NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2048 8.1633 120.2855 54.6966 33.1688 174.2089 2 K 4.0415 8.4956 126.3473 56.1728 32.4588 175.7557 3 G 3.9430 8.6780 113.6650 44.8403 0.0000 172.0122 4 D 4.5522 8.4810 119.6552 54.4373 41.9494 176.9835 5 T 3.8691 8.9107 122.9428 66.9047 68.5783 176.6412 6 K 3.8589 8.1781 120.8345 59.0988 32.2271 178.9037 7 V 3.9068 8.5465 118.9295 66.1526 31.4294 177.9168 8 I 3.7509 7.7221 119.2903 64.6334 36.8847 178.1051 9 N 4.2405 8.2483 117.1046 56.4230 38.3375 177.0016 10 Y 4.0877 7.9621 118.0252 61.1810 38.0324 178.6769 11 L 3.9131 8.5848 120.0840 58.0073 41.6403 179.4864 12 N 4.3712 8.4763 116.6697 55.9612 38.4271 177.4728 13 K 3.8651 8.2629 121.5236 59.4169 32.3254 178.9216 14 L 3.8351 8.2299 119.6049 57.6297 41.3876 179.0688 15 L 4.0247 7.8906 120.7439 58.1027 41.9375 179.2421 16 G 3.6138 8.1652 105.7678 47.8957 0.0000 175.2782 17 N 4.3433 8.0114 119.1051 56.1231 38.6091 177.3554 18 E 4.0768 8.2796 119.8111 59.4020 29.4575 179.2643 19 L 3.9943 8.1824 119.2018 57.8359 41.6297 179.7941 20 V 3.5831 7.7609 117.5623 66.0825 31.5045 177.8986 21 A 3.8722 8.2029 120.5325 55.0566 18.1502 179.4686 22 I 3.7634 8.4086 118.6359 64.8702 37.1893 178.4468 23 N 4.3825 7.9137 117.1317 56.4074 38.3811 177.4204 24 Q 3.8378 8.3037 121.1817 59.3099 29.0661 177.9014 25 Y 4.3396 8.4648 118.3251 60.9310 37.9161 177.9866 26 F 3.8203 8.5813 121.7175 61.0753 39.4912 176.8116 27 L 3.9675 8.2907 120.0797 58.5788 41.8462 178.4326 28 H 3.8282 8.2414 115.8440 58.8140 28.6374 177.1951 29 A 4.1751 8.3137 122.7462 55.7610 18.1074 179.9624 30 R 3.8919 7.8268 115.5620 58.7635 30.1373 179.3065 31 M 3.5984 7.8259 119.2510 58.2083 31.8665 178.4005 32 F 4.5795 7.7019 118.2542 60.6617 39.1390 177.6660 33 K 3.9317 8.1643 119.0619 59.5452 31.7927 178.2367 34 N 4.2919 8.0537 116.1920 56.8537 38.9881 176.6145 35 F 4.7661 8.2151 117.9367 59.0514 38.9694 176.4868 36 G 3.9837 8.1110 106.2463 45.8664 0.0000 175.2159 37 L 4.4817 8.0753 122.1959 52.5923 38.2304 176.8959 38 K 3.8119 7.9474 122.9710 59.9497 32.5807 177.5120 39 R 3.9325 8.2712 118.8741 59.2626 29.9506 178.4566 40 L 4.1100 7.9252 118.9331 57.3170 41.4487 178.8334 41 N 4.5644 8.1806 116.7779 56.7846 38.9923 176.4664 42 D 4.3128 8.0614 120.2175 57.4007 41.1035 179.0011 43 V 3.3608 7.6181 118.4255 66.0705 31.4129 177.9696 44 E 3.8369 8.3773 118.4452 59.2224 29.3034 178.5613 45 Y 3.8194 8.2157 119.9160 61.1525 38.4498 178.0660 46 H 4.1965 8.3180 115.9890 57.8619 28.7040 177.1860 47 E 3.7748 7.4997 120.2778 58.1452 29.5318 178.3031 48 S 4.0798 7.8619 113.6779 61.5935 62.4332 176.2601 49 I 3.5604 7.3441 122.2330 64.3739 36.8429 177.8537 50 D 4.1992 7.4658 118.0178 57.4968 40.9981 178.2914 51 E 4.0829 8.1262 118.8678 59.2842 29.3132 179.2703 52 M 4.0580 7.9906 119.0952 58.3415 32.0411 178.6630 53 K 3.8792 8.0522 118.5615 59.8451 32.2048 179.1025 54 H 4.1002 8.0087 115.8580 58.7411 28.6046 177.4819 55 A 4.2362 8.3630 122.9402 55.4561 18.2090 178.9636 56 D 4.3155 8.3942 116.6401 57.8057 41.2406 178.8604 57 R 3.8901 7.8741 118.3156 59.3812 29.9998 178.6826 58 Y 4.3208 7.9083 116.4895 61.2447 37.9103 178.6572 59 I 3.8001 8.2734 121.0817 64.5834 37.1632 178.4338 60 E 4.0664 8.4394 119.4565 59.1930 29.2134 179.4286 61 R 4.0342 8.1707 118.8757 59.5161 30.1933 178.4940 62 I 3.7714 8.4871 119.9527 64.5674 37.1450 178.4168 63 L 4.0485 8.0708 119.6909 57.6926 41.2138 179.3611 64 F 4.4088 8.1989 119.7344 61.3099 39.7504 176.5395 65 L 4.5679 8.1897 117.7638 54.0456 41.1399 177.2550 66 E 3.8664 7.9979 117.6305 57.3767 27.0550 174.5901 67 G 3.9237 8.1664 108.9357 44.1574 0.0000 173.7661 68 L 4.5238 8.0071 119.1823 52.0049 41.9235 175.0681 69 P 4.3792 0.0000 0.0000 62.5470 31.7665 176.0486 70 N 4.7219 9.4608 122.1778 52.4081 38.7745 173.8459 71 L 4.6295 8.3341 124.1511 54.5561 42.4391 177.4586 72 Q 4.1488 8.5935 122.1837 58.0939 29.4028 175.9450 73 D 4.6693 8.0383 116.8537 52.9566 41.9169 175.2771 74 L 4.5929 8.2833 125.2338 52.8081 44.1687 176.5948 75 G 3.8185 8.4377 115.3939 44.6055 0.0000 171.8658 76 K 4.0904 8.3185 120.7643 55.8102 32.4303 176.6828 77 L 4.1153 8.3658 126.8014 54.3855 42.3121 175.9872 78 N 4.8360 8.8438 121.1817 52.1277 40.3351 173.9783 79 I 3.9437 8.5930 126.6129 63.6654 37.9491 177.9002 80 G 4.1699 8.1156 102.8005 45.7846 0.0000 172.5124 81 E 4.5862 8.6811 117.2113 56.2846 31.9395 176.8068 82 D 5.0841 7.6761 117.1375 50.9255 43.3798 176.7921 83 V 3.9636 8.4451 119.1818 66.6746 31.2977 177.5197 84 E 3.8419 8.2042 117.8955 59.5051 29.5139 178.2186 85 E 3.9784 8.3973 119.2884 59.5518 29.6299 178.7215 86 M 4.0804 8.2620 117.0839 58.2301 31.4021 178.5955 87 L 4.1495 8.4552 120.5492 57.6411 41.7491 179.4794 88 R 3.9074 8.4597 119.1130 59.3448 30.0959 178.5614 89 S 4.0918 8.2082 113.1682 61.3491 62.3874 175.8196 90 D 4.2190 8.1467 121.6401 57.1271 40.4931 178.4588 91 L 3.9706 8.1905 120.5862 58.3004 42.1691 178.7842 92 A 3.9827 8.2154 120.7928 55.2578 18.2435 179.4059 93 L 3.9372 7.8715 118.4408 58.1312 42.0672 178.8401 94 E 4.0537 8.2693 119.4747 59.1534 29.7320 178.6797 95 L 4.0333 8.2358 119.3082 58.0443 41.8228 179.3162 96 D 4.5310 8.3509 118.9616 57.1608 40.7227 179.1019 97 G 3.6366 8.3111 106.3052 47.6260 0.0000 175.7157 98 A 4.0762 8.4630 123.5920 54.6104 18.4327 179.5706 99 K 3.8509 7.9488 117.7137 59.9670 32.2525 178.8258 100 N 4.4251 8.0700 116.1864 56.1778 38.3178 177.4500 101 L 3.9810 8.0567 120.4257 57.8891 41.6538 179.6837 102 R 3.9005 8.1947 118.1363 59.2174 29.8755 178.7899 103 E 3.8515 8.1094 118.5572 59.2454 29.6064 178.7132 104 A 2.8202 7.9181 120.9810 54.7823 18.3940 179.6417 105 I 3.7112 8.0683 118.8421 64.4640 36.9435 178.9029 106 G 3.5943 7.6044 105.2985 47.8401 0.0000 174.9157 107 Y 4.0988 7.7440 121.5227 60.3315 38.8997 177.3418 108 A 3.8072 8.1865 122.0561 55.2715 18.3804 179.0257 109 D 4.0738 7.9016 116.4420 57.4611 41.1105 178.5652 110 S 4.1567 7.5186 112.9447 60.1739 63.2579 175.6901 111 V 4.0026 6.8698 113.7517 60.7462 31.6345 175.6665 112 H 2.8038 7.1351 114.3723 56.5840 27.0332 176.4719 113 D 4.5541 7.3987 121.1095 53.6157 37.5215 176.2556 114 Y 4.3240 7.4805 121.4547 60.6327 38.4366 178.2421 115 V 3.7178 7.8881 119.9957 64.7958 31.6996 178.3400 116 S 4.1632 8.3376 115.7582 61.4063 62.6352 176.7072 117 R 3.8772 8.0757 121.2040 59.3957 29.9662 177.9643 118 D 4.3090 8.4393 118.1196 57.6196 41.2832 177.7030 119 M 3.9664 8.1952 118.6990 59.2258 32.1135 178.1627 120 M 4.1534 8.2538 118.6996 58.3993 32.0833 178.8612 121 I 3.7279 8.2582 120.5713 64.2252 37.2295 178.2950 122 E 3.9617 8.1106 119.2793 59.4822 29.2298 179.4667 123 I 3.5409 7.6232 119.7395 64.0994 37.1228 178.1654 124 L 3.9178 8.1377 121.4137 58.1762 41.9427 178.7699 125 R 3.8957 8.0487 118.5504 59.8386 29.9984 178.1270 126 D 4.3419 8.0630 118.3692 57.3996 40.7208 178.7063 127 E 3.9407 8.3497 119.3217 59.4369 29.3977 179.1542 128 E 4.1400 8.8156 119.2281 59.1920 29.4594 179.5952 129 G 3.7082 8.0656 105.7589 48.2727 0.0000 175.3761 130 H 4.4308 8.0977 119.0019 58.5369 28.6929 177.8051 131 I 3.8091 8.2761 121.9722 64.5602 37.0285 177.6330 132 D 4.3991 8.4472 118.9652 57.2759 40.9915 178.2660 133 W 4.1435 8.3740 128.4339 60.5129 30.8184 177.7056 134 L 3.7495 8.5515 119.1853 57.9223 41.1466 179.3819 135 E 3.9280 8.5093 118.6338 59.7435 29.3345 179.5874 136 T 3.7856 7.8434 115.5146 66.6636 68.5256 176.4286 137 E 3.7624 7.6864 120.3029 59.4366 29.2511 179.5349 138 L 3.7780 7.7099 118.8038 57.7776 41.5478 179.3857 139 D 4.2893 8.1394 118.9212 57.1295 40.6621 178.6214 140 L 3.9783 8.1361 119.9453 57.8808 41.6793 179.5288 141 I 3.4637 7.4782 119.5516 64.4778 36.7521 178.5529 142 Q 3.9339 7.4106 117.4832 58.8981 28.6302 178.6609 143 K 4.1393 8.2628 119.0476 58.9718 32.2923 178.5201 144 M 4.3586 8.4181 114.8749 54.0518 32.4632 177.1393 145 G 4.1107 7.5854 106.0009 45.9804 0.0000 174.3079 146 L 3.9555 8.4807 121.9023 58.0903 42.1263 179.4241 147 Q 3.9986 8.0689 117.3278 59.3241 28.8325 178.6551 148 N 4.3791 8.1465 116.8073 56.2516 38.3662 176.7100 149 Y 3.9663 7.9982 120.2554 60.5989 39.1572 177.8134 150 L 4.0697 8.3901 120.2256 58.0586 41.7046 179.1617 151 Q 3.9288 8.1052 119.0409 59.3030 28.6742 178.0251 152 A 4.1652 7.5825 119.1162 53.4227 18.6994 178.2162 153 Q 4.3174 7.8811 116.2151 55.3902 29.1586 177.5862 154 I 3.8356 7.3470 121.7571 63.9867 37.3692 176.6690 155 R 4.5928 7.5242 117.2565 54.1037 31.7917 176.0457 156 E 4.1394 8.3682 118.7192 55.9469 30.5261 175.8480 157 E 4.0828 8.5138 121.9362 55.3416 30.4497 176.5737 *158 G 3.7284 8.6049 114.1668 45.8877 0.0000 172.1650 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 4.20 0.00 1.45 1.77 0.00 0.00 0.00 0.00 0.00 -0.33 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 4.04 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 8.68 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 4.55 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 8.91 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 8.18 3.86 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 0.85 1.06 7.81 7 V 8.55 3.91 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 0.98 0.00 0.00 1.21 0.00 0.00 8 I 7.72 3.75 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 0.69 0.92 0.00 0.00 9 N 8.25 4.24 0.00 2.59 2.67 0.00 0.00 7.06 7.06 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 10 Y 7.96 4.09 0.00 3.21 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 8.58 3.91 0.00 2.00 1.77 1.09 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 8.48 4.37 0.00 2.89 2.81 0.00 0.00 6.67 8.64 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 13 K 8.26 3.87 0.00 1.77 1.95 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.23 3.84 0.00 0.90 1.20 0.95 0.49 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 7.89 4.02 0.00 1.67 1.83 1.07 1.14 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 16 G 8.17 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.01 4.34 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 8.28 4.08 0.00 2.26 2.29 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 0.00 2.78 2.90 0.00 19 L 8.18 3.99 0.00 1.93 1.73 0.95 1.03 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 20 V 7.76 3.58 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 1.10 0.00 0.00 0.99 0.00 0.00 21 A 8.20 3.87 1.49 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 0.00 0.00 22 I 8.41 3.76 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 7.96 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 24 Q 8.30 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 8.46 4.34 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 8.58 3.82 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 8.29 3.97 0.00 1.96 1.60 0.90 1.20 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 28 H 8.24 3.83 0.00 3.53 3.19 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 8.31 4.18 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 7.83 3.89 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 1.47 1.82 0.00 31 M 7.83 3.60 0.00 1.36 1.73 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 2.58 2.33 0.00 32 F 7.70 4.58 0.00 3.33 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 33 K 8.16 3.93 0.00 2.00 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 4.29 0.00 2.73 2.77 0.00 0.00 7.32 7.62 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 35 F 8.22 4.77 0.00 3.32 3.05 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 36 G 8.11 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 8.08 4.48 0.00 2.12 1.63 1.06 0.75 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 7.95 3.81 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 3.05 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.27 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 7.93 4.11 0.00 1.68 1.00 1.10 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.56 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 8.06 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 7.62 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 -0.61 0.00 0.00 0.79 0.00 0.00 44 E 8.38 3.84 0.00 2.31 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 2.60 3.15 0.00 45 Y 8.22 3.82 0.00 2.92 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.32 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 7.50 3.77 0.00 1.53 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 7.86 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 7.34 3.56 1.68 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 0.85 0.66 0.84 0.00 0.00 50 D 7.47 4.20 0.00 2.90 2.60 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 51 E 8.13 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 2.67 2.82 0.00 52 M 7.99 4.06 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.05 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 8.05 3.88 0.00 1.90 1.83 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 8.01 4.10 0.00 3.56 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 1.46 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 0.00 0.00 56 D 8.39 4.32 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.87 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 1.58 1.75 0.00 58 Y 7.91 4.32 0.00 3.23 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 59 I 8.27 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 0.84 0.95 0.00 0.00 60 E 8.44 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 8.17 4.03 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 1.87 0.00 62 I 8.49 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 0.72 0.99 0.00 0.00 63 L 8.07 4.05 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 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.20 4.41 0.00 3.00 3.34 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 65 L 8.19 4.57 0.00 1.80 1.61 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.87 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 8.17 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.52 0.00 1.60 1.63 0.92 0.98 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 4.38 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 9.46 4.72 0.00 2.59 2.80 0.00 0.00 7.08 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 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 8.59 4.15 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 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 3.82 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 0.00 0.00 0.00 76 K 8.32 4.09 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 4.12 0.00 1.64 1.55 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.84 4.84 0.00 2.62 2.68 0.00 0.00 7.18 7.46 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 79 I 8.59 3.94 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 0.95 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 8.68 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 5.08 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 2.20 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 1.24 0.00 0.00 1.23 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 3.98 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 8.26 4.08 0.00 2.21 1.78 0.00 0.00 0.00 0.00 0.00 1.44 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 8.46 4.15 0.00 2.02 1.77 1.29 0.61 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 8.46 3.91 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 8.21 4.09 0.00 4.06 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 8.15 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 8.19 3.97 0.00 1.82 1.89 0.98 0.90 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 8.22 3.98 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 7.87 3.94 0.00 1.87 1.81 0.90 0.50 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 8.24 4.03 0.00 2.09 1.73 0.96 1.32 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 8.35 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 8.31 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 8.46 4.08 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 7.95 3.85 0.00 2.04 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 8.07 4.43 0.00 2.99 2.91 0.00 0.00 7.11 6.06 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 0.00 101 L 8.06 3.98 0.00 2.02 1.74 0.98 0.85 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 8.19 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 1.97 0.00 103 E 8.11 3.85 0.00 2.18 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 2.35 2.37 0.00 104 A 7.92 2.82 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 8.07 3.71 2.02 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 1.02 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 7.74 4.10 0.00 3.07 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 8.19 3.81 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 0.00 109 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 7.52 4.16 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.87 4.00 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 0.54 0.00 0.00 0.63 0.00 0.00 112 H 7.14 2.80 0.00 3.15 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 7.40 4.55 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 3.10 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 0.00 115 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 0.90 0.00 0.00 0.98 0.00 0.00 116 S 8.34 4.16 0.00 4.19 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 8.08 3.88 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 1.68 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 8.20 3.97 0.00 2.26 2.04 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 2.48 2.47 0.00 120 M 8.25 4.15 0.00 2.15 2.27 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 2.93 2.81 0.00 121 I 8.26 3.73 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 0.88 0.91 0.00 0.00 122 E 8.11 3.96 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 3.54 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 0.55 0.73 0.00 0.00 124 L 8.14 3.92 0.00 1.85 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 8.05 3.90 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 8.06 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 8.35 3.94 0.00 2.12 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 2.61 2.55 0.00 128 E 8.82 4.14 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 8.07 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 0.00 130 H 8.10 4.43 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 8.28 3.81 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 0.91 0.97 0.00 0.00 132 D 8.45 4.40 0.00 2.91 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 8.37 4.14 0.00 3.54 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 8.55 3.75 0.00 2.11 1.76 1.35 1.42 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 0.00 135 E 8.51 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 7.84 3.79 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 137 E 7.69 3.76 0.00 1.56 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 3.78 0.00 1.73 1.61 0.88 0.74 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 8.14 3.98 0.00 1.87 1.85 0.95 0.75 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 7.48 3.46 1.72 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 -0.03 -0.07 0.71 0.00 0.00 142 Q 7.41 3.93 0.00 2.06 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 2.49 2.49 0.00 143 K 8.26 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 8.42 4.36 0.00 2.16 2.20 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 2.60 2.84 0.00 145 G 7.59 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 3.96 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 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.07 4.00 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 6.68 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 8.00 3.97 0.00 3.00 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 8.39 4.07 0.00 2.04 1.70 1.06 0.77 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 0.00 151 Q 8.11 3.93 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 7.58 4.17 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 7.88 4.32 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 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 0.45 0.90 0.00 0.00 155 R 7.52 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 8.37 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 8.51 4.08 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 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.