.00 1.89 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.02 4.10 0.00 3.55 3.34 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 8.36 4.24 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 56 D 8.37 4.32 0.00 2.88 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 7.88 3.89 0.00 1.82 1.78 0.00 3.13 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 1.76 0.00 58 Y 7.92 4.30 0.00 3.23 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 8.30 3.80 2.05 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 0.91 0.95 0.00 0.00 60 E 8.45 4.07 0.00 2.04 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 2.62 0.00 61 R 8.16 4.04 0.00 2.14 2.22 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.50 3.77 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.99 0.00 0.00 63 L 8.09 4.04 0.00 2.11 1.80 0.95 0.97 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 4.41 0.00 3.00 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 65 L 8.15 4.57 0.00 1.70 1.60 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.95 3.88 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 2.17 2.27 0.00 67 G 8.15 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 68 L 8.00 4.51 0.00 1.60 1.63 0.92 0.99 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 69 P 0.00 4.37 0.00 2.06 2.03 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 2.12 0.00 70 N 9.45 4.72 0.00 2.59 2.80 0.00 0.00 7.08 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 71 L 8.33 4.63 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 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.60 4.15 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.04 4.67 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 8.28 4.59 0.00 1.52 1.50 0.91 1.09 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 8.44 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 8.32 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 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.37 4.11 0.00 1.64 1.55 0.90 0.97 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 78 N 8.88 4.83 0.00 2.62 2.68 0.00 0.00 7.19 7.29 0.00 0.00 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 8.57 3.93 1.88 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 0.94 0.93 0.00 0.00 80 G 8.12 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 8.67 4.59 0.00 1.98 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 2.25 2.29 0.00 82 D 7.68 5.09 0.00 2.84 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 83 V 8.45 3.96 2.19 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 1.26 0.00 0.00 1.22 0.00 0.00 84 E 8.20 3.84 0.00 2.01 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 0.00 2.32 2.26 0.00 85 E 8.40 3.97 0.00 2.29 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 2.33 2.34 0.00 86 M 8.27 4.09 0.00 2.22 1.78 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.91 0.00 87 L 8.45 4.15 0.00 2.02 1.77 1.27 0.62 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 88 R 8.45 3.92 0.00 2.11 1.93 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.12 4.10 0.00 4.07 4.06 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 90 D 8.16 4.22 0.00 3.12 2.74 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 91 L 8.18 3.98 0.00 1.83 1.89 0.98 0.88 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 8.19 3.99 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 7.88 3.94 0.00 1.86 1.82 0.90 0.57 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 8.27 4.05 0.00 2.47 2.19 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 2.50 2.53 0.00 95 L 8.21 4.03 0.00 2.09 1.73 0.96 1.09 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 96 D 8.37 4.53 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 8.36 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 8.44 4.08 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 99 K 7.96 3.85 0.00 2.05 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.08 4.44 0.00 2.88 2.91 0.00 0.00 7.11 6.01 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 0.00 101 L 8.03 3.98 0.00 2.02 1.74 0.98 0.91 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 8.22 3.90 0.00 1.97 1.99 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 8.09 3.86 0.00 2.19 2.11 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 2.36 2.38 0.00 104 A 7.95 2.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.03 3.71 2.03 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 1.00 0.91 0.00 0.00 106 G 7.60 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 7.68 4.10 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.20 3.81 1.34 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 0.00 0.00 109 D 7.90 4.07 0.00 2.86 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 7.51 4.17 0.00 3.96 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 0.00 111 V 6.84 4.02 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 0.57 0.00 0.00 0.64 0.00 0.00 112 H 7.14 2.79 0.00 3.15 3.32 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 7.38 4.56 0.00 2.64 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 7.48 4.32 0.00 3.09 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 0.00 115 V 7.89 3.72 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 0.91 0.00 0.00 0.98 0.00 0.00 116 S 8.38 4.16 0.00 4.18 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 8.01 3.87 0.00 1.91 2.21 0.00 3.32 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 1.68 1.67 0.00 118 D 8.44 4.31 0.00 2.98 2.83 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 0.00 119 M 8.22 3.97 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 120 M 8.24 4.15 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.13 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 8.28 3.72 2.00 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 1.01 0.91 0.00 0.00 122 E 8.11 3.97 0.00 2.17 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 2.32 2.34 0.00 123 I 7.62 3.55 1.92 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.75 0.00 0.00 124 L 8.14 3.92 0.00 1.84 1.85 0.95 1.16 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 8.01 3.89 0.00 2.01 2.15 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 8.07 4.34 0.00 2.98 2.70 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 0.00 127 E 8.32 3.95 0.00 2.13 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 2.62 2.55 0.00 128 E 8.82 4.13 0.00 2.10 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 2.36 0.00 129 G 8.08 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.08 4.44 0.00 3.54 3.56 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 8.27 3.81 2.11 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 0.92 0.97 0.00 0.00 132 D 8.46 4.40 0.00 2.90 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 0.00 133 W 8.38 4.14 0.00 3.55 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 8.57 3.77 0.00 2.11 1.77 1.34 1.31 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 0.00 135 E 8.49 3.93 0.00 2.12 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 0.00 2.33 2.52 0.00 136 T 7.87 3.78 4.20 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 0.00 0.00 1.16 0.00 0.00 137 E 7.65 3.76 0.00 1.57 1.65 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 1.47 1.47 0.00 138 L 7.71 3.77 0.00 1.73 1.61 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.14 4.29 0.00 2.76 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 8.11 3.97 0.00 1.87 1.85 0.95 0.85 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 7.50 3.47 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.04 0.71 0.00 0.00 142 Q 7.40 3.94 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 8.18 4.14 0.00 1.69 1.86 0.00 1.68 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 1.45 1.61 7.81 144 M 8.43 4.36 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 145 G 7.56 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 0.00 0.00 0.00 0.00 146 L 8.48 3.97 0.00 1.75 1.68 0.95 0.73 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 8.07 4.01 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.38 0.00 2.97 2.88 0.00 0.00 6.67 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.96 3.98 0.00 3.01 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 0.00 150 L 8.35 4.07 0.00 2.05 1.70 1.07 0.72 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 0.00 151 Q 8.10 3.95 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 2.38 0.00 152 A 7.56 4.17 1.24 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 0.00 0.00 153 Q 7.91 4.32 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 154 I 7.35 3.84 1.97 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 1.30 0.44 0.90 0.00 0.00 155 R 7.53 4.59 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.36 4.14 0.00 2.08 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 2.26 2.28 0.00 157 E 8.52 4.07 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 2.27 2.30 0.00 *158 G 8.61 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.