NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1786 8.1633 120.2786 54.6647 33.0903 174.1840 2 K 3.9713 8.4983 126.3656 56.2492 32.4201 175.7332 3 G 3.9385 8.6790 113.6092 44.8459 0.0000 171.9503 4 D 4.5312 8.4847 119.8535 54.4273 41.8631 176.8473 5 T 3.8765 8.9765 123.1444 66.9259 68.5098 176.4109 6 K 3.8286 8.1391 120.8227 59.2014 32.2401 178.7590 7 V 3.9187 8.6336 118.8808 66.2185 31.4272 177.8990 8 I 3.7427 7.8414 119.4021 64.6940 36.9063 178.1047 9 N 4.2751 8.2246 117.0432 56.4238 38.3017 177.0761 10 Y 4.0745 8.0476 118.0960 61.1167 38.0240 178.5700 11 L 3.8810 8.4685 120.2321 58.0408 41.6685 179.4747 12 N 4.3914 8.5571 116.7153 55.9797 38.4029 177.4827 13 K 3.8673 8.1578 121.3605 59.3534 32.3168 178.9305 14 L 3.7974 8.1273 119.6803 57.5301 41.3820 178.9350 15 L 3.9886 7.7695 120.7842 58.2674 42.0271 179.0903 16 G 3.7085 8.1711 105.5517 48.1284 0.0000 175.2010 17 N 4.3463 8.0117 118.9603 56.0814 38.5690 177.3911 18 E 3.9982 8.3417 119.9039 59.3809 29.4125 179.3810 19 L 4.0000 8.1725 119.2668 57.6302 41.5530 179.8077 20 V 3.4719 7.6481 117.4245 65.9838 31.5347 177.9057 21 A 3.2314 7.9033 120.5071 54.8134 18.0911 179.3914 22 I 3.5597 7.9710 118.6172 64.8374 37.2162 178.4174 23 N 4.3609 7.7886 116.9336 56.3410 38.3198 177.4217 24 Q 3.8739 8.1815 121.2372 59.4733 29.0790 177.9015 25 Y 4.6117 8.2891 118.2499 60.8624 37.9622 178.0914 26 F 3.8031 8.4536 121.8621 61.0433 39.5384 176.9810 27 L 3.9549 8.2184 120.0352 58.5414 41.8534 178.4807 28 H 3.8318 8.3496 116.0791 58.6921 28.5410 177.4220 29 A 4.0600 8.1022 122.6258 55.5005 18.1830 179.8392 30 R 3.8438 7.6196 115.2409 58.4748 30.1253 179.2361 31 M 3.4524 7.7277 119.2661 58.1690 31.8655 178.3474 32 F 4.6351 7.5607 118.0360 60.6836 39.0346 177.7151 33 K 3.9244 8.2677 119.1122 59.5752 31.8217 178.0885 34 N 4.2424 7.9705 116.1685 56.6674 38.8967 176.1056 35 W 4.8300 7.9670 116.8177 57.0361 29.0647 177.1129 36 G 3.9833 8.5403 108.4813 45.9979 0.0000 174.2837 37 L 4.7362 8.2238 122.7691 52.6355 40.4525 176.9894 38 K 3.8694 8.1505 123.6499 59.6269 32.6105 177.6288 39 R 3.9046 8.1471 118.8034 59.4457 29.9017 178.5280 40 L 4.0550 7.7626 118.3972 57.5019 41.5662 178.6146 41 N 4.4346 8.3327 117.1092 56.8590 38.9028 176.5079 42 D 4.4006 8.1938 120.0866 57.4874 40.9556 179.0695 43 V 3.3635 7.6436 118.3682 65.9441 31.4751 177.6670 44 E 3.8538 8.5351 119.4572 59.3479 29.5072 178.1211 45 Y 3.9427 8.4056 120.0013 61.1021 38.9275 177.7749 46 H 4.1086 8.3845 116.7994 58.2707 28.7930 177.4388 47 E 3.8260 8.1460 121.8505 58.9483 29.4460 178.5515 48 S 4.2246 8.1774 113.3445 61.5629 62.4882 176.2192 49 I 3.5773 7.5583 122.3779 64.4303 36.7716 178.0736 50 D 4.2637 7.9483 119.6166 57.5389 40.5628 178.8396 51 E 4.0674 8.1974 118.6879 59.3070 29.3649 179.2843 52 M 4.0326 7.8659 119.0189 58.2788 31.9924 178.7543 53 K 3.9051 8.0817 118.5943 59.7737 32.2143 179.0959 54 H 4.0998 8.0321 116.1472 58.7779 28.6117 177.5901 55 A 4.2267 8.3309 122.8433 55.3613 18.1655 179.0992 56 D 4.2983 8.2874 116.4713 57.6054 41.2992 178.7367 57 R 3.8606 7.9149 118.4865 59.4068 30.0541 178.6706 58 Y 4.3110 7.8420 116.4115 61.1501 37.9040 178.5589 59 I 3.7540 8.2706 121.0943 64.6901 37.2050 178.3815 60 E 4.0375 8.4089 119.3224 59.3045 29.1664 179.5068 61 R 4.0311 8.1957 118.7787 59.5240 30.1422 178.5417 62 I 3.7629 8.4170 119.9870 64.4631 37.1121 178.4506 63 L 4.0031 8.1540 119.7217 57.7814 41.2612 179.2760 64 F 4.3479 8.4337 119.7895 61.2676 39.6879 176.3877 65 L 4.5179 8.1140 117.6412 53.9389 41.2082 177.2948 66 E 3.8553 8.0198 117.6636 57.2812 27.0455 174.5762 67 G 3.9327 8.0202 108.9367 44.1353 0.0000 173.6461 68 L 4.5316 8.0116 119.2072 52.0017 42.0664 175.0758 69 P 4.3672 0.0000 0.0000 62.5328 31.7716 175.9807 70 N 4.7107 9.6528 122.3644 52.4047 38.7835 174.0081 71 L 4.6092 8.2967 124.2521 54.5267 42.5046 177.5046 72 Q 4.0911 8.5094 121.9276 58.0125 29.3086 175.8048 73 D 4.6758 8.0762 117.4212 52.6162 41.9496 175.2326 74 L 4.5235 8.2910 125.7646 52.6972 43.7674 176.2013 75 G 3.8085 8.4562 115.3691 44.6848 0.0000 171.9633 76 K 4.0353 8.3057 120.6841 56.1198 32.4418 176.5140 77 L 4.2593 8.3011 126.2973 54.4672 42.3920 176.4825 78 N 4.8061 8.7553 120.1053 51.7064 39.1812 172.4813 79 I 4.2485 8.1155 124.2864 59.7317 38.1834 176.6411 80 G 4.0449 8.7722 114.5976 45.1701 0.0000 172.7813 81 E 4.7337 8.6013 117.6822 56.2043 31.0604 176.3829 82 D 4.9057 7.7000 117.9633 50.3109 44.0605 176.0567 83 V 3.9961 8.4144 118.9444 66.5379 31.3662 177.5225 84 E 3.8648 8.1902 118.2027 59.4056 29.5181 178.2229 85 E 3.9810 8.4090 118.9092 59.4407 29.6539 178.7774 86 M 4.0550 8.2324 118.7718 58.4117 32.0007 178.7360 87 L 4.1504 8.2013 119.1196 58.0050 41.7298 179.8254 88 R 3.9281 8.4283 118.4058 59.2130 29.9525 179.1590 89 S 4.1544 8.2342 113.0607 61.3880 62.3689 175.8159 90 D 4.6922 8.4285 121.6945 57.3744 40.5823 178.4759 91 L 3.9432 8.2676 120.6483 58.3387 42.1337 178.9561 92 A 4.0340 8.3454 120.8288 55.0174 18.2701 179.3870 93 L 3.9796 8.0922 118.9856 58.3600 42.1226 179.0979 94 E 4.1182 8.6156 118.7881 59.3588 29.4664 179.3165 95 L 4.0284 8.1770 119.0825 58.0120 41.7874 179.3012 96 D 4.5141 8.3882 118.9675 57.3703 40.6481 179.1919 97 G 3.6376 8.3623 106.0860 47.6191 0.0000 175.6806 98 A 4.0264 8.4861 123.5757 54.6491 18.4864 179.4982 99 K 3.8417 8.0162 118.0299 59.9172 32.3341 178.7220 100 N 4.3873 8.0876 116.3998 56.2677 38.3905 177.2787 101 L 3.9977 8.1660 120.5013 57.9972 41.7506 179.8033 102 R 3.8980 8.2500 118.0755 59.1649 30.0288 178.6786 103 E 3.8275 8.0278 118.2810 59.3131 29.5946 178.7394 104 A 2.9010 7.7112 120.6170 54.8333 18.4202 179.6307 105 I 3.7175 8.0852 118.8374 64.3663 36.9330 178.8883 106 G 3.5926 7.7562 105.5112 47.9805 0.0000 174.8790 107 Y 4.1292 7.9905 122.0553 60.1824 38.8849 177.3752 108 A 3.7810 8.2107 122.1185 55.2922 18.3859 179.0266 109 D 4.1256 7.8178 116.0314 57.4611 41.1167 178.5091 110 S 4.1742 7.5130 112.7576 60.0991 63.2843 175.6575 111 V 3.9793 6.8421 113.9710 60.7571 31.6128 175.6385 112 H 2.7917 7.0857 114.2905 56.5846 26.8761 176.4452 113 D 4.5201 7.2963 121.4655 53.7299 38.0163 176.1010 114 Y 4.3179 7.5450 121.4316 60.5272 38.5102 177.7326 115 V 3.7311 7.8863 113.1809 64.2422 31.7531 178.5146 116 S 4.1969 8.3546 115.0190 61.4768 62.5787 176.6105 117 R 3.8928 8.0237 121.3853 59.5498 29.7729 178.0583 118 D 4.3208 8.3747 117.9398 57.5503 41.3043 177.8195 119 M 3.9996 8.1990 118.6976 59.0395 32.1726 178.1871 120 M 4.1757 8.2189 118.8154 58.2941 32.0683 178.8517 121 I 3.7294 8.1792 120.5731 64.3087 37.2630 178.2064 122 E 3.9742 8.0078 119.2271 59.4981 29.2160 179.5395 123 I 3.5623 7.5776 119.2941 64.1963 37.0653 178.1840 124 L 3.9531 8.1622 121.4034 58.1248 42.0071 178.9897 125 R 3.9049 8.1710 118.6614 59.6190 30.1640 178.2723 126 D 4.4389 8.2078 118.6703 57.4118 40.7972 178.6800 127 E 4.1361 8.4503 119.3361 59.5034 29.4612 179.2328 128 E 4.2647 8.7712 119.2373 59.1884 29.4479 179.5644 129 G 3.6974 8.0922 105.5884 48.1238 0.0000 175.2824 130 H 4.3961 8.2027 120.3258 59.0418 29.8664 177.2517 131 I 3.6950 8.3352 122.1305 64.4786 36.9397 177.7884 132 D 4.3338 8.3657 118.7225 57.0672 41.0061 178.0410 133 W 4.1022 8.2675 128.7376 60.4818 30.7279 177.6277 134 L 3.7751 8.3968 119.0216 58.0376 41.1385 179.3886 135 E 3.8964 8.4605 118.5600 59.7478 29.3044 179.7325 136 T 3.7487 7.8930 115.5481 66.5437 68.5199 176.5010 137 E 3.6787 7.7293 120.6151 59.4205 29.0167 179.4500 138 L 3.7464 7.6895 118.7793 57.8880 41.5655 179.4297 139 D 4.3389 7.9825 118.7620 57.2772 40.6580 178.7622 140 L 3.9510 7.9659 119.7098 57.7394 41.6000 179.5804 141 I 3.3742 7.3493 119.8041 64.3512 36.7406 178.2834 142 Q 3.9149 7.3369 117.9398 58.9891 28.9560 177.8988 143 K 4.1474 8.0621 119.1552 58.6208 32.3154 178.2733 144 M 4.3952 8.3187 114.9421 53.9059 32.5296 177.2423 145 G 4.1104 7.5490 105.5081 45.9690 0.0000 174.4060 146 L 3.9561 8.4036 121.4877 58.0183 42.1843 179.2591 147 Q 3.9780 8.0904 117.4698 59.3404 28.7345 178.7314 148 N 4.3511 8.1304 116.7167 56.3137 38.3815 176.6836 149 Y 3.9217 7.9933 120.1046 60.6091 39.1353 177.8344 150 L 4.0291 8.4127 120.2173 57.9659 41.6650 179.1896 151 Q 3.8829 8.1023 119.1066 59.2187 28.7155 177.9945 152 A 4.0911 7.7476 119.5104 53.6786 18.6908 178.3235 153 Q 4.2264 7.9292 116.3788 55.9265 29.1896 177.2923 154 I 4.1538 7.3020 112.6852 61.5395 38.2462 176.1695 155 R 4.6596 7.5519 119.6924 53.8363 32.4601 175.4854 156 E 4.2471 8.5683 119.4182 55.9743 30.5778 175.6150 157 E 4.4974 8.4181 117.7679 54.3917 31.7182 176.2485 *158 G 3.7099 8.5932 110.1344 45.8789 0.0000 172.3674 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 4.18 0.00 1.41 1.78 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 2 K 8.50 3.97 0.00 1.71 1.72 0.00 1.77 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 1.39 1.46 7.81 3 G 8.68 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 4.53 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 8.98 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 8.14 3.83 0.00 1.71 2.07 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.96 7.81 7 V 8.63 3.92 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 1.18 0.00 0.00 8 I 7.84 3.74 2.06 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 0.61 0.91 0.00 0.00 9 N 8.22 4.28 0.00 2.62 2.66 0.00 0.00 7.08 7.01 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 10 Y 8.05 4.07 0.00 3.22 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 11 L 8.47 3.88 0.00 2.03 1.77 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.56 4.39 0.00 2.76 2.81 0.00 0.00 6.69 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.16 3.87 0.00 1.82 1.97 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.13 3.80 0.00 0.78 1.18 0.91 0.47 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 15 L 7.77 3.99 0.00 1.69 1.84 1.00 1.11 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 8.17 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.01 4.35 0.00 2.92 2.89 0.00 0.00 7.09 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 8.34 4.00 0.00 2.23 2.08 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 2.73 2.86 0.00 19 L 8.17 4.00 0.00 1.79 1.68 0.90 0.99 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 20 V 7.65 3.47 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 1.07 0.00 0.00 0.97 0.00 0.00 21 A 7.90 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.97 3.56 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 0.85 0.00 0.00 23 N 7.79 4.36 0.00 2.78 2.83 0.00 0.00 6.76 8.29 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 24 Q 8.18 3.87 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.22 0.00 25 Y 8.29 4.61 0.00 3.02 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 26 F 8.45 3.80 0.00 3.43 3.13 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 27 L 8.22 3.95 0.00 1.96 1.59 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.35 3.83 0.00 3.47 2.99 0.00 5.70 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 8.10 4.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.62 3.84 0.00 1.76 1.88 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.67 0.00 31 M 7.73 3.45 0.00 1.01 1.63 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.19 0.00 32 F 7.56 4.64 0.00 3.28 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 8.27 3.92 0.00 2.06 1.89 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 N 7.97 4.24 0.00 2.65 2.65 0.00 0.00 7.35 8.35 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 35 W 7.97 4.83 0.00 3.74 3.15 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 0.00 0.00 0.00 36 G 8.54 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 8.22 4.74 0.00 1.89 1.62 1.19 0.62 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 38 K 8.15 3.87 0.00 2.02 1.81 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.57 7.81 39 R 8.15 3.90 0.00 2.12 2.00 0.00 3.55 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 40 L 7.76 4.06 0.00 1.69 1.10 1.09 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.33 4.43 0.00 3.10 3.01 0.00 0.00 7.20 7.90 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 42 D 8.19 4.40 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 7.64 3.36 1.82 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 -0.45 0.00 0.00 0.80 0.00 0.00 44 E 8.54 3.85 0.00 2.48 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 2.58 2.55 0.00 45 Y 8.41 3.94 0.00 2.91 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 46 H 8.38 4.11 0.00 3.26 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.15 3.83 0.00 2.10 1.82 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 1.63 1.75 0.00 48 S 8.18 4.22 0.00 4.09 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 49 I 7.56 3.58 1.82 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.44 0.83 0.00 0.00 50 D 7.95 4.26 0.00 2.98 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 8.20 4.07 0.00 2.02 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 0.00 2.73 2.52 0.00 52 M 7.87 4.03 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 53 K 8.08 3.91 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.03 4.10 0.00 3.41 3.31 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 8.33 4.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.29 4.30 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.91 3.86 0.00 1.82 1.76 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 1.73 0.00 58 Y 7.84 4.31 0.00 3.21 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 3.75 2.03 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 1.57 0.95 0.95 0.00 0.00 60 E 8.41 4.04 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 2.49 0.00 61 R 8.20 4.03 0.00 2.13 2.20 0.00 3.35 0.00 0.00 3.25 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 8.42 3.76 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 0.73 0.99 0.00 0.00 63 L 8.15 4.00 0.00 2.11 1.79 0.95 0.94 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 8.43 4.35 0.00 2.94 3.38 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 65 L 8.11 4.52 0.00 1.85 1.61 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.02 3.86 0.00 2.07 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 2.25 0.00 67 G 8.02 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 0.00 0.00 0.00 68 L 8.01 4.53 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.37 0.00 2.05 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 2.05 2.11 0.00 70 N 9.65 4.71 0.00 2.60 2.81 0.00 0.00 7.08 8.27 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 71 L 8.30 4.61 0.00 1.62 1.63 0.93 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 8.51 4.09 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 D 8.08 4.68 0.00 2.67 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 8.29 4.52 0.00 1.51 1.51 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.46 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 4.04 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 L 8.30 4.26 0.00 1.65 1.57 0.88 0.96 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 78 N 8.76 4.81 0.00 2.65 2.74 0.00 0.00 7.14 7.22 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 79 I 8.12 4.25 1.90 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 1.35 0.95 0.95 0.00 0.00 80 G 8.77 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 0.00 0.00 0.00 81 E 8.60 4.73 0.00 1.98 2.08 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 2.33 2.28 0.00 82 D 7.70 4.91 0.00 2.75 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 83 V 8.41 4.00 2.18 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 1.15 0.00 0.00 1.18 0.00 0.00 84 E 8.19 3.86 0.00 2.00 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 2.34 2.27 0.00 85 E 8.41 3.98 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 86 M 8.23 4.05 0.00 1.80 2.42 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.39 0.00 87 L 8.20 4.15 0.00 2.02 1.71 1.24 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.43 3.93 0.00 1.86 2.00 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 89 S 8.23 4.15 0.00 4.04 4.18 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 90 D 8.43 4.69 0.00 3.06 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 8.27 3.94 0.00 1.84 1.89 0.94 1.12 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 8.35 4.03 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 93 L 8.09 3.98 0.00 1.99 2.06 0.93 0.70 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 94 E 8.62 4.12 0.00 2.25 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 2.69 2.49 0.00 95 L 8.18 4.03 0.00 2.05 1.75 0.95 0.94 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 8.39 4.51 0.00 2.87 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 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 8.49 4.03 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 99 K 8.02 3.84 0.00 2.13 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.66 7.81 100 N 8.09 4.39 0.00 3.01 2.90 0.00 0.00 7.11 6.68 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 0.00 101 L 8.17 4.00 0.00 1.97 1.75 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 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 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 103 E 8.03 3.83 0.00 2.08 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 2.33 2.38 0.00 104 A 7.71 2.90 1.09 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 0.00 0.00 105 I 8.09 3.72 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 1.47 0.96 0.92 0.00 0.00 106 G 7.76 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 7.99 4.13 0.00 3.16 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 0.00 108 A 8.21 3.78 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 7.82 4.13 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.51 4.17 0.00 3.99 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 3.98 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 0.51 0.00 0.00 0.68 0.00 0.00 112 H 7.09 2.79 0.00 3.15 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.30 4.52 0.00 2.63 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 7.55 4.32 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 7.89 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 0.96 0.00 0.00 0.97 0.00 0.00 116 S 8.35 4.20 0.00 4.17 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 0.00 117 R 8.02 3.89 0.00 1.91 2.20 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 1.68 0.00 118 D 8.37 4.32 0.00 2.97 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 8.20 4.00 0.00 2.26 2.02 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 2.48 2.44 0.00 120 M 8.22 4.18 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.84 0.00 121 I 8.18 3.73 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 1.54 0.79 0.92 0.00 0.00 122 E 8.01 3.97 0.00 2.09 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 2.32 2.49 0.00 123 I 7.58 3.56 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.74 0.00 0.00 124 L 8.16 3.95 0.00 1.86 1.86 0.95 1.03 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 8.17 3.90 0.00 2.07 2.12 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 126 D 8.21 4.44 0.00 3.01 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.45 4.14 0.00 2.15 2.25 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 2.68 2.57 0.00 128 E 8.77 4.26 0.00 2.03 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 2.37 2.52 0.00 129 G 8.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.20 4.40 0.00 3.38 3.56 0.00 5.62 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 8.34 3.70 2.06 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 1.45 0.66 0.94 0.00 0.00 132 D 8.37 4.33 0.00 2.95 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 8.27 4.10 0.00 3.52 3.44 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 0.00 134 L 8.40 3.78 0.00 2.01 1.70 1.20 1.06 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 0.00 135 E 8.46 3.90 0.00 2.09 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 2.31 2.49 0.00 136 T 7.89 3.75 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 1.14 0.00 0.00 137 E 7.73 3.68 0.00 1.49 1.56 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 1.47 1.47 0.00 138 L 7.69 3.75 0.00 1.69 1.60 0.86 0.83 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 0.00 139 D 7.98 4.34 0.00 2.77 2.65 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 0.00 140 L 7.97 3.95 0.00 1.83 1.82 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.35 3.37 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.25 0.71 0.00 0.00 142 Q 7.34 3.91 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 143 K 8.06 4.15 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 144 M 8.32 4.40 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 145 G 7.55 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 8.40 3.96 0.00 1.74 1.66 0.94 0.69 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 0.00 147 Q 8.09 3.98 0.00 2.13 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 2.44 2.45 0.00 148 N 8.13 4.35 0.00 2.96 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 7.99 3.92 0.00 3.01 3.16 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 0.00 0.00 0.00 150 L 8.41 4.03 0.00 2.00 1.68 1.03 0.95 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 3.88 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 152 A 7.75 4.09 1.18 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 0.00 0.00 153 Q 7.93 4.23 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 154 I 7.30 4.15 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 1.56 1.20 1.01 0.00 0.00 155 R 7.55 4.66 0.00 1.77 1.84 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 1.51 1.56 0.00 156 E 8.57 4.25 0.00 2.07 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 2.27 2.29 0.00 157 E 8.42 4.50 0.00 2.07 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 2.19 2.27 0.00 *158 G 8.59 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.