NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1478 8.1627 120.2816 54.8184 33.2528 173.8996 2 K 3.9355 8.4463 128.0693 55.7975 32.5191 175.1241 3 G 3.9548 8.7312 115.9553 45.2208 0.0000 171.5561 4 D 4.5763 8.5008 119.7165 54.3980 42.0336 177.1957 5 T 3.8786 8.8063 122.6660 66.7808 68.6107 176.8360 6 K 3.8427 8.1663 121.0263 59.0891 32.2169 178.8597 7 V 3.9028 8.6601 119.0685 66.1730 31.4486 177.8630 8 I 3.7431 7.6932 119.2026 64.7160 36.8983 178.0663 9 N 4.2636 8.2311 117.0215 56.4768 38.3125 177.0676 10 Y 4.1018 7.9982 118.0090 61.1262 37.9721 178.6143 11 L 3.9233 8.5006 120.2657 57.9429 41.6394 179.4234 12 N 4.3337 8.5477 116.8245 56.0437 38.4159 177.4668 13 K 3.8849 8.1914 121.3624 59.2909 32.3173 178.9059 14 L 3.7984 8.1811 119.7000 57.5998 41.3924 178.9642 15 L 4.0105 7.7513 120.7537 58.3271 42.0135 179.2439 16 G 3.6374 8.1921 105.6139 47.9764 0.0000 175.3469 17 N 4.3841 8.0503 118.8063 56.1531 38.5782 177.4319 18 E 4.1134 8.2792 119.9843 59.3623 29.4495 179.3074 19 L 4.0509 8.3131 119.4606 57.6839 41.5956 179.7475 20 V 3.5643 7.7587 117.6006 66.0612 31.5339 177.9376 21 A 3.8288 8.0916 120.4234 55.0261 18.1987 179.3469 22 I 3.7516 8.3392 118.7270 64.9853 37.2838 178.3859 23 N 4.3993 7.9190 117.0290 56.3874 38.4032 177.4408 24 Q 3.8509 8.2723 121.1422 59.3050 29.0979 177.8176 25 Y 4.3589 8.4296 118.3237 60.9212 37.9045 178.1878 26 F 3.8134 8.5053 121.6530 61.0600 39.5076 176.8167 27 L 3.9535 8.1426 119.9431 58.5581 41.8353 178.4116 28 H 3.7745 8.1544 115.7436 58.8349 28.6120 177.2054 29 A 4.1475 8.3057 122.6792 55.7097 18.1378 179.8924 30 R 3.8437 7.8156 115.4337 58.6166 30.0711 179.2605 31 M 3.4353 7.8427 119.4140 58.1096 31.8501 178.4705 32 F 4.5656 7.4811 117.9295 60.5518 39.1286 177.5090 33 K 3.8930 8.2606 119.2871 59.6102 31.7475 178.1429 34 N 4.2799 7.9001 115.8189 56.5872 39.0144 176.4569 35 W 4.7380 7.9567 117.7543 57.6123 29.3718 177.2167 36 G 3.9768 8.3287 108.0095 46.2480 0.0000 174.2930 37 L 4.6634 8.0351 121.8931 52.7211 38.2007 177.0293 38 K 3.8260 7.9438 123.0076 59.8964 32.6719 177.5549 39 R 3.9356 8.3383 119.0129 59.1403 29.9139 178.3530 40 L 4.0955 7.8927 118.8718 57.0553 41.5038 178.8002 41 N 4.5333 8.1433 116.7981 56.8245 39.0524 176.3610 42 D 4.3317 7.9968 120.2272 57.4330 40.9464 179.1365 43 V 3.4440 7.6508 118.1979 66.1351 31.4748 177.9902 44 E 3.8945 8.4660 118.5020 59.2504 29.2744 178.6454 45 Y 3.8508 8.2394 119.8892 61.1666 38.8021 178.1289 46 H 4.2048 8.3296 116.4271 58.3115 28.7045 177.4861 47 E 3.7097 7.7543 120.7932 58.4794 29.2336 178.7461 48 S 4.1175 7.8874 113.6156 61.6023 62.3921 176.2842 49 I 3.5782 7.3450 122.2466 64.3452 36.7691 177.9521 50 D 4.2580 7.6786 119.4822 57.7067 40.7036 179.0329 51 E 4.1981 8.1976 118.6679 59.4328 29.3380 179.3801 52 M 4.0756 8.0435 118.9872 58.3749 32.0296 178.8266 53 K 3.9309 8.2111 118.7536 59.7013 32.1775 179.1393 54 H 4.0982 8.1241 116.2087 58.7722 28.6009 177.4978 55 A 4.2305 8.4835 122.9932 55.3928 18.1394 179.0219 56 D 4.3031 8.2887 116.4199 57.7535 41.2731 178.7738 57 R 3.8700 7.9223 118.3861 59.4461 30.0242 178.7359 58 Y 4.2822 7.8787 116.4734 61.1611 37.9035 178.5416 59 I 3.8024 8.2701 121.1264 64.6188 37.2097 178.4427 60 E 4.0817 8.5167 119.5436 59.1166 29.1631 179.5049 61 R 4.0184 8.0377 118.9256 59.5528 30.1851 178.3768 62 I 3.7679 8.3916 119.9804 64.6585 37.1622 178.4147 63 L 4.0191 8.0806 119.5826 57.7076 41.2179 179.3634 64 F 4.3629 8.1964 119.7426 61.2320 39.6974 176.5122 65 L 4.4220 8.1739 117.7440 54.0451 41.1177 177.2237 66 E 3.9054 7.9729 117.6073 57.3948 27.0273 174.4987 67 G 3.9534 8.1041 108.7460 44.0537 0.0000 173.6521 68 L 4.5292 8.0168 119.1753 52.0161 42.0049 175.0891 69 P 4.3975 0.0000 0.0000 62.5060 31.7889 175.9697 70 N 4.7340 9.4646 122.0933 52.3924 38.9177 173.9440 71 L 4.6398 8.3541 124.2300 54.5629 42.5342 177.3995 72 Q 4.1274 8.5302 121.9472 58.0160 29.3828 175.8600 73 D 4.6507 8.0629 117.3919 52.8616 41.8016 175.2171 74 L 4.5704 8.3102 125.8316 52.7534 43.9752 176.4448 75 G 3.8069 8.4310 115.4239 44.6232 0.0000 171.8868 76 K 4.0802 8.3117 120.7518 55.8274 32.3680 176.6715 77 L 4.1061 8.3338 126.7394 54.4917 42.2757 176.3114 78 N 4.8073 8.8528 120.5850 51.9909 40.1512 174.3864 79 I 3.8353 8.4802 126.4977 64.1218 37.7036 178.2523 80 G 4.1610 8.2490 102.3011 45.8324 0.0000 172.5594 81 E 4.7898 8.5784 115.8953 55.4582 31.9110 176.3587 82 D 5.0273 7.7250 117.7127 50.4015 43.9635 175.9493 83 V 3.9921 8.5359 119.0411 66.7191 31.3267 177.4459 84 E 3.8637 8.2588 117.9029 59.5799 29.4785 178.3424 85 E 3.9984 8.5675 119.2232 59.5502 29.6668 178.7066 86 M 4.1248 8.3600 117.2038 58.2383 31.3826 178.6046 87 L 4.1321 8.5141 120.5617 57.6166 41.7588 179.3881 88 R 3.8958 8.5011 119.1371 59.4516 30.0384 178.5711 89 S 4.1004 8.1739 113.0364 61.3624 62.4219 175.8114 90 D 4.2326 8.1619 121.6697 57.1406 40.5602 178.4836 91 L 3.9970 8.2220 120.6412 58.2551 42.1704 178.8204 92 A 4.0145 8.2095 120.7946 55.1707 18.2612 179.4158 93 L 3.9345 7.9075 118.6472 58.2490 42.1090 179.0626 94 E 4.0630 8.3607 118.6146 59.3565 29.5087 179.1912 95 L 4.0298 8.1016 119.0367 58.1372 41.8238 179.4608 96 D 4.5203 8.3428 118.8371 57.1963 40.7094 179.0989 97 G 3.6432 8.3348 106.2706 47.5549 0.0000 175.7587 98 A 4.0522 8.5100 123.5968 54.6296 18.4925 179.4899 99 K 3.8315 7.9909 118.0022 59.9722 32.2700 178.6725 100 N 4.3929 8.0701 116.2989 56.3649 38.4189 177.3985 101 L 3.9858 8.1189 120.2992 57.8537 41.5911 179.7583 102 R 3.9019 8.2561 118.2379 59.1468 30.0752 178.7716 103 E 3.8467 8.0658 118.4217 59.2826 29.6123 178.7613 104 A 2.8284 7.8520 120.8538 54.7188 18.4184 179.6279 105 I 3.7078 7.8943 118.5789 64.4822 36.9471 178.8985 106 G 3.5968 7.5900 105.3845 47.8796 0.0000 174.8876 107 Y 4.1837 7.9688 122.5506 59.7209 38.8887 177.3886 108 A 3.8288 8.2342 122.0699 55.2158 18.4291 179.0288 109 D 4.1021 7.8995 116.4057 57.4232 41.4055 178.4622 110 S 4.1749 7.7521 113.8298 59.9769 63.0104 175.6400 111 V 4.0649 6.8162 113.9522 60.7503 31.6598 175.6033 112 H 2.8376 7.0453 114.1257 56.6071 27.0749 176.4620 113 D 4.5440 7.3712 121.1181 53.5593 37.5405 176.2905 114 Y 4.3367 7.4244 121.3455 60.5998 38.3950 178.3033 115 V 3.7184 7.8673 119.9960 64.7874 31.8572 178.3053 116 S 4.1665 8.3394 115.8805 61.4186 62.5960 176.7306 117 R 3.9025 8.1033 121.1664 59.4935 29.9882 178.1125 118 D 4.3036 8.2997 117.9543 57.5249 41.3310 177.7233 119 M 4.0008 8.3774 119.0781 59.0945 32.1358 178.1834 120 M 4.1581 8.1931 118.7478 58.3436 32.0944 178.8318 121 I 3.7247 8.1585 120.4733 64.2419 37.3290 178.2186 122 E 3.9549 8.0674 119.0959 59.5808 29.2620 179.5677 123 I 3.5724 7.5517 119.5816 64.0911 37.0761 178.1596 124 L 3.9352 8.1370 121.4424 58.1306 42.0068 178.9945 125 R 3.8905 8.0023 118.5914 59.6552 30.0842 178.2449 126 D 4.3669 8.0177 118.3633 57.3828 40.7576 178.7053 127 E 3.9511 8.2973 119.3021 59.3309 29.4482 178.9385 128 E 4.1878 8.7660 120.0142 59.1048 29.6228 179.1435 129 G 3.6430 7.9584 105.5824 48.0807 0.0000 175.4514 130 H 4.5696 8.1100 118.6276 58.6631 28.6784 177.7762 131 I 3.7934 8.3415 122.0751 64.5810 37.0033 177.7018 132 D 4.3644 8.3131 118.6780 57.4089 41.0156 178.0498 133 F 4.1907 8.3325 120.8628 61.3975 39.3750 176.9724 134 L 3.7442 8.2297 118.3921 57.8636 41.5024 179.3018 135 E 3.9154 8.3453 118.5186 59.7608 29.3386 179.6787 136 T 3.8078 7.9228 115.4750 66.6187 68.5328 176.3925 137 E 3.8666 7.7722 120.3241 59.5677 29.2826 179.5186 138 L 3.7963 7.8682 118.8363 57.9206 41.5507 179.4463 139 D 4.3986 8.1690 118.7903 57.1698 40.6328 178.7291 140 L 3.9720 8.0722 119.7436 57.7976 41.6673 179.3993 141 I 3.4009 7.4922 119.7050 64.6057 36.7591 178.5123 142 Q 3.9766 7.3666 116.0735 58.7619 28.6453 178.4993 143 K 4.1471 8.2117 119.2058 58.8808 32.2694 178.4255 144 M 4.4002 8.3347 114.6189 53.9305 32.5547 177.1245 145 G 4.1189 7.5811 105.8533 46.0145 0.0000 174.4025 146 L 3.9789 8.4362 121.7336 58.0313 42.1529 179.3634 147 Q 3.9933 8.0728 117.4186 59.3360 28.8812 178.6796 148 N 4.3809 8.1466 116.7832 56.3025 38.3695 176.7441 149 Y 3.9903 7.9524 120.2336 60.5960 39.1410 177.7905 150 L 4.0601 8.4248 120.3204 57.9439 41.6509 179.2209 151 Q 3.8895 8.1109 119.1774 59.1164 28.7219 177.8467 152 A 4.1201 7.5116 119.1371 53.5545 18.7051 178.3001 153 Q 4.2095 7.8313 116.0423 55.9004 29.0767 177.7450 154 I 3.9176 7.2214 120.9392 63.1190 37.4007 176.5979 155 R 4.6284 7.5206 117.4672 53.9187 31.9467 175.9277 156 E 4.1177 8.4051 119.1116 56.0017 30.4832 175.8006 157 E 4.1028 8.4967 121.8396 55.2523 30.5076 176.5216 *158 G 3.7272 8.5978 114.1302 45.8883 0.0000 172.1831 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 1.80 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 2.52 2.43 0.00 2 K 8.45 3.94 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 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.73 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 4.58 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 8.81 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 3.84 0.00 1.71 1.92 0.00 1.44 0.00 0.00 1.08 0.00 0.00 2.50 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.00 7.81 7 V 8.66 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 1.13 0.00 0.00 1.17 0.00 0.00 8 I 7.69 3.74 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 8.23 4.26 0.00 2.58 2.67 0.00 0.00 7.08 7.07 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 10 Y 8.00 4.10 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 8.50 3.92 0.00 2.01 1.77 1.10 0.81 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 7.87 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 13 K 8.19 3.88 0.00 1.74 2.00 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.18 3.80 0.00 0.96 1.15 0.93 0.50 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 7.75 4.01 0.00 1.70 1.85 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.19 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 17 N 8.05 4.38 0.00 2.97 2.91 0.00 0.00 7.05 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.28 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 2.76 2.89 0.00 19 L 8.31 4.05 0.00 1.82 1.72 0.95 0.90 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 7.76 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 1.05 0.00 0.00 0.95 0.00 0.00 21 A 8.09 3.83 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 22 I 8.34 3.75 2.06 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 1.12 0.91 0.00 0.00 23 N 7.92 4.40 0.00 2.84 2.86 0.00 0.00 6.76 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 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 2.11 0.00 25 Y 8.43 4.36 0.00 3.19 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 3.81 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 8.14 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 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.15 3.77 0.00 3.50 3.26 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 4.15 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 7.82 3.84 0.00 1.75 1.89 0.00 3.31 0.00 0.00 3.10 7.64 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 3.44 0.00 0.86 1.51 0.00 0.00 0.00 0.00 0.00 1.64 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 7.48 4.57 0.00 3.31 3.21 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 0.00 33 K 8.26 3.89 0.00 2.07 1.93 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 N 7.90 4.28 0.00 2.68 2.68 0.00 0.00 7.34 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 35 W 7.96 4.74 0.00 3.71 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 36 G 8.33 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 8.04 4.66 0.00 2.17 1.64 1.05 0.80 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 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 1.57 7.81 39 R 8.34 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 7.89 4.10 0.00 1.64 1.01 1.04 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.14 4.53 0.00 3.10 3.00 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 8.00 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 7.65 3.44 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 -0.03 0.00 0.00 0.83 0.00 0.00 44 E 8.47 3.89 0.00 2.28 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 3.09 0.00 45 Y 8.24 3.85 0.00 2.94 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 46 H 8.33 4.20 0.00 3.28 3.26 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 7.75 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 1.75 1.91 0.00 48 S 7.89 4.12 0.00 4.01 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 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 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 8.20 4.20 0.00 2.20 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 0.00 2.74 2.82 0.00 52 M 8.04 4.08 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 2.56 0.00 53 K 8.21 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 2.96 0.00 0.00 0.00 0.00 1.43 1.65 7.81 54 H 8.12 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 4.23 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 8.29 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 3.13 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 1.75 0.00 58 Y 7.88 4.28 0.00 3.22 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 0.90 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 0.92 0.95 0.00 0.00 60 E 8.52 4.08 0.00 2.03 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 8.04 4.02 0.00 2.14 2.22 0.00 3.37 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 8.39 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 0.77 0.99 0.00 0.00 63 L 8.08 4.02 0.00 2.11 1.80 0.95 0.95 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 8.20 4.36 0.00 2.98 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 8.17 4.42 0.00 1.70 1.62 0.99 0.58 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 8.10 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 68 L 8.02 4.53 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 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 4.73 0.00 2.58 2.79 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 8.35 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 8.53 4.13 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 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 1.07 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 8.85 4.81 0.00 2.61 2.69 0.00 0.00 7.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.48 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 0.91 0.92 0.00 0.00 80 G 8.25 4.16 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 0.00 0.00 0.00 81 E 8.58 4.79 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 82 D 7.73 5.03 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 8.54 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 1.25 0.00 0.00 1.25 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 8.57 4.00 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 8.36 4.12 0.00 2.30 1.76 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.95 0.00 87 L 8.51 4.13 0.00 2.04 1.79 1.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.50 3.90 0.00 2.11 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 1.64 0.00 89 S 8.17 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 8.16 4.23 0.00 3.11 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 8.22 4.00 0.00 1.81 1.88 0.97 0.83 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 8.21 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 3.93 0.00 1.88 1.79 0.90 0.82 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 8.36 4.06 0.00 2.27 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 8.10 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 8.34 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 8.33 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 8.51 4.05 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 99 K 7.99 3.83 0.00 2.05 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 7.12 6.40 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 0.00 101 L 8.12 3.99 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 8.26 3.90 0.00 1.97 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 8.07 3.85 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 2.83 0.98 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 0.00 105 I 7.89 3.71 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 1.17 0.91 0.00 0.00 106 G 7.59 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.97 4.18 0.00 3.15 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 0.00 108 A 8.23 3.83 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 4.10 0.00 2.88 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 7.75 4.17 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 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 0.53 0.00 0.00 0.66 0.00 0.00 112 H 7.05 2.84 0.00 3.17 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 2.64 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 7.42 4.34 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 7.87 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 1.07 0.00 0.00 0.97 0.00 0.00 116 S 8.34 4.17 0.00 4.20 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 8.10 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 2.83 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 8.38 4.00 0.00 2.22 2.02 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 2.47 2.45 0.00 120 M 8.19 4.16 0.00 2.17 2.27 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 8.16 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 0.68 0.91 0.00 0.00 122 E 8.07 3.95 0.00 2.29 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 3.57 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 1.04 0.49 0.76 0.00 0.00 124 L 8.14 3.94 0.00 1.86 1.86 0.99 0.93 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 0.00 125 R 8.00 3.89 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 8.02 4.37 0.00 2.99 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 8.30 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 8.77 4.19 0.00 2.25 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 7.96 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 8.11 4.57 0.00 3.53 3.60 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 8.34 3.79 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 8.33 4.19 0.00 3.26 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 0.00 134 L 8.23 3.74 0.00 1.94 1.73 1.26 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 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 2.50 0.00 136 T 7.92 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 7.77 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 1.72 0.00 138 L 7.87 3.80 0.00 1.73 1.63 0.90 1.05 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 4.40 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 8.07 3.97 0.00 1.90 1.86 1.01 0.80 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 7.49 3.40 1.73 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.02 0.73 0.00 0.00 142 Q 7.37 3.98 0.00 2.13 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 8.21 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 8.33 4.40 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 145 G 7.58 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.44 3.98 0.00 1.75 1.67 0.96 0.72 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 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 8.15 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 7.95 3.99 0.00 3.03 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 8.42 4.06 0.00 2.02 1.69 1.06 0.84 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 8.11 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 7.51 4.12 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 7.83 4.21 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.75 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 154 I 7.22 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 8.41 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 4.10 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.